Chemical siences F - Indian Science Congress

Section IV : Chemical Sciences

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PROCEEDINGSOF THE

107TH INDIAN SCIENCE CONGRESS Bangalore, 2020

PART IISECTION OF CHEMICAL SCIENCES

President: Prof. Diwan S. Rawat

CONTENTS

I. Presidential Address 5

II. Abstracts of Platinum Jubilee Lectures / Award Lectures 71

III Abstracts of Invited Lectures 83

IV. Abstracts of Oral Presentations 141

V. Abstracts of Poster Presentations 153

VI. List of Past Sectional Presidents 349


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107th Indian Science Congress

January 3-7, 2020 Bangalore

I

PRESIDENTIAL ADDRESS

President: Prof. Diwan S. Rawat


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PRESIDENTIAL ADDRESS

Hybrid strategy: A versatile approach for design and developmentof antimalarial and nanocatalysis

Professor Diwan S. RawatDepartment of Chemistry, University of Delhi, Delhi-110007

E-mail: [email protected]

1. INTRODUCTION

Among the parasitic diseases malaria, is the third most infectious disease afterHIV and tuberculosis.1 According to World Health Organization (WHO), WorldMalaria Report 2018, an estimated 219 million new clinical cases of malaria werereported worldwide which shows an increase in 2 million compared to 2016.2 Thereport also approximated that around half of the world’s population is at a risk ofsuffering from malaria. The virulent nature of malaria is considered as a major setbackfor economic development of low-income countries as it severely affects their GDP.3,4

Malaria occurs when protozoan parasites are transmitted to humans through the bitesof infected female Anopheles mosquitoes.5,6 Among the five species of Plasmodium(P. falciparum, P. vivax, P. malariae, P. ovale and P. knowlesi), P. falciparum and P.vivax are the most common while P. falciparum is considered as the most lethal speciesof the malaria parasite and is responsible for most of the malaria related deaths7 andaccounts for half of all clinical cases of malaria.8 Historically, cinchona bark was usedfor the treatment of fever and malaria since 1600s.9 In the year 1820 quinine wasisolated from cinchona tree by Pierre Joseph Pelletier and Joseph Caventou.10 Its totalsynthesis was achieved by R. B. Woodward and W. E. Doering in 1944. 11 Due to highmedicinal potential of cinchona base, Dutch banned the export of cinchona and thatprompted German’s to undertake a synthesis program to identify novel syntheticantimalarial.12 Hans Andersag and co-workers in 1934 synthesized a molecule thatwas very active against mice model and considered to be toxic in humans. This moleculewas named Resochin, but Bayer shelved this drug for more than ten years due totoxicity issues, which is known as Resochin error.13 After the second world war theUS government started a synthetic program on synthetic antimalarials and identified

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molecule having same structure as resochin which has significant therapeutic potentialas antimalarial, and it was named Chloroquine CQ(2). 14 Since then 4-aminoquinolineclass of therapeutics remained a drug of choice for combating malaria even after severaldecades of drug development efforts.+15,16 The success of this antimalarialpharmacophore is based on its excellent clinical efficacy, ease of administration, lowtoxicity and cheap synthesis17. These features make this pharmacophore so interestingthat it’s very difficult to abandon it.

Figure 1. aminoquinolines

Amodiaquine (AQ, 3) was another drug that was developed during 1948 whichwas considered to be an alternative of chloroquine (2). But, amodiaquine (3) was laterwithdrawn from the market due to its toxicity. The toxicity of AQ was attributed to itsability to oxidize in lever in the presence of P450 Cytocrome enzyme leading to theformation of quinoneimine on the same pattern as paracetamol. In order to make aless toxic drug based on AQ, one would think to swap the position of -OH and -NEt2,by doing so possibility of the formation quinoneimine metabolite be ruled out andhence one would expected a safer drug out of this approach(Figure 2). In fact thisapproach resulted in many potent antimalarials.

107th Indian Science Congress, Bangalore 2020 : Presidential Address


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Figure 2. Mechanism based drug design

Further, using CQ (2) and amodiaquine (3) as lead; several other 4-aminoquinolineswere developed with improved antimalarial activity and less toxicity such ashydroxychloroquine (4), tebuquine (5), isoquine (6) and piperaquine (7) (Figure 3). Inthe last few years a plethora of 7-chloro-4-aminoquinolines modified at the terminalpositions were synthesized and evaluated for their antimalarial activity against differentstages of malarial infection by various research groups across the world.1-,2,3,4

Figure 3. Development of synthetic aminoquinolines

The structure activity relationship (SAR) studies on 4-aminoquinolines suggestthat 7-chloro and 4-amino groups in quinoline nucleus are essential for antimalarialactivity (Figure 4). Both of these groups are critical for inhibition of hemozoinformation, and help the drug to accumulate in the acidic food vacuole of the parasite.1-

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,2,3,4,5 7-Chloro group is important for antimalarial activity of 4-aminoquinolines, assubstitution of 7-Chloro group by electron donating (NH2, OH, OCH3 and CH3) orelectron withdrawing groups (CF3 and NO2) reduces antimalarial activity.6 4-Aminopyridine substructure of 4-aminoquinoline is essential as it helps in bindingwith the heme.7 The presence of alkyl side chain is essential and experimental datashows that both shortening (2-3 carbon atoms) and lengthening (10-12 carbon atoms)of the side chain in CQ lead to the compounds with retained antimalarial activityagainst CQ-resistant strains of P. falciparum.8,9 Substitution of diethyl group bymetabolically stable side chain of tert-butyl group as well as the heterocyclicfunctionality such as piperidyl, pyrrolidinyl and morpholinyl functionality led to anincrease in antimalarial activity (Figure 4).31

Figure 4. SAR of 4-aminoquinolines

Mechanistic studies revealed that, CQ and other 4-aminoquinolines act byinterfering with the parasite feeding process. Parasites degrade the haemoglobin intosmaller peptides and further into amino acids and use them for their own survival andmultiplication inside the cell.1 In this process, as a by-product, the hemeferriprotoporphyrin-IX (Fp- IX) is generated which is very toxic to the parasite butbecause of a unique mechanism, it gets detoxified within the food vacuole of theparasite by crystallizing to insoluble granules of non-toxic material called hemozoin.CQ, being a diprotic weak base can pass through the membranes of the erythrocyte



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(pH 7.4) and that of the parasite in its un-protonated form and eventually accumulatesin its food vacuole (pH 5). In the acidic food vacuole, it becomes protonated and as aresult it does not penetrate the membrane again. There, it inhibits the process offormation of hemozoin, by forming a complex with heme which in turn leaves Fp-IXmoiety in an uncrystallised form. This along with CQ-Fp-IX complex has a toxicaffect and eventually kills the parasite.2 This unique ability of aminoquinolines toform strong complexes both with free heme and hemozoin makes them indispensablefor malaria treatment as the drug target hematin is host-derived and largely not underthe genetic control of the parasite. However, the worldwide increase of P. falciparumresistant strains has severely circumscribed the choice of traditionally used CQ andother quinoline based drugs. From the past experiences, it can be concluded thatantiplasmodial drug development aimed at a single parasite target or a specializedprocess has stopped working against the tide of ever increasing drug resistance. Datahas shown that after 15 years of adoption of CQ and related 4-aminoquinoline mono-therapies, P. falciparum developed resistance against these drugs. To overcome theproblem of drug resistance, the concept of “Hybrid Drugs” presented by Morphy etal3 and Meunier et al (Figure 5)4,5 and this approach has resulted many potentantimalarial molecules.6-,7,8,9,10,11 In hybrid molecules, two or more pharmacophoresare linked together covalently and it is believed that these compounds may act byinhibiting simultaneously two different conventional targets.12 The multi-targetedhybrids have some distinct advantages such as lower risk of drug-drug interactions,more predictable pharmacokinetic profile and more importantly the patient-compliance.44

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Figure 5. Concept of hybrid molecules; a) Classification of hybrids by Morphy et alas Conjugates: pharmacophores linked via a linker (stable or metabolised to givefree pharmacophores inside body), Fused hybrids with linker being too short suchthat the pharmacophores are almost touching and Merged hybrids formed by utilisingthe common functionalities in the starting pharmacophores; b) Meunier et al describedthem as (i) double-sword molecules: both pharmacophores acting on same target; (ii)each pharmacophore acting on a different target and (iii) both pharmacophores actingsimultaneously on two connected targets

This multiple target strategy by molecular hybridization of two or morepharmacophores has also been successfully applied to other human diseases such ascancer, cardiovascular, inflammatory diseases and AIDS besides malaria.43 Thismultivalent target approach has led to the discovery of 4-aminoquinoline based hybridswhich are designed in such a way that quinoline part of CQ is retained, in order toretain its hemozoin inhibition ability while the side chain of CQ is modified in orderto incorporate other antimalarial entities which can inhibit some other target within P.falciparum and at the same time not be recognized by drug effluxing proteins. Molecularhybrids based on 4-aminoquinolines can be categorised into three main categories: (i)4-aminoquinolines conjugated with cyclic peroxides (artemisinins/ trioxanes/tetraoxanes); (ii) 4-aminoquinolines conjugated with antifolates (particularly pfDHFRinhibitors) and (iii) 4-aminoquinolines conjugated to miscellaneous entities includingthose targeting novel antimalarial pathways.

Trioxane is another class of compounds that have played pivotal role in theantimalarial treatment. In the year 1967, Chinese government started a programme toaim the discovery of antimalarial compound from natural sources. Dr. Tu Yu Yu was aprogram coordinator she then explored over 2000 medicinal plants and one of theplant was Artemisia annua that gave antimalarial activity of the plant extract, whichwere not reproducible systematic sliding out cold extraction method gave reproducibleresults and it leads the isolation of Artemisnin. For this Tu Yu Yu got Noble prize in2015. 1

Later detailed studies showed that artemisinin and its semi synthetic derivativesexhits antimalarial activity against chloroquine-resistant strain of Plasmodium



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falciparum. However, clinical applications of these compounds have been limiteddue to their poor bioavailability, pharmacokinetic properties, high cost.2,3 But recentreport of emergence of P. falciparum resistant to Artemisinin complicated the problem.4

Mechanistic studies revealed that the presence of a peroxide bridge is essential for theactivity of these compounds, and this key structural feature led to the quest to discoverother synthetically accessible peroxides as potential antimalarial agents. The subsequentstudies identified tetraoxanes as another new class of antimalarials and some of thesecompounds have shown very promising activity. These compounds like artemisininexert their activity due to their ability to form radical species under physiologicalconditions and thus stop the hemozoin formation.

My research group has been working for the last 15 years in the area of synthesis,development and structure modification of novel molecular hybrids based on (A)tetraoxanes and (B) 4-aminoquinolines. We initiated a program on the syntheticantimararials and designed tetraoxane based antimalarial. The first tetraoxane basedcompound was reported in 1992 and till 2002 less than 100 tetraoxanes were publishedin the literature.5 We got interested in tetraoxane based compounds due to its fascinatingstructure and potent antimalarial activity. We explored the possibility of usingbenzaldehydes as a precursor of tetraoxane and generated a series of benzene substitutedtetraoxanes.

Tetraoxane based antimalarials

(A) Synthesis of symmetrically and asymmetrically substituted tetraoxanes

The designed tetraoxanes were synthesized by a previously published method.Reaction of the aromatic aldehydes or ketones, H2O2 (30% aqueous solution), andHBF4 (54% freshly prepared ethereal solution), in presence of 0.1 mol% MTO in TFEled to the formation of symmetrical tetraoxanes at room temperature (Scheme 1),while o-substituted benzaldehyde led to a poor yield of the product. However, reactionof benzaldehyde substituted by OH, OR, or NH2 functionality did not give the desiredtetraoxanes. Under identical reaction conditions, unsymmetrical tetraoxanes wereprepared (Scheme 2).6After completion of the reaction chloroform was added to thereaction mixture and the organic layer was washed with NaHSO3, followed by saturated

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solution of NaHCO3. Organic layer was dried over Na2SO4 and excess of solvent wasremoved under reduced pressure. The crude product was washed with cold hexanesfollowed by mixture of cold methanol and hexanes (1:1).



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Table 1. Antimalarial activity and cytotoxicity of substituted tetraoxanes

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The Differential Scanning Calorimetry (DSC) analysis demonstrated that thesecompounds are thermally stable (-2135.4 J/g). Among the series, compounds 9, 10,11, 12, 16, 18, 25, 26 and 27 were found to be most active with IC50 values rangingfrom 0.95-2.66 ìM for D6 and 0.77-2.59 ìM for W2 strain, with no toxicity againstmammalian kidney fibroblast (Vero cells). Some of the compounds like 9, 10, 11, 12,16, 18 and 25 showed better activity against chloroquine resistant (W2) strain incomparison to chloroquine sensitive (D6) strain. The activity profile of thesecompounds clearly indicates that the tetraoxanes with substituent present at meta orpara position of the benzene ring shows better antimalarial activity (entry 10, 16, 25,26 and 27) than the tetraoxanes having substituent at ortho position (entry 17, 28),Furthermore, smaller or larger ring size than cyclohexane in the tetraoxane havenegative effect on the antimalarial activity of these tetraoxanes (entry 22, 23, 30, 31and 32). Interestingly, symmetrical tetraoxanes having methyl substituent at ortho,para, and meta position exhibited very good animalarial activity. Among these,compound with methyl group at meta position of the tetraoxane (entry 10) was themost potent against both strains of Plasmodium falciparum (D6 and W2). However,when methyl group of compounds 9, and 10 were substituted by CF3 group, the resultingtetraoxane (entry 19, 20) lost antimalarial activity.

(B) Iodine-catalyzed synthesis of tetraoxanes1

Due to the possibility of selective incorporation of various functional groups in thephenyl ring, we use substituted benzaldehydes as a starting material for the preparationof tetraoxanes. To achieve these objectives, we developed a new methodology usingiodine as a catalyst for the synthesis of symmetrical and asymmetrical tetraoxanes.2

Use of readily accessible and inexpensive substituted aromatic aldehydes, iodine as acatalyst, and acetonitrile as a reaction medium, makes this synthetic methodologymore practical and reliable method for the synthesis of medicinally important tetraoxaneclass of compounds.

In a typical reaction conditions, substituted benzaldehyde was added to a stirredsolution of H2O2 (6 equivalent) and I2 (0.1 equivalent) in 10 mL of acetonitrile. Bis-hydroperoxide formation was confirmed by TLC and 1H NMR. After this, same ordifferent substituted benzaldehyde (1.0 equivalent) was added followed by the addition



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of 1.0 mL of HBF4.Et2O (scheme 3). Using same synthetic protocol, asymmetricaltetraoxanes (34-50) were also prepared. During the preparation of asymmetricaltetraoxanes, symmetrical tetraoxanes formation was not observed by 1H NMR. Notably,electron withdrawing OMe group favors the formation of tetraoxane, while electronwithdrawing NO2 group inhibit the reaction, as bis-hydroperoxide formation was notobserved in this case. Using same reaction conditions cyclic ketones did not react.

Scheme 3. (Reagents and conditions): (i) I2, H2O2, CH3CN; (ii) R‘CHO, HBF4.Et2O, rt

Table 2: Antimalarial activity of symmetrical and asymmetrical tetraoxanes via scheme 3

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Among the series, compounds 41-43, and 46-49, showed most potentantimalarial activity (0.38-0.99 μM for D6) and (0.45-1.08 μM for W2) strain. Othercompounds (44, and 45) also showed moderate to mild antimalarial activities (IC50

2.19-3.79 μM). None of these tetraoxanes showed any cytotoxicity to mammaliankidney fibroblasts (Vero cells) and a higher selectivity index (S.I. >20) for compounds42, 43, and 46-49. Among the symmetrical tetraoxanes compounds with para n-butylor p-tert-butyl group have shown poor antimalarial activity (44, 45), whereas in caseof asymmetrical tetraoxanes p-ethyl group at one end and p-methyl or m-methyl or p-isopropyl group at the other end of the tetraoxane, were found to be most activecompounds (46-48) in terms of IC50 value and selectivity index. These three compounds(46-48) were effective against both strains of Plasmodium falciparum (D6 and W2)with IC50 values in the range of 0.38-0.79 μM and selectivity index of 25.1-43.6.However, ester functionality has negative effect on the antimalarial activity (50).

(C) Synthesis and in vitro antimalarial activity of tetraoxane-amine/amide hybrids

Polar groups were attached covalently to the endoperoxides and this kind ofchemical modification was done with an institution that such compounds wouldenhance the cellular accumulation of the drug within the acidic food vacuole of theparasite by ion trapping and hence improves the antimalarial activity. Antimalarialactivity evaluation revealed that compounds with electron-withdrawing groups at paraposition of the phenyl ring showed poor activity. Introduction of imine, amine, andamide functionalities in these inactive tetraoxanes leads to improve the antimalarialactivity of the resulting tetraoxane-amine/amide conjugates. To introduce polarfunctional groups, we introduced a free CHO group in the tetraoxanes, and generateda library of compounds by chemical modification of CHO functionaliy.1

Over all 74 tetraoxanes, tetraoxane-amine and tetraoxane-amide conjugateswere synthesized (schemes 4-7). The starting tetraoxanes (53-58) were prepared bythe acid-catalyzed peroxidation of substituted benzaldehydes by 30% H2O2 influorinated alcohol in the presence of MTO as a catalyst (scheme 4). During thepreparation of compounds 53-58, we noticed the formation of symmetrical tetraoxanes59-64 and 65-70. Compounds 53-58 was isolated in 32-45% yield and compounds59-64 in 27-32% yield. Formation of compounds 65-70 was noticed in LCMS but all



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the efforts to isolate compounds 65-70 were unsuccessful. The unsymmetricaltetraoxane (54) was converted to corresponding imines as shown in scheme 4 andamine counterpart of compound 54 was prepared in moderate yield by the reductiveamination as shown in scheme 5 [40]. In both the cases yield of the desired productwas moderate. So alternative route for the synthesis of tetraoxane-amine conjugateswas explored (scheme 6). Tetraoxanes (53-58) which have a free CHO group werereduced to corresponding alcohols (88-93) using NaBH4 and resulting alcohols wereconverted to the mesylate derivatives (94, 95). The nucleophilic substitution ofmesylates (94, 95) with substituted amines leads the desired products (96-117) inquantitative yield. Next, we explored the possibility of conversion of tetraoxanes totheir amide counterparts. Jones oxidation of compounds 54 and 57 afforded the acidderivatives (118, 119) in good yield (scheme 4). The resulting acids were coupledwith selected amines via a mixed anhydride method to give corresponding amides ingood yield (scheme 7).

Compounds (53-58, 118 and 119) which contain polar functional groups suchas CHO and COOH at the para position of the phenyl ring of the tetraoxane weredevoid of any activity with the exception of compounds 53, 57, 58 and 118, whichshowed poor activity. Interestingly, alcohol counterparts (88-93) of compounds (54-57) exhibited good antimalarial activity against both the strains of P. falciparum (table1) with IC50 values ranging from 1.28 – 3.09 μM against D6 clone and 1.09 – 2.42 μMagainst W2 clone. But activity dropped when alcohol was converted to mesylates (94-95). When compound 54 was reacted with substituted amines, the resulting imines(71-81) gained antimalarial activity against both the strains of P. falciparum. There isa clear trend of improved activity in this series of compounds (72-74) when R is Ph,CH2Ph, CH2CH2Ph with IC50 values ranging from 7.74 μM (D6), 5.53 μM (W2); 4.80μM (D6), 6.40 μM (W2) and 1.54 μM (D6), 1.49 μM (W2) clones respectively. Thephenyl group with chloro at para position (75) showed better antimalarial activitywith IC50 values 1.46 μM against both D6 and W2 clones than its bromo counter part(76) with IC50 values 7.95 μM against D6 and 4.09 μM against W2 clone. Twocompounds, 77 and 80, were found to be the most active against both strains of P.falciparum with IC50 ranging from 0.47-0.75 μM (D6) and 0.57-0.80 (W2). Movingfrom imines (72-74) to tetraoxane-amine conjugates (96, 82, 83) trend of antimalarial

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activity was reversed. In case of imine compound 74 (R = CH2CH2Ph) was the mostactive compound while compound 72 was the least, while in the amine derivative ofthe same compound (96, R = Ph) was the most active compound. The activity profilein case of imine was in the order of R = CH2CH2Ph > CH2Ph > Ph, while in the case ofamine derivatives the activity order was reversed (R = CH2CH2Ph < CH2Ph < Ph).The imine of tetraoxane-aminoquinoline conjugate (81) was more active than itsreduced counterpart (87). Compounds (78, 85) were found to be very active againstboth the strains of P. falciparum. Among the tetraoxane-amine conjugates, compoundshaving fluoro or chloro group (106–111) with phenyl ring attached with nitrogen haveshown good activity compared to bromo derivative (113). All the compounds in whichOH, OMe, and NH2 groups are at the para position of the phenyl ring were less active(114-118). Other compounds in which methyl, ethyl and iso-propyl groups are at thepara position of the phenyl ring showed varied activity pattern (103-105). Among theamide series, the tetraoxane-aminoquinolines (131–133) showed better antimalarialactivity than other compounds of the series. Interestingly amide counterpart (120)was found to be totally inactive, which could be due to less basicity of the amide.Cytotoxicity of four selected compounds (78, 81, 85 and 87) was also evaluated in apanel of four cancer (SK-MEL, KB, BT-549, SK-OV-3) and two non-cancer (Veroand LLC-PK11) cell lines up to a concentration of 25 μM and none of the compoundswas found toxic to any of the cell lines.



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Scheme 4. (Reagents and conditions): a) (i) MTO (0.001 eq), TFE, H2O2 (2.0 eq), 2h, RT;(ii) 2 (2.0 eq), HBF4.Et2O (1.0 eq), 1h, RT, 1h, 32-45%.

Scheme 5. (Reagents and conditions): a) R2NH2 (1.0 eq), THF, RT, 18h, 25-55%; b) R’NH2

(1.0 eq), NaBH(OAc)3 (1.5 eq), THF, RT, 12h, 20-52%.

Scheme 6. (Reagents and conditions): a) NaBH4 (4.0 eq), THF, RT, 4h, 48-75%; b)MsCl (1.0 eq), Et3N (3.0 eq), THF, 6h, RT, 86-93%; c) RNH2 (1.0 eq), THF, RT, 18h,20-62%.

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Scheme 7. (Reagents and conditions): a) CrO3/H2SO4/H2O (1g/1mL/10mL), acetone,RT, 4h, 67-82 %; b) Et3N (3.0 eq), ClCO2Et (1.0 eq), R2NH2 (2.0 eq), THF, RT, 2h, 38-73 %.

(D) Tetraoxane-triazine hybrids and spiro[piperidine-4,3’-tetraoxanes asantimalarial agents

Cycloguanil, a triazine based antimalarial drug and a metabolite of theantimalarial drug chloroguanide, and pyrimethamine, inhibits dihydrofolate reductase(DHFR) domain of P. falciparum and P. berghei. Inhibition of cellular DHFR reducesthe source of tetrahydrofolates, which eventually leads to cell death as a result ofdeficient DNA biosynthesis. Cycloguanil also affects proliferating human bloodmononuclear cells when studied in vitro and has a potent inhibitory effect onToxoplasma gondii when combined with a non-inhibitory concentration of sulfadiazine.These compounds have been used as antimalarial during 1960‘s, but later on their usewas abandoned. Keeping in mind the numerous biological applications of triazine andpuyrimidine based molecules and antimalarial activity of tetraoxane, we designedtetraoxane-triazine based hybrids (177-185, 186-194). The work started with the synthesisof known compounds 138, 139 using cyanuric chloride as a starting material (Scheme 8).1



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Scheme 8. (Reagents and conditions): i) RX, K2CO3, THF, 0!, 3 h. ii) R1X, K2CO3,THF, 3 h, r.t. iii) ethylenediamine, K2CO3, THF, 60!, 3 h.

After usual work-up and purification, all the synthesized compounds (158-166, 167-175) were characterized spectroscopically. Finally compounds 158-166, 167-175 were reacted with compound 176 [33] in the presence of Et3N and ethylchloroformate in THF at room temperature for 2 h to give compounds 177-185, 186-194 in good to moderate yield (Scheme 9).

The spiro[piperidine-4,3’-tetraoxanes] were prepared in anticipation that theN-atom of the piperidone ring will help the tetraoxane to accumulate more in theacidic food vacuole of the parasite and, in turn, these kinds of compounds will exhibitimproved antimalarial activity. With these aims in mind, we started our synthesis withthe preparation of compounds 196 and 197 as shown in Scheme 10. Reaction of 196and 197 with different substituted ketones/aldehydes in presence of 1,1,1,3,3,3-hexafluoropropane (HFIP), methyl trioxorhenium (MTO), and an ethereal solution ofHBF4 led to the formation of desired the compounds (198-210, 211-218) in moderateyield (Scheme 10).

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Scheme 9. (Reagents and conditions): i) Et3N, C2H5OCOCl, THF, 2 h, r.t.



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Scheme 10. (Reagents and conditions): i) p-Toluene sulphonyl chloride / Benzene sulphonylchloride, K2CO3, CHCl3/H2O (1:1), 4 h, r.t. ii) Aldehyde/ketone, HBF4.Et2O, hexafluoro-2-propanol (HFIP), methyltrioxorhenium (MTO), 2 h, r.t

Table 3: In vitro antimalarial activity of tetraoxane-triazine hybrid and spiro[piperidine-4,3’-tetraoxanes]

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Most of the compounds were inactive except compounds 178, 179 and 185. Thesecompounds exhibited moderate antimalarial activity IC50 in range of [D6 = 2.74-5.45μM and W2 = 2.13-5.43 μM]. Some of the spiro[piperidine-4,3’-tetraoxanes] haveshown very good to moderate antimalarial activity. Two compounds, 198 (R = p-Ts, R1 =4-CH3C6H9) and 211 (R = p-Bnz, R1 = 4-CH3C6H4), have shown good activity against boththe strains of P. falciparum with IC50 in the range of [0.30-0.70 μM (D6), 0.20-0.83 μM(W2)] with high selectivity index. Compounds 199, 200, 213 and 218 with (R1 = Ph, 4-MeC6H4, 2-MeC6H4, 4-MeOC6H4) exhibited moderate to good antimalarial activity withIC50 in the range of 1.48-4.90 μM (D6), 1.40-7.36 μM (W2). All other compounds werefound to be inactive up to tested concentration (25 μM) with no clear SAR.

During the course of this work, we designed other sets of hybrids involving 4-aminoquinoline and triazine, pyrimidines. We developed 4-aminoquinoline-triazole,4-aminoquinoline-triazine, 4-aminoquinoline-triazole-triazine, 4-aminoquinoline-pyrimidine, and 4-aminoquinoline-purines hybrids incorporating the hemozoin-inhibition feature of the 4-aminoquinoline part and the plasmodium-DHFR(dihydrofolate reductase) inhibition characteristic of the triazine/pyrimidine scaffolds.The synthesized compounds were evaluated for their in-vitro antimalarial activityagainst D6 clone (CQ-sensitive) and W2 clone (CQ-resistant) of P. falciparum, whilethe cytotoxicity evaluation were carried against a panel of 3 mammalian cells (Vero,LLC-PK11 and HepG2). The most relevant papers are being presented here.

Aminoquinoline based hybrids as antimalarial agents:

(A) Synthesis of 4-aminoquinoline-1,2,3-triazole and 4-aminoquinoline-1,2,3-triazole-1,3,5-triazine hybrids as potential antimalarial agents

Triazole is another class of compounds that exhibit variety of biological activitysuch as antifungal, antibacterial, anti-tubercular, etc., and the compound can easily beprepared by click chemistry. Keeping these points in mind, two different series of 4-aminoquinolines-1,2,3-triazole and 4-aminoquinolines-1,2,3-triazole-1,3,5-triazinehybrids have been synthesized and screened for in vitro antimalarial activity againstD6 and W2 strains of Plasmodium falciparum.1



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Figure 6. 4-aminoquinoline-1,2,3-triazole and 4-aminoquinoline-1,2,3-triazole-1,3,5-triazine hybrids

The target compounds were prepared as outlined in Scheme 11 and scheme12. Aromatic nucleophilic substitution of commercially available starting material4,7-dichloroquinoline (219) with an excess of aliphatic linear chain amino alcohols inneat conditions as reported in literature (34–36) afforded substituted 4-aminoquinolines(220) in excellent yield. The free hydroxyl group was then chemoselectively o-mesylated using mesyl chloride and triethylamine as base to yield mesylated 4-aminoquinolines (221). The acidification of these mesylated products was then carriedusing sodium azide as nucleophile and DMF as solvent at 50 °C to obtain thecorresponding azides (222). Finally, these azides were reacted with substituted terminalalkynes to generate 1,2,3-triazoles by click chemistry using standard protocol of sodiumascorbate and copper sulfate as catalyst and an equimolar ratio of water and t-butanolas solvents to yield the final target compounds (224 and 242) in moderate to goodyield. Substituted alkynes (268) were prepared by literature method using propargylbromide as a starting material under basic conditions, while synthesis of alkynes withgeneral structure 268-274 is described in Scheme 12.

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Scheme 11. (Reagents and conditions): (a) 2-aminoethanol or 3-amino-1-propanol, 130-150oC, N2, 12-15 h, 85-88%; (b) MsCl, Et3N, THF, N2, 0 oC-RT, 1h, 70-75%; (c) NaN3, DMF, 50oC, 4-5 h, 85-90%; (d) CuSO4.5H2O, Sodium Ascorbate, t-BuOH:water (1:1), 40 oC, 3h, 50-75%.

Scheme 12. (Reagents and conditions): (a) aliphatic or aromatic amines, K2CO3, THF, 0 oC,3h, 80-85%; (b) propargyl alcohol, K2CO3, THF, 0 oC-RT, 5-8h, 50-60%; (c) aliphatic amines(3 eq), rt, 4-5 hr, 85-90%.



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Table 4: In vitro antimalarial activity and cytotoxicity of 4-aminoquinoline-triazole hybrids.

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Among the series of eighteen 4-aminoquinoline-triazole hybrids (224-241), simplealiphatic analogues containing polar hydroxy group (224–227) displayed mild tomoderate activity against both strains of P. falciparum. The protection of hydroxylgroup by THP group (228) did not enhance the activity, but incorporation of arylgroups (229–239) gave a clear drift toward rise in activity. Among these, compoundswith aryl groups having halogen (229–232, IC50 ranging from 1.28 to 1.55 μM) andalkyl (233–236, IC50 ranging from 1.39 to 2.63 μM) side chains at different positionsof the aromatic ring exhibited similar activity profile. Interestingly, introduction ofCOCH3 functionality at para position of aromatic nucleus (238 and 239) improvedantimalarial activity against both CQ-sensitive and CQ-resistant strains with IC50 valuesof 0.91–0.65 μM and 1.12–1.25 μM, respectively, with an increase in selectivity index.Changing the phenyl ring to biphenyl moiety (240 and 241) also improves antimalarialactivity. The antimalarial activity profile of these compounds clearly demonstratesthat compounds with C-3 spacer (225, 227, 239, 241) showed better antimalarial activitythan their C-2 counterparts (224, 226, 228–238, 240). This trend may be due to theincrease in lipophilicity as we move from C-2 spacer to C-3 spacer. Another set ofcompounds having three pharmacophore together (242-257) showed a similar trendof increase in activity with increasing length of carbon spacer. Introduction of basicmoieties like piperidine, morpholine, and dimethylamine (242–254) in place of chlorogroup (255–257) boosts up the activity. This is in accordance with the fact that basic



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side chain at the terminal position of 4-aminoquinolines is important for better activity.Among this series of analogues, 247 (having 2,6-dimethyl anilino and dimethyl aminomoiety attached at 4 and 6 position of triazine nucleus) was the most active analogueexhibiting IC50 of 0.58 μM against D6 strain and 0.73 μM against W2 strain of P.falciparum. The substitution of 2,6-dimethyl anilino group at 4 position (247) withless lipophilic 3,5-dimethoxy anilino group (245) leads to a decrease in activity.Substitution of both the position of triazine nucleus with aliphatic moieties (250, 251,253, 254) also leads to further decrease in activity with an exception of compound252 that showed moderate activity. All the compounds (224-241 and 242-257) werefound to be non-cytotoxic up to 48 μM concentration to Vero cells, indicating theirsafety toward mammalian cells.

(B) 4-Aminoquinoline-triazine based hybrids with improved in vitro antimalarialactivity against CQ-sensitive and CQ-resistant strains of P.falciparum

With these interesting results, we designed other series of hybrids involving triazineand aminoquinoline that led to the discovery of potent 4-aminoquinoline-1,3,5-triazinebased hybrids with potent activity against both CQ-sensitive and CQ-resistant of P.falciparum.1,2 Synthesis of substituted 4-aminoquinolines (275-277) was achieved byaromatic nucleophillic substitution (SNAr) of 4,7-dichloroquinoline (219) with anexcess of different linear chained aliphatic diamines in neat conditions as reported inliterature (Scheme 13) (45).

Scheme 13. (Reagents and conditions): (a) aliphatic diamines, neat, 110-120 oC, 6-8 h, 80-

85%

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Temperature controlled step wise displacement of chlorine atom from commerciallyavailable starting material cyanuric chloride (258) was accomplished in stepwise toachieve the synthesis of target compounds (290-339) as outlined in scheme 14. In thefirst step, cyanuric chloride (258) was subjected to nucleophillic substitution bypiperidine or morpholine in presence of a base at 0 oC to yield monosbustituted triazines(278-282). These monosubstituted triazines (278-282) on reaction with various aliphaticand aromatic amines at room temperature provided disubstituted triazines (283-289)in good yield. Third chlorine of disubstituted triazines (283-289) were then substitutedby 4-aminoquinolines having varying alkyl chain lengths at elevated temperature toyield final trisubstituted triazines (290-339) in moderate to excellent yields.

Scheme 14. (Reagents and conditions): (a) Aromatic or aliphatic amines, K2CO3, THF, 0oC,3 hr, 80-85%; (b) Aromatic or aliphatic amines, K2CO3, THF, RT, 3 h, 80-85%; (c) 4-Aminoquinolines, K2CO3, THF, 60 o C, 12-14 hr, 49-65%.



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Table 5: In-vitro antimalarial activity of new 4-aminoquinoline-triazine conjugates.

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Out of series of 28 compounds (290-317), ten compounds (290, 292, 294, 295, 297,298, 300, 311, 313 and 317) have shown better antimalarial activity (IC50 rangingfrom 0.11 to 0.42 μM) than CQ while 3 compounds (296, 310 and 316) have showncomparable activity (IC50 ranging from 0.48 to 0.49 μM) to CQ against W2 clone of P.falciparum. Four of these hybrids (301, 310, 313 and 315) have also shown potentantimalarial activity (IC50 ranging from 0.06 to 0.10 μM) with high selective indexagainst D6 clone of P. falciparum. SAR studies of these hybrid shows that the spacerwhich links 4-aminoquinoline to 1,3,5-triazine moiety plays an important role indefining the activity of these molecules, as increasing the length of the linker from C2to C4, activity of the resulting compounds increases. However, some deviations fromthis trend were also observed with few compounds (291, 297, 303, 309 against D6clone and 291, 300, 303, 315 against W2 clone). Enhanced antimalarial activity withhigh selective index against W2 clone of P. falciparum has been observed forcompounds containing aromatic substitution on 1,3,5-triazine (7 out of 12 compoundswere better than CQ) than their aliphatic counterparts (2 out of 16 compounds werebetter than CQ). This may be attributed to greater lipophilic character associated witharomatic compounds. It may be noted that no obvious change in activity pattern wasobserved by changing the substituents (fluoro, ethyl or methoxy groups) on phenylring attached to 1,3,5-triazine moiety. Most interestingly, the introduction of aminoalcohols with terminal hydroxyl groups in the 1,3,5-triazine nucleus enhances theactivity of some of the compounds (310, 311, 313, 316 and 317) towards both thestrains of P. falciparum with IC50 ranging from 0.10 to 0.19 μM against D6 clone and0.28 to 0.49 μM against W2 clone. In this series (302-317), the change of piperidine(311-317) from morpholine group (302-310) improved the antimalarial activity ofthese compounds against both the strains of P. falciparum (IC50 ranging from 0.10 to0.21 μM against D6 clone and 0.28 to 1.17 μM against W2 clone) while the increasein the carbon chain length of aliphatic aminoalcohols attached to 1,3,5-triazine nucleusgenerally increases the antimalarial activity toward W2 clone for a particular linker(C2, C3 or C4) present between the aminoquinoline and triazine moiety. Most of the

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compounds were found to be non-cytotoxic up to the highest tested concentration of25 μM against all three cell lines.

All the compounds with morpholine at second and 3,5-dimethoxy aniline at 4th positionand aminoquinoline with different substituent pattern at 6th position of the triazinering exhibited antimalarial activity, except compound (R= morpholine, R1=3,5-dimethoxy aniline, X=1,6-hexane-diamine). Out of these, compounds withenthylenediamine and propyline diamine linker were very potent with IC50 valuesranging from 0.22-0.58 μM, the activity of these conjugates depends on the length ofthe linker that connects 4-aminoquinoline with disubstituted triazine nucleus. With achain length of C2 to C3, the activity against both the starins is retained while onincreasing the length to C4, C5 the activity is lost. At higher chain length (C8), theactivity is retained. Interestingly disubstituted triazine with morpholine at 2nd andaminoquinoline with C2 linker at 4th position and having a free Cl free at sixth positionof triazine nucleus resulted in a decrease in antimalarial activity. Substitution of R1 incompound 318 (R = morpholine, R1 = 3,5-dimethoxy aniline, X = 1,2-ethylenediamine)and 319 (R = morpholine, R1 = 3,5-dimethoxy aniline, X = 1,2-propane-diamine) withmorpholine functionality also resulted in a decrease in antimalarial activity. Compoundswith piperidine at 2nd, cyclohexylamine at 4th and 4-aminoquinoline at 6th positionwith C2 to C4 linker also showed antimalarial to a variable extent. Activity ofcompounds 331 (R = aniline, R1 = chloro X = 1,2-ethylenediamine), 332 (R = aniline,R1 = aniline, X = 1,2-ethylenediamine) was very promising against both strains withIC50 ranging from 0.21-0.87 μM with high selectivity index. However upon increasingthe length of the linker to C4 the activity diminished. Compounds having o-toludineand aminoquinolines with different linker exhibited antimalarial activity with IC50

values in the range of 0.31-1.58 μM against D6 clone and 0.38-1.89 μM against W2strain of P. falciparum. Cytotoxicity of these compounds was tested against three celllines. In general the cytotoxicity of the most of the conjugates appreared at muchhigher concentrations than the concentrations responsible for their antimalarial activity.Some of the conjugates were not cytotoxic at all upto the highest tested concentrationof 48 μM indicating their safety in the mammalian system.



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(C) 4-Aminoquinoline-pyrimidine based hybrids with improved in vitro and invivo antimalarial activity

Based on the SAR study results of aminoquinoline-triazine based hybrids it wasapparent to replace one of the nitrogen of triazine by –CH and synthesizeaminoquinoline-pyrimidine based hybrids. This design was based on additionalinformation about the biological activity of pyrimidine based pharmachore, thepyrimidine-based compounds are well-known for their wide range of biological activitysuch as fungicidal, herbicidal, analgesic, anti-inflammatory, antitumor, and antimalarialactivities apart from their role in the nucleic acid synthesis. The pyrimethamine (341),a pyrimidine analogue, has been used for the treatment of malaria with limited success.For the synthesis of novel 4-aminoquinoline-pyrimidine based hybrids we link 4-aminoquinoline and pyrimidine entities together via flexible linear-chaineddiaminoalkane (342) linkers (Figure 7), so that the molecule has enough flexibility tofit in the binding site of the target, and as a result, this kind of hybrid molecules mayshow better antimalarial activity.1

Figure 7. Design of 4-aminoquinoline-pyrimidine hybrids.

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Scheme 15. (Reagents and conditions): a) diaminoalkanes (n=1-3,5), neat, 120-130oC, 6-8 h, 80-90%; b) 2,4-dichloro-6-methyl-pyrimidine, TEA, EtOH, RT, overnight,(6a-d, 70-80 % and 7a-d, 15-25 %); c) R = secondary amines, DMF, 100-120 oC, 10-12 h, 80-85%.

The 4-aminoquinoline-pyrimidine hybrids were synthesized as outlined inScheme 15. These compound (343-346) on reaction with commercially available 2,4-dichloro-6-methyl-pyrimidine yielded two regioisomers viz. 347-350 in major and351-354 in minor yield. The major regioisomers 6a”d were subjected to nucleophilicsubstitution with different cyclic secondary amines at an elevated temperature in DMFas the solvent to yield 4- aminoquinoline-pyrimidine conjugates (355-368) in excellentyield.

The regiochemistry of the synthesized isomer was established by X-ray crystalstructure of one of the isomer. All the synthesized compound were characterized andevaluated to in-vitro antimalarial activity. Most of the compounds showed verypromising antimalarial activity in the in vitro screening. Out of these, 11 compounds(356, 357 , 359, 360, and 362"368) have displayed better antimalarial activity (IC50 =0.005"0.03 ìM) against the CQ sensitive strain, while 12 compounds (356"360 and362"368) have displayed better antimalarial activity (IC50 = 0.01"0.21 ìM) againstthe CQ-resistant strains of P. falciparum, Four hybrids (363, 364, 366, and 367) showed1.6"2.0 fold higher activity in comparison to pyrimethamine against both drug-sensitiveand drug-resistant strains (D6 and W2) of P. falciparum, in contrast to pyrimethamine,



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which was inactive up to 19 ìM concentration against W2 strain. Among compounds363 and 367 showed appreciable activity against D6 strain (IC50 = 0.12 and 0.18 ìM,respectively), while these compounds showed poor antimalarial activity (IC50 = 10and 16 ìM, respectively) against the drug-resistant (W2) strain. These hybrids showedefficacy in the nanomolar range against both of the strains (D6 and W2), and it indicatesan improved activity of the two molecules in the conjugate form as compared to theindividual form.

The selectivity index of antimalarial activity (calculated as a ratio of IC50 forcytotoxicity to Vero cells and IC50 for antimalarial activity) was very high for most ofthese compounds as compared to standard drug CQ. The activity of compounds 363,364, 366, and 367 was 6"8 fold higher than CQ and 2-fold higher than artemisinin inCQ-sensitive strain, and the activity of compounds 357, 360, and 363"368 was 6"26fold higher than CQ-resistant strains, while compounds 366 and 368 showedcomparable activity as artemisinin in the CQ-resistant strain, revealing their strongpotency. The substitution of Cl from compounds 347-350 (IC50 = 0.12"0.44 ìM forCQ-sensitive and 0.50"0.70 ìM for CQ-resistant) with secondary amines (356"360and 362"368, IC50 = 0.005"0.06 ìM for CQ-sensitive and 0.02"0.21 ìM for CQ-resistant) improves the antimalarial activity of these compounds. The comparison ofantimalarial activity of two groups of regioisomers 347-350 (IC50 = 0.12"0.44 ìM forCQ-sensitive and 0.50"0.70 ìM for CQ-resistant) and 351-354 (IC50 = 0.14"0.24 ìMfor CQ sensitive and 0.58"1.17 ìM for CQ-resistant) clearly indicates that both theregioisomers displayed more or less similar potency against both of the strains of P.falciparum. These results indicate that the point of attachment of the spacer to thepyrimidine nucleus may not have a great impact on activity profile. For a particularamino-substituted 4-aminoquinolinepyrimidine hybrids (355"358, 359"362 or363"366), SAR study demonstrated no obvious trend of activity with increasing ordecreasing carbon spacers from C2 to C6, but changing the amino groups for a particularC2 (359 and 363), C3 (356, 360, 364, and 367), C4 (357, 365, and 368), or C6 (358,362, and 366) spacer changes the activity significantly in a decreasing order of 4-ethylpiperazine > 4-methylpiperazine > morpholine > piperidine.

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Some of the hybrids were not cytotoxic at all up to the highest testedconcentration of 60 ìM, indicating their high selectivity index of antimalarial activityversus cytotoxicity to mammalian cells. In vivo antimalarial activity of two potentmolecules 363 and 367 was determined through oral route of administration in P.berghei”mouse malaria model. Both compounds exhibited excellent in vivoantimalarial activity without any toxicity. The compound 363 was better active ascompared to 367 and CQ, the control used in this study. Treatment with compound363, at three doses of 30 mg/kg, produced almost complete suppression of parasitemiaand cured 80% of the treated mice, as compared to only 20% cured by 367 and no cureby CQ. Although CQ is a highly tolerated drug and produces cure in mice at higherdoses, in the present in vivo study, the dose was selected to get the comparative resultswith the test compounds.

Table 6: In vivo antimalarial activity of selected 4-aminoquinoline-pyrimidine hybridsin P. berghei-mouse malaria mode



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1% suppression in parasitemia is calculated by considering the mean parasitemia inthe vehicle control as 100%. Parasitemia suppression <80% is considered as non-significant.; 2Number of animals that survived on day 28/total animals in the group(the day of the death-post-infection).; 3MST - mean survival time (days).; 4Numberof mice without parasitemia (cured) till day 28 post-infection.

(D) Modification of 4-aminoquinoline-Pyrimidine hybrids

Based on the above result, we have carried out mass structural modificationon the 4-aminoquinoline-pyrimidine hybrids. This includes the modification on thesubstitution of pyrimidine ring; variation of linker attached between aminoquinolineand pyrimidines; functionalization of NH group attached to pyrimidine ring.

The first modification was the change in the substitution on the pyrimidine ring. Wehave designed three series of compounds by varying the substitution on the pyrimidinering. In the first scheme secondary amines were replaced by aniline moiety,1,2 in thesecond series the aniline group is further extended by secondary amines through amidebond as shown in the figure 8.3The last modification was the use of aminoalcoholinstead of secondary amines.4These series of compounds have been published and aregiven in the figure 8. The antiplasmodium activity ranges of these compounds in eachseries against CQS strains and CQR strains also given the figure 8. These resultsestablished that the secondary substitution is most apt one for exerting antimalarialactivity.

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Figure 8. Modification of substitution on pyrimidine ring

(E) Linker modification:

In order to understand that structural requirement for best activity role of linker inaminoquinoline-pyrimidine hybrid was investigated. All the structural feature ofaminoquinoline-pyrimidine was kept same but the two pharmacophores were linkedby Piperazine linker.1

Figure 9. Modification in the linker



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(F) Functionalization NH group

Further to study the effect of structural modifications at the linker chain of the 4-aminoquinoline-pyrimidine hybrids on their pharmacokinetic behavior and antimalarialactivity, the terminal free -NH of diamine linker substituted with appropriate aryl/hetero-aryl functionality through a simple reductive amination strategy with anappropriate aldehyde. We have synthesized number of compounds and their activityrange is given in figure 10. 1-,2,3

Figure 10. NH functionalized 4-aminoquinoline-Pyrimidine hybrids

(G) 4-Aminoquinoline-Purine Based Hybrids

It has been reported that the purine is an inhibitor of Plasmodium falciparumHypoxanthine-guanine-(xanthine) phosphoribosyltransferase (HG(X)PRT) [22-24],

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a key enzyme essential for the survival and replication of the plasmodium parasite. Itwas envisaged that hybridization of the 4-aminoquinoline pharmacophore with thepurine moiety will lead to the design of a novel hybrid, having a better antimalarialpotency. The synthesis of the aminoquinoline-purine hybrids commenced with theformation of 2,6-dichloro-9H-purine and subsequent coupling of aliphatic amines asshown in scheme 1.1 Initially, commercially available guanine (369) was reacted withPOCl3 and DMF in a solution of 1,2-dichloroethane to offer intermediate-370. Theintermediate 370 on acid hydrolysis (12% (v/v) AcOH) gave intermediate 371. Further,the base hydrolysis and subsequent reaction with ZnCl2 and NaNO2 in acidic medium(conc. HCl) gives the 2,6-dichloro-9H-purine (373). Finally, the reaction of intermediate373 with various aliphatic amines gave the desired products (374-383) in excellentyields.

Scheme 16. (Reagents and conditions): (a) POCl3, DMF, 1,2-dichloro ethane, 80 oC,6 h, 63%; (b) Acid hydrolysis (AcOH, 12% v/v), 70 oC, 4 h, 69%; (c) Base hydrolysis(NaOH, 10% w/w), 3 h, rt, 80%; (d) ZnCl2, NaNO2, Conc. HCl, -5 to 0 oC, 0.5 h,47%; (e) Secondary amine, EtOH, Et3N, 6 h, RT, 6a-6j (65-84%).

Eventually, aminoquinoline-purine hybrids were synthesized as shown inScheme 2. Commercially available 4,7-dichloroquinoline (219) was reacted withexcess amount of aliphatic amino alcohols (5 eq.) via a SNAr type substitutionreaction in neat condition at 120 oC to offer intermediates 384 and 385. Theseintermediates on bromination in presence of 48% aq. HBr/conc. H2SO4 at 160



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oC gave the brominated products (386 and 387). These intermediates on reactionwith various substituted purines (374-383) at room temperature in DMF assolvent yielded the desired 4-aminoquinoline-purine conjugates (388-407).

Scheme 17. (Reagents and conditions): (a) Amino alcohol (n = 1-2), neat, 120-130oC, 6-8 h; (b) aq. HBr (48 %), Conc. H2SO4, 160 oC, 3 h; (c) 6a-j, K2CO3, DMF, rt

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Table 7: In vitro antimalarial activity and cytotoxicity of the 4-aminoquinoline-purinehybridsa



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In order to get the structure-activity insights for aminoquinoline-purine hybrids,two point variations were made in the length of the diamine spacer and secondaryamine substitution of -Cl group at 6-position of the purine ring. Among the 23synthesized hybrids, 18 compounds displayed antimalarial activity with IC50

less than 1 μM ranging from 0.061-0.833 μM against chloroquine-sensitive(D6 P. falciparum) strain, while 8 hybrids (388, 393, 395-397, 405-407) withIC50 values ranging from 0.080-0.504 μM exhibited better activity against CQ-resistant (W2 P. falciparum) strain when compared with chloroquine. Amongthem compound 396 has shown antimalarial activity against the CQ-resistantstrain with six-fold more potency than chloroquine. Increasing the length oflinker between aminoquinoline and purine from two carbons to three carbonsseems to decrease the activity significantly in case of hybrids with differentsecondary cyclo-amine substitutions (compounds 388-397 vs 400-407).However, this trend was reversed in case of substitutions with linear secondaryamines (compounds 388-389 vs 398-399). Also, it was observed that compoundssubstituted with 1-methyl and 1-ethyl piperazines (compounds 395-396 withethylenediamine linker and 405-406 with 1,3-propylenediamine linker) displayedthe best antimalarial activities against both the strains, in their respective series.However, the activity slightly dropped in case of 1-phenyl piperazinesubstitutions (compounds 397 and 407). All others were found to be non-cytotoxic up to the highest tested concentration of 11.86 ìM. Thus, it can beconcluded that the present compounds showed high selectivity index withcompounds 395, 396 and 405, 406 (compounds substituted with 1-methyl and1-ethyl piperazines) showing the best values. As a part of the mechanistic studies,the most active compound 396 was evaluated for heme-binding interactionsusing standard spectrophotometric methods and strong binding interactions withmonomeric as well as dimeric heme with a 1:1 binding stoichiometry, similar toCQ were observed.

Molecular docking studies of the active aminoquinoline-purine derivatives (IC50 < 1ìM) were performed in the acyclic nucleoside phosphonates (ANPs) binding site ofHGPRT (PDB ID: 4IJQ). The docking results clearly indicate that the most activecompounds in the study exhibited significant binding affinities (Glide energy range -

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58.83 kcal mol-1 to -33.79 kcal mol-1) towards HGPRT enzyme and the energy rangesare comparable to the cocrystal ligand. Figures 11 and 12 illustrate the predicted bindingposes for compounds 396 and 393 showing hydrogen bonding and the van der Waals’interactions in the purine binding site of HGPRT having expected binding pattern asobserved for HGPRT inhibitors. Moreover, the aliphatic ring moiety attached to thepurine ring is involved in the H-bond interactions with the protein active site residuesof the protein. Compound 396, showing lowest binding energy (-58.83 kcalmol-1) andconsiderable high Glide XP score (-6.97 kcalmol-1) for human HGPRT, bind deep inthe purine binding site forming hydrogen bond between ethyl hydrogen attached topiperazine ring of 396 and NH side chain of Val187 of HGPRT (Figure 11). Further,hydrogens of piperazine ring forms two hydrogen bonding interactions with mainchain oxygen atom of Asp193 and sidechain CH group of Ile135. The NH linkergroup between quinoline and purine ring forms H-bond interactions with main chainoxygen atom of Leu101. Figure 12 shows hydrogen bonding of another activecompound 393. The oxygen atom of morpholine ring attached to purine moiety of thecompound 393 form hydrogen bond with NH group of Lys165 sidechain (Figure 12).Further, the linker CH moiety connecting the aminoquinoline ring and purine ring of393 forms H-bond interaction with the side chain oxygen of Asp193 of HGPRT (Figure12).

Figure 11. Docking pose showing interaction for compound 396 in the binding site of HGPRT(PDB ID: 4IJQ)



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Figure 12. Docking pose showing interaction for compound 393 in the binding site ofHGPRT (PDB ID: 4IJQ)

Most of the compounds showed 0-1 violations of Lipinski’s rule of 5 with the exceptionfor compound 397 and compound 407 showing two violations (having QPlogPo/w >6 and mol_MW > 500 amu. Prediction of oral drug absorption (Percent Human OralAbsorption) was highly satisfactory for all the test compounds. QPPCaco predictionsfor all the test compounds showed high to moderately good values for Caco-2 cellspermeability. Further, QPlogKhsa, the prediction for human serum albumin bindingfor all tested compounds were predicted to lie within the expected range for 95% ofknown drugs (-1.5 to 1.5). Also, the QikProp descriptor for brain/blood partitioncoefficient (QPlogBB) and the blood-brain barrier mimic MDCK cell permeability(QPPMDCK) show satisfactory predictions for all the test compounds and the referencecompound. Furthermore, #rotor i.e. number of rotatable bonds (<15) and PSA (polarsurface area, 70 Å2 200 Å2) parameters were predicted for the test compounds. Theseparameters indicate the flexibility in the compound structures and have significantinfluence on the oral bioavailability of the compounds [41]. In the present study, allthe test compounds have a number of rotatable bonds <15 and polar surface area fallssatisfactorily in the permissible range.

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(H) Hybridization of fluoro-amodiaquine (FAQ) with pyrimidines: Synthesis andantimalarial efficacy of FAQ-pyrimidines

Amodiaquine (AQ), is a 4-aminoquinoline antimalarial similar to the blockbusterantimalarial chloroquine (CQ), but has a 4-hydroxy anilino function in its side chaininstead of the linear aliphatic chain of CQ but retains four carbon atoms between thesecondary and tertiary nitrogens (Figure 13). The inter-nitrogen separation betweenquinoline nitrogen and tertiary nitrogen in the “active conformation” of both AQ andCQ is ~8.30 Å as calculated by molecular modelling studies. AQ was found to havean excellent activity profile with better activity than CQ against CQ-resistant P.falciparum strains but its therapeutic use was restricted due to its inherent toxicity,possibly due to the formation of quinone-imine (QI) metabolites akin to those producedduring paracetamol metabolism. Lately, use of AQ has resurrected as a combinationtherapy partner due to its inherent advantages such as low price and effectivenessagainst CQ-resistant strains.

Various strategies to reduce the toxicity associated with AQ/AQ-analogues throughstructural modifications have been reported but often on the expense of its antimalarialpotency. O’Neill et al. replaced the para –OH group by a –F atom in the aniline ringof AQ to generate fluoro-amodiaquine (FAQ) which cannot form the reactive QImetabolites through P450-mediated oxidation (Figure 13). However, it was found topossess a 2 to 2.5-fold reduced activity than AQ against the CQ-sensitive and resistantstrains. Similar strategy was adopted to synthesise fluoro-tebuquine analogues but itresulted in diminished antimalarial activity than both AQ and tebuquine. FAQ-4 (4’-Fluoro-N-tert-butylamodiaquine) was later identified as a candidate for furtherdevelopment studies based on its activity profile (comparable to AQ), low toxicityand an acceptable safety profile. More recently, Sousa et al. reported the synthesis ofFAQ-piperazines (Figure 13) but these analogues exhibited a 16-106 fold reduction inantiplasmodial activity. In order to retain the advantages associated with AQ, it wasdecided to utilize the FAQ scaffold and FAQ-pyrimidines were designed (Figure 13),synthesized and assessed for their anti-plasmodial activities against CQ-sensitive andCQ-resistant.



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Figure 13. Design of FAQ-pyrimidine hybrids under present investigation throughutilization of 4-fluoro substitution in AQ/Tebuquine as previously reported in literature

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To introduce the desired 3-(aminomethyl)-4-fluoroaniline linker to the 4-aminoquinoline scaffold, commercially available 4,7-dichloroquinoline (219) wasreacted with 5-amino-2-fluorobenzonitrile (408), wherein, the SNAr coupling productviz. 5-((7-chloroquinolin-4-yl)amino)-2-fluorobenzonitrile (409) was formed (Scheme1). The nitrile group of intermediate 394 was then reduced to yield the correspondingbenzyl amine (410) using CoCl2.6H2O and NaBH4 (which generates cobalt boride insitu) as the reducing agent. Subsequent coupling of intermediate-410 with 2,4-dichloro-6-methylpyrimidine afforded the regiomers 412 (major) and 413 (minor). On examiningthe characteristic 1HNMR peak of the lone pyrimidine ring’s proton (at its 5th position),the respective structures of regiomers 412 and were assigned (See Figure S1 anddetailed discussion in the supporting information). In 412, this proton appeared at ä6.37 ppm while in the case of regiomer 413, it appeared slightly downfield at ä 6.65ppm because of the de-shielding effect of the adjacent electronegative –Cl atom (atpyrimidine’s 4th position). Various secondary cyclic amines were then appended toboth the regiomers 412 and 413 to yield the desired FAQ-pyrimidine hybrids (414-421 and 422-429) as shown in Scheme 18.

Scheme 18. (Reaction conditions): (i) t-BuOH, 110 °C, 6h, 90%; (ii) CoCl2.6H2O,NaBH4, MeOH, 0 °C-rt, 2h, 83%; (iii) Et3N, DMF, 60 °C, 14h, 57% (6a) and 16%(6b); (iv) Secondary cyclic amines, K2CO3, DMF, 120 °C, 14h, 79-92%.



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The synthesised FAQ-pyrimidine hybrids (412, 413, 414-421 and 422-429) along withthe intermediates 409 and 410 were then evaluated against CQ-sensitive NF54 strain(an African strain isolated from a patient in Netherlands) and CQ-resistant Dd2 strain(a South-East Asian strain which is CQ and mefloquine-resistant) of P. falciparum.The results (IC50 values) are graphically illustrated in Figure 2 (also refer Table S1 inthe supporting information for numerical IC50 values). While the intermediate 409was moderately active (IC50 >3.35 ìM against NF54 strain and 3.20 ìM against Dd2strain of P. falciparum), intermediate 410 (4’-fluoro-bis-desethyl-amodiaquine) wasfound to display good activity with IC50 values of 46.06 nM and 58.72 nM against theCQ-sensitive and CQ-resistant strains, respectively. When pyrimidine was coupledwith the intermediate-410, a 4-5 fold drop in the antiplasmodial activity of the resultantintermediates 412 and 413 (bearing a –Cl substituent) was observed. However, whenthe –Cl substituent of pyrimidine was replaced with the cyclic amino substituents togenerate the final FAQ-pyrimidine hybrids (414-421 and 422-429), antiplasmodialactivity was greatly improved with compound 423 being the best active moleculewith IC50 = 4.69 nM against the CQ-resistant Dd2 strain, a 47.3-fold better activitythan CQ and 2.8-fold better than artemisinin. A similar trend of increasingantiplasmodial activity on the substitution of pyrimidine’s –Cl substituent with cyclicamines was observed in our previous studies21,22 reconfirming the importance of thesesubstitutions on aminoquinoline-pyrimidine hybrids. On comparing the activities ofregiomers 412, 414, 416 and 419-421 (pyrimidine ring attached from its 4th-positionto the FAQ scaffold) with their corresponding regiomeric counterparts 393, 414, 416and 419-421 (pyrimidine ring attached from its 2nd-position to the FAQ moiety) it canbe reasoned that the former hybrids showed better antiplasmodial activity than thelatter regiomers. However, this trend was reversed in hybrids having a piperidin-1-yl,morpholin-1-yl or a thiomorpholin-1-yl substitution (415, 417 and 418 vs 423, 425,and 426). These results indicate that cyclic amine substituents may have a greaterimpact on activity profile than the point of attachment of FAQ scaffold to the pyrimidinering.

While no obvious trend in the antiplasmodial activity with the change in the cyclicamino substitution was observed, however, hybrids containing the piperidine andmethyl/ethyl piperazine cyclic amine substituents were found to be more active. The

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changes in antiplasmodial activity were more evident in regiomers 422-429 wheremoving from piperidin-1-yl substituent (423) to 5-membered pyrrolidin-1-yl (422) or7-membered azepan-1-yl (424) and from methylpiperazin-1-yl (427) to ethylpiperazin-1-yl (428) and phenylpiperazin-1-yl (429) showed a marked reduction in theantiplasmodial potency of FAQ-pyrimidine hybrids.

All the synthesized FAQ-pyrimidines exhibited better antiplasmodial potency againstthe resistant strain than the reference drug (CQ), except one intermediate (413). The RI(resistance index; ratio of antiplasmodial IC50 of resistant/sensitive strains) values foralmost all hybrids were near the ideal value (RI ≅1) and better than CQ (RICQ = 8.22).Eleven representative compounds were further assessed for their in vitro cytotoxicityagainst CHO cells (Table S1, supporting information). It was found that intermediate-410 was itself cytotoxic to CHO cells at 31.32 ìM. FAQ-pyrimidine hybrids 414, 423,425 and 426 exhibited cytotoxicity against CHO cells in the micromolar range. However,it appeared that the cytotoxicity of the FAQ-pyrimidines may depend on the cyclic aminosubstitution, and hybrids 427 and 428 with 4-methylpiperazin-1-yl and 4-ethylpiperazin-1-yl substituents, respectively, were found to possess low cytotoxicities (IC50 = 58.23ìM and 80.33 ìM) against CHO cells. Although some compounds were cytotoxic tothe CHO cells, the selectivity index (SI) values of the FAQ-pyrimidines were high (SINF54

range: 237-3798 and SIDd2 range: 169-3432) suggesting acceptable therapeutic index forthe synthesized hybrids [SI = (IC50 (μM) for cytotoxicity to VERO cells) x 1000] / (IC50

(nM) for antiplasmodial activity].

Figure 14. Antiplasmodial activity plot of FAQ-pyrimidine hybrids



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Two potent molecules 419 and 423 were selected for further in vivo evaluation in a P.berghei mouse malaria model. The compounds were administered to the P. berghei-infected mice through intraperitoneal route, once daily on days 0, 1, and 2 days postinfection, and monitored for apparent signs of toxicity, parasitemia, and survival untilday 28 post-infection (Table 2). Compound 423 displayed better antimalarial activitythan 419 and cured 5 out of 5 mice while 419 cured 3 out of 5 mice, respectively. Atthe same dose (oral), CQ displayed cure of 1 out of 5 mice and AQ cured 5/5 mice,respectively. At lower dose (11.1 mg/kg), only 2 out of 5 419-dosed mice survivedwith mean survival time of 19.8 days. In comparison, at 11.1 mg/kg dose, hybrid 423is able to suppress parasitemia for the duration of the dosing period with 5/5 survivalof mice, but it was unable to completely clear the parasites from the infected mice. Onthe other hand at the same oral dose, AQ cured 4/5 mice while CQ led to no cure butsurvival of 5/5 mice.

Table 8. In vivo antimalarial activity of FAQ-pyrimidine hybrids in the P.berghei”mouse malaria model

aThe % suppression in parasitemia is calculated by considering the mean parasitemia in the vehiclecontrol aps 100%. Parasitemia suppression <80% is considered as nonsignificant; bNumber of animalsthat survived on day 28/total animals in the group (the day of the death post-infection); cMST, meansurvival time (days); dNumber of mice without parasitemia (cured) until day 28 post-infection;1 oral-administration; 2intraperitoneal-administration

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The metabolic stability of compound 419 was also examined by measuring its half-life(t1/2) and intrinsic clearance (CLint) upon incubation with human liver microsomes in thepresence and in the absence of NADPH. Verapamil served as the positive control for theexperiment. Compound 419 displayed a t1/2 of 16.7 min and an intrinsic clearance of82.8 ìl.min-1.mg-1. In comparison, AQ was found to have the literature values of t1/2= 5.4min and CLint= 431 ìl.min-1.mg-1.

CQ and AQ are weak bases and are believed to diffuse across the food vacuolemembrane of the parasite in a neutral form. But inside the acidic food vacuole (pH ~5.6)they get protonated and are accumulated thereby exerting their antiplasmodial action byinterfering with the parasite’s heme-detoxification mechanism. Mechanistic heme bindingstudies were conducted with the active FAQ-pyrimidine hybrid 419 to validate heme-binding as a mode of action of these hybrids using the standard methods. The increasingconcentrations of 419 led to a decrease in the Soret band (ëmax 402 nm) of the monomericheme at both pH 5.6 (corresponding to parasite’s acidic digestive vacuole) and pH 7.4(physiological pH) as shown in Figure 15A and 15C. Utilizing a continuous variationmethod (Job’s plot), the binding stochiometry of 419 with heme was determined. TheJob’s plot showed maxima at 0.5 mole-fraction of 419 indicating a 1:1 bindingstoichiometry with monomeric heme at both pH 5.6 (Figure 15B) and 7.4 (Figure 15D).



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Figure 15. Spectrophotometric titration of monomer heme with increasing concentrationsof compound 419 at pH 5.6 [A] and pH 7.4 [C]; Job’s plot of (monomeric heme + 419)complex formation at pH 5.6 [B] and pH 7.4 [D] (with CQ as reference drug).

Figure 16. [A] Spectrophotometric titration of ì-oxodimeric heme with increasingmole-fractions of compound 419 at pH 5.8; [B] Job’s Plot of (μ-oxodimeric heme +419) complex formation at pH 5.8 (with CQ as reference drug).

Similar binding interactions were observed for the interaction of 419 with dimericheme as shown in Figure 4 and a 1:1 binding stoichiometry of 419 with dimer hemewas detected. CQ was used as a reference for all these experiments and showed a 1:1binding stoichiometry.

Design, synthesis and application of nanomaterials in the synthesisebiologically active molecules

Catalysis plays a pivotal role in chemical transformations and is subdivided intoheterogeneous and homogeneous catalysis. In heterogeneous catalysis, synthesizednanoparticles that have particle sized nm dimensions are used as catalyst. Due to theirsmall size, they provide large surface area to volume ratio and better interaction withsubstrate molecules. The use of metal-based nanoparticles in organic transformationssuch as coupling reactions, multicomponent reactions, hydrogenation etc. providesbetter and greener results. The nanomaterials can be prepared hydrothermally,calcination, sol-gel, precipitation methods etc. The synthesized nanomaterials are thencharacterized by using various tools namely HR-XRD, HR-TEM, EDX, Elementalmapping, FE-SEM, XPS, ICP analysis, FT-IR, BET, STEM measurements etc.

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Figure 17. Summary of nanomaterials catalysed synthesize biologically activemolecules

Many important heterocycles are synthesized by making use of this methodology e.g.aminoindolizines, quinoline, indole, furans, flavanones, benziimidazoles, benzofuran,etc. (Figure 17). 69-89 The use of such catalytic system generally follows green chemistryprinciples and reduces the use of harmful solvents and additives.

Acknowledgement: I would like to thank University of Delhi for all the administrativesupport and funding agencies like Department of Science and Technology and SERB,New Delhi; Council of Scientific and Industrial Research, New Delhi; UniversityGrants Commission, New Delhi; MJ Fox Foundation, USA; and DU-DST PURSEgrant for the financial support. I would also like to acknowledge with much appreciationto all of my former and present students, post-doctoral fellows for their help andsupport in achieving the goals. My sincere thanks to Indian Science Congress for



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giving me this opportunity and honour. At the end, I sincerely thanks to my family fortheir untiring help, support and sacrifice.

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nanoparticles on alumina/silica support. ChemistrySelect, 2017, 13, 3889 – 3895.

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[74] Reddy, P, L.; Tripathi, M.; Arundhati, R.; Rawat, D, S. Chemoselective hydrazine

mediated transfer hydrogenation of nitroarenes by Co3O4 nanoparticles immobilized

on an Al/Si mixed oxide support. Chemistry–An Asian Journal, 2017, 12, 785 – 791.

(Synfacts, 2017, 13, 0766 )

[75] Gulati, U.; Rawat, S.; Rajesh, U, C.; Rawat, D, S. CuO@Fe2O3 catalyzed C1-

alkynylation of tetrahydroisoquinolines (THIQs) via A3 coupling and its

decarboxylative strategies. New J. Chem., 2017, 16, 8341 – 8346.

[76] Gulati, U.; Rajesh, U, C.; Rawat, D, S. CuO/Fe2O3 NPs: robust and magnetically

recoverable nanocatalyst for decarboxylative A3 and KA2 coupling reactions under

neat conditions. Tetrahedron Lett., 2016, 57, 4468 – 4472. (Synfacts, 2016, 12, 1314 ).

[77] Reddy, P, L.; Arundhati, R.; Tripathi, M.; Rawat, D, S. CuI nanoparticles mediated

expeditious synthesis of 2-substituted benzimidazoles using molecular oxygen as the

oxidant. RSC Advances, 2016, 6, 53596 – 53601.

[78] Rajesh, U. C.; Pavan, V, S.; Rawat, D, S. CuI nanoparticles mediated expeditious

synthesis of 2-substituted benzimidazoles using molecular oxygen as the oxidant. RSC

Advances, 2016, 6, 2935 – 2943.

[79] Rajesh, U. C.; Purohit, G.; Rawat, D, S. One-pot synthesis of aminoindolizines and

chalcones using CuI/CSP nanocomposites with anomalous selectivity under green

conditions. ACS Sustainable Chem. Eng., 2015, 3, 2397 – 2404.

[80] Rajesh, U. C.; Pavan, V, S.; Rawat, D, S. Hydromagnesite rectangular thin sheets as

efficient heterogeneous catalysts for the synthesis of 3-substituted indoles via

Yonemitsu-type condensation in water. ACS Sustainable Chem. Eng., 2015, 3, 1536 –

1543

[81] Rajesh, U. C.; Kholiya, R.; Thakur, A.; Rawat, D, S. [TBA][Gly] ionic liquid promoted

multi-component synthesis of 3-substituted indoles and indolyl-4H-chromenes.

Tetrahedron Lett., 2015, 56, 1790 – 1793.



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[82] Reddy, P. L.; Arundhati, R.; Rawat, D, S. Cu(0)@Al2O3/SiO2 NPs: an efficient reusable

catalyst for the cross coupling reactions of aryl chlorides with amines and anilines.

RSC Advances, 2015, 5, 92121 – 92127.

[83] Rajesh, U. C.; Wang, J.; Prescott, S.; Tsuzuki, T.; Rawat, D, S.; RGO/ZnO

nanocomposite: An efficient, sustainable, heterogeneous, amphiphilic catalyst for

synthesis of 3-substituted indoles in water. ACS Sustainable Chem. Eng., 2014, 3, 9 –

18.

[84] Rajesh, U. C.; Kholiya, R.; Pavam, V, S.; Rawat, D, S. Catalyst-free, ethylene glycol

promoted one-pot three component synthesis of 3-amino alkylated indoles via Mannich-

type reaction. Tetrahedron Lett., 2014, 55, 2977 – 2981.

[85] Rajesh, U. C.; Rawat, D, S. Functionalized superparamagnetic Fe3O4 as an efficient

quasi-homogeneous catalyst for multi-component reactions. RSC Advances, 2014, 4,

41323 – 41330.

[86] Rajesh, U. C.; Manohar, S.; Rawat, D, S. Hydromagnesite as an efficient recyclable

heterogeneous solid base catalyst for the synthesis of flavanones, flavonols and 1, 4

dihydropyridines in water. Adv. Synth. Catal., 2013, 355, 3170 – 3178.

[87] Purohit, G.; Rawat, D, S.; Reiser, O. Palladium nanocatalysts encapsultated on porous

silica@magnetic carbon-coated cobalt nanoparticles for sustainable hydrogenations

of nitroarenes, alkenes and alkynes, ChemCatChem, 2019, DIO: 10.1002/

cctc.201901371.

[88] Purohit, G.; Rawat, D, S. Hierarchically porous mixed oxide sheet like copper-

aluminium (CuAl-MO) nanocatalyzed synthesis of 2-alkynyl-pyrrolidines/piperidines

and their ideal green chemistry metrics. ACS Sustainable Chem. Eng. 2019, In Press.


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January 3-7, 2020,Bangalore

II

ABSTRACTS OF

PLATINUM JUBILEE LECTURE /

AWARD LECTURES


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Platinum Jubilee Lecture

SYNTHESIS OF N/O-CONTAINING FUSED HETEROCYCLICCOMPOUNDS OF BIOLOGICAL SIGNIFICANCE

Kamal K. KapoorDepartment of chemistry, University of Jammu, Jammu-180 006, Jammu and

Kashmir, [email protected]

Key words: Furoquinoxalines, imidazo[1,2-a]pyridines, styrylquinoxalinones,cholinesterase enzymes, Alzheimer’s disease

Furoquinoxalines, imidazo[1,2-a]pyridines and styrylquinoxalinones are knownas key structural motifs of a wide variety of bioactive agents and thus areattractive agents for exploring chemical biology/bioorganic chemistry, medicinalchemistry and new drug discovery.

Computational studies on the donepezil-bound crystal structure of humanacetylcholinesterase (4EY7) has shown that “styrylquinoxalin-2(1H)-one” scaffoldperfectly occupies the active site gorge of the enzyme and display all key interactionsrequired to inhibit the catalytic activity of the enzyme.

In this presentation our efforts towards the synthesis of furanoquinoxalines andimidazopyridinesemploying metal free carbocation cyclization along withmalononitrile-activated and in-vitro biological evaluation of styrylquinoxalinones willbe described.

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PROF. R.C. SHAH MEMORIAL LECTURE

PL: 1. CHIRAL BRØNSTED ACIDS FOR ASYMMETRICORGANOCATALYSIS

Vinod K. SinghDepartment of Chemistry, IIT Kanpur


Chiral Brønsted acid catalysis is a growing area of asymmetric organocatalysis. Thesehave enabled a variety of enantioselective reactions by the activation of carbonylcompounds, imines and related systems, through the formation of a hydrogen bond orion pair to create a rigid chiral environment. Depending upon pKa of these catalysts,they can be termed as weak and strong Brønsted acids. In this lecture, I will describeenantioselective Mannich-type and Aldol-lactonisation reactions on the synthesis ofisoindolinones and phthalides using chiral phosphoric acids which falls under thelatter category.1, 2

References and Notes:

[1] (a) Unhale, R. A.; Molleti, N.; Rana, N. K.; Dhanasekaran, S.; Bhandary, S.;Singh, V.K. Tetrahedron Lett. 2017, 58, 145; (b) Suneja, A.; Unhale. R. A.;Singh, V. K. Org. Lett. 2017, 19, 476; (c) Unhale, R. A.; Sadhu, M. M.; Ray,S. K.; Biswas, R. G.; Singh, V. K. Chem. Commun. 2018, 54, 3516.

[2] Ray, S. K.; Sadhu, M. M.; Biswas, R. G.; Unhale, R.; Singh, V. K. Org. Lett.2019, 21, 417.

107th Indian Science Congress, Bangalore 2020


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Foreign Speaker

PL: 2. Photo-Functional Bioplastics for Sustainability

Tatsuo Kaneko*, Maninder Singh, Md Asif Ali, Kenji Takada, Maiko K. Okajima Graduate School of Advanced Science and Technology, Japan Advanced Institute

of Science and Technology, Japan*Corresponding author: [email protected]

Bio-derived and degradable plastics are indispensable for establishment of green-sustainable future society with SDGs consciousness. Conventional bioplastics suchas aliphatic polyesters are successfully circulated in a specific field. In order to widenthe field of bioplastics, aromatic bio-based polymers are required to synthesize andmaterialize. Based on this background, we have prepared aromatic biopolymers derivedfrom exotic biochemicals with rigid backbones [1-2]. Here we have used 4-aminocinnamic acid (4ACA) which was bioavailable by a microorganismal genetic-engineering. 4ACA was successively photodimerized in the solid state with aquantitative conversion by illumination of UV-LED with a wavelength of 300 nm, toobtain bio-derived aromatic diamines, 4,4’-diaminotruxillates. The aromatic bio-diamines were polymerized with diisocyanates, diacids, and tetraacid dianhydrides toproduce aromatic polymers such as polyureas, polyamides, and polyimides,respectively. These bio-based polymers showed very high thermal/mechanicalperformance and are very durable in the film states but showed a phonically-induceddegradation behavior in solution under controlled condition which is very significantin both industry and ecology.

Under the concern about marine-ecology issues, we established the system ofphotonically-induced water-solubilization of bionylon from itaconic acid (IA) [3],This is very important for development of environmentally-corrosive fishing gears toavoid the ghost-fishing. These functions can open the new era of high-performanceand degradable polymers. The researches were supported by Grant-in-Aid from ALCA(JPMJAL1010) and COI (JPMJCE1315) of JST, Japan.

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Figure. Structure of bio-polyamides from itaconic acid and its photo-induced water-solubilization behavior

References:

[1] Kaneko, T., et al., Nature Mater., 2006, 5, 996.[2] S. Tateyama, T. Kaneko et al. Macromolecules, 2016, 49, 3336.[3] Ali, M. A., Kaneko, T. et al. Macromolecules 2013, 46, 3719.

PL: 3. PHOTO- AND ULTRASOUND TRIGGEREDMULTIFUNCTIONAL NANOPARTICLES FOR THE

TREATMENT OF GLIOBLASTOMA

Ravindra K Pandey, Ph.D.PDT Center, Roswell Park Cancer Institute, Buffalo, NY, USA

Both photodynamic therapy (PDT) and sonodynamic therapy (SDT) treatment ofvarious types of cancers, including glioblastoma are based on external stimulation.The former, uses light and a photosensitizer (PS) is known for decades while the latterrequires ultrasound (US) to excite the photosensitizer is still an emerging concept. Incontrast to light, the US has no limitation in depth of tissue penetration. We have



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shown that formulation of certain PSs in a non-toxic and biodegradable polyacrylamide-based nanoparticle (NP) enhances their tumor-imaging and therapeutic potential. Thefocus of our research has been to develop certain target-specific multifunctional NPsand investigate their utility in the treatment of glioblastoma in combination of PDT &SDT with and without chemotherapy.

The success of polyacrylamide nanoparticles (PAA NPs) in drug delivery spurredthe creation of novel variations in surface functional groups. We propose a simple,reproducible, efficient, and novel approach for the creation of modifiable nanoparticlesthat are characterized by their long-term stability and high loading efficiency. In ourexperiments, hydrophobic photosensitizers, such as HPPH and other proposed PSwere able to be post-loaded at more than 90% efficiency across all types of PAA-based NPs. Moreover, the NPs have tunable release kinetics; ranging from 9% to23% released by 96 hours in 1% serum albumin, depending on the surface modificationused. The overall goal of this project is to develop an all-in-one NP for cancer imagingand therapy. The initial in vitro and in vivo results are quite promising and provide anopportunity not only to clarify the true extent of the tumor margin, but also to destroyany non-resectable tumor tissue. The synthesis and biological efficacy of the non-toxic polyacrylamide-based NPs will be discussed.

PL: 4. DESIGN AND DEVELOPMENT OF CATALYSTS FORGREEN, ENERGY EFFICIENT AND ECONOMICAL

PROCESSES & TECHNOLOGIES FOR CHEMICAL INDUSTRY

M. Lakshmi KantamDr. B. P. Godrej Distinguished Professor, J. C. Bose National Fellow (DST)

Department of Chemical Engineering, Institute of Chemical TechnologyMatunga, Mumbai-400019, India

Catalysis is a highly demanded technology for sustainable society and drives innovationin many other fields. Achieving the high catalytic selectivity is the goal of catalysisscience in 21st century. Today over 90 % of all industrial chemicals are produced withthe aid of catalysts. World catalyst demand is forecast to grow to $34.1 billion in 2025and earlier global sales of catalysts is around 20.6 billion dollars. The catalysis of

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organic reactions by homogeneous and heterogeneous catalysts remains a vibrant fieldof scientific inquiry. It attracts a diverse group of scientists with specialties spanningsynthetic organic chemistry, inorganic chemistry, surface science, material science,reaction engineering and computational modelling.

Hydroxyapatite (HA) is a hydrated calcium phosphate material, which is an importantbiomaterial because of its similarity to the mineral component of mammalian bone.We have utilized these materials and their metal exchanged materials as catalysts forC-C and C-N coupling reactions. Similarly, hydrotalcites, anionic clays have beenexchanged with different metal ions and successfully applied in a number of organictransformations for example: osmium exchanged hydrotalcites in asymmetricdihydroxylation and palladium exchanged catalysts in C-C coupling reactions. Reactivenanocrystalline metal oxides are newly discovered materials that could changedramatically the way these organic transformations are carried out. Nanostructuredmetal oxides are widely used in catalysis where the acidic/base properties and thecatalytic activities are closely related to the size and morphology of the oxides.Heterogeneous catalysts in the form of nanosize transition metal particles dispersedonto microporous supports have been applied to chemical conversion technologiesfor many decades. We have been exploiting different nanocrystalline metal oxides(ex., MgO, CuO, ZnO, TiO2 etc.) prepared by Prof. Klabunde for a number of organicreactions viz., Claisen-Schmidt, Wadsworth–Emmons, Wittig, aldol, asymmetricepoxidation, Henry, Michael, and hydrosilylation reactions etc. These materials arealso used as supports for the efficient exchange of different metal/metal ions, whichare further used as supported metal catalysts for different organic reactions. Overviewof our work on the design and development of catalysts for green, energy efficient andeconomical processes & technologies for chemical industry will be presented.



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PL: 5. HALOGEN BONDING IN THYROID HORMONEACTION AND MEMBRANE TRANSPORT

G. MugeshDepartment of Inorganic & Physical Chemistry

Indian Institute of Science, Bangalore 560 012, IndiaE-mail: [email protected]

Thyroid hormones regulate almost every process in the body, including bodytemperature, growth, and heart rate. They influence carbohydrate metabolism, proteinsynthesis and breakdown, and cardiovascular, renal, and brain function. Thedeiodination of thyroxine (T4) by iodothyronine deiodinases (DIOs) play a crucialrole in thyroid hormone action. These enzymes contain selenocysteine, the 21st aminoacid, in their active sites. The phenolic ring (5′) deiodination of T4 by the type 1 and2 enzymes (DIO1 and DIO2) produces the biologically active hormone, 3,5,3′-triiodothyronine (T3), whereas the tyrosyl ring (5) deiodination of T4 by the type 3enzyme (DIO3) produces the biologically less active hormone rT3. Therefore, thecomplex biochemical dehalogenation pathways play an important role not only inhuman hormone action, but also in the development of drugs for thyroid-relateddisorders.

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In this lecture, the chemical mechanism by which the deiodinases and organoseleniumcompounds selectively activate and inactivate the thyroid hormones will be discussed.The role of iodine atom, halogen bonding and endosomolytic peptides in the membranetransport of fluorescent molecules will also be discussed.

References:

[1] Manna, D.; Mugesh, G. Angew. Chem. Int. Ed. 2010, 49, 9246.

[2] Manna, D.; Mugesh, G. J. Am. Chem. Soc. 2011, 133, 9980.

[3] Manna, D.; Mugesh, G. J. Am. Chem. Soc. 2012, 134, 4269.

[4] Raja, K.; Mugesh, G. Angew. Chem. Int. Ed. 2015, 54, 7674.

[5] Mondal, S.; Manna, D.; Mugesh, G. Angew. Chem. Int. Ed. 2015, 54, 9298.

[6] Mondal, S.; Mugesh, G. Angew. Chem. Int. Ed. 2015, 54, 10833.

[7] Mondal, S.; Raja, K.; Schweizer, U.; Mugesh, G. Angew. Chem. Int. Ed.2016, 55, 7606.

[8] Ungati, H.; Govindaraj, V.; Mugesh, G. Angew. Chem. Int. Ed. 2018, 57,8989.

PL: 6. THERMORESPONSIVE DEGRADATION CONTROL OFPOLYSACCHARIDES FOR DRUG DISCOVERY

Kazuaki Matsumura1 and Punnida Nonsuwan1,2

1Japan Advanced Institute of Science and Technology, Nomi, Japan,[email protected], 2Chulalongkorn University, Bangkok, Thailand

Keywords: biodegradable, drug delivery, polysaccharide, hydrogel

The development of hydrogel technologies has been more interested in biomedicalfields, particularly degradable hydrogel which now pay attention to many tissueengineering scaffolds, wound dressings and drug delivery system. Among of theseapplications drug delivery has become attractiveness. Hydrogel degradation can be



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used to control the release rate of the delivered component and also be safety to bodywhen it is no longer needed. In our laboratory, successfully prepared degradationhydrogel by the reaction between the aldehyde-dextran and amino groups. Theformation of Schiff base and multiple crosslinking points were formed leading tohydrogel formation and suddenly started degradation which cannot control thedegradation rate of hydrogel after Schiff base is formed [1]. However, the synthesis ofoxidized dextran based hydrogel via thiol-Michael addition without amino groupcooperation was suggested for overcoming an unexpected degradable time.

References

[1] S.H. Hyon, N. Nakajima, H. Sugai, K. Matsumura, J. Biomed. Mater. Res. A2014, 102, 2511

[2] W. Chmpibul, T. Nagashima, F. Hayashi, N. Nakajima, S.H. Hyon, K.Matsumura, J. Polym. Sci. A 2016, 54, 2254-2260.

PL: 7. AN UNEXPECTED ENTRY INTO THE REALM OFSULFINIMINES DURING THE TOTAL SYNTHESIS OF

POLYOL NATURAL PRODUCTS

Kavirayani R. PrasadDepartment of Organic Chemistry, Indian Institute of Science, Bangalore


Our research group has been involved in the total synthesis of polyketide naturalproducts using chiral pool tartaric acid and chiral furyl carbinols as the four carbonfour hydroxy synthon. During the course of our synthesis of the natural productschulziene B, we had an unexpected entry to the realm of sulfinimine chemistry. Thisled to us to develop procedures for the direct addition of ketones, substituted methylenones and other nucleophiles to non-racemic sulfinimines. In this talk, these additionreactions and their application to the total synthesis of alkaloids will be discussed.1-4

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References

[1] Reddy, A. A.; Reddy. P. O.; Prasad, K. R. J. Org. Chem. 2016, 81, 11363–11371.

[2] Reddy, A. A.; Prasad, K. R. J. Org. Chem. 2017, 82, 13488-13499.

[3] Reddy, A. A.; Prasad, K. R. J. Org. Chem. 2018, 83, 10776-10785.

[4] Khandare, S.; Prasad, K. R. (unpublished results).



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January 3-7, 2020,Bangalore

III

ABSTRACTS OF

INVITED LECTURES


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IL: 1. PYRANONE-DERIVED MULTI-COLOUREDFLUORESCENT MOLECULES FOR ORGANIC

ELECTRONICS AND BIOMEDICAL APPLICATIONS

Dr. Atul GoelDivision of Medicinal and Process Chemistry, CSIR-Central Drug Research

Institute, Lucknow,

Fluorescent small organic molecules offer a powerful tool for fabricating both medicaland optoelectronic devices for their potential applications in cutting-edgenanotechnologies and nanomedicinces. The importance of new efficient fluorescentorganic dyes has been realized due to their wide applications ranging from labeling ofamino acids, peptides, proteins for bioimaging to nano crystal semiconductors andelectroluminescent devices like organic light emitting devices (OLEDs) and solarcells. As the demand for fluorescent molecules continues to grow, the need to developnew methodologies for the rapid generation of highly fluorescent materials andevaluation of their optoelectronic and biomedical properties have become an area ofhigh importance. Our research group is progressively involved in the design anddevelopment of tailored small molecule fluorescent probes derived from donor-acceptorpyranones for selective recognition and imaging of cell organelles and biometal ionsin biological systems. In addition, we are engaged in the synthesis of new organicfluorescent dyes with absorption and emission at variety of wavelength for multi-coloured optoelectronic devices.1-4 Innovatively, we have demonstrated for the firsttime a novel ‘concept’ of inhibiting “Green Emission Defect” in fluorene-based OLEDsby transforming “green” fluorenone molecules to “blue” fluorenone compounds byswapping of donor-acceptor and chromophoric groups onto widely used fluorene/fluorenone ?-conjugated system.1,2 We have fabricated white OLEDs using pyranonesas an emitter doped with CBP host (0.5 wt%) which showed low turn-on voltage, highperformance and good external quantum efficiency.3 Furthermore we have successfullyprepared yellow fluorescent ‘Name Plates’ and blue fluorescent small ‘Display Panels’using pyranone-derived fluoranthenes and pyrenylarenes as emissive layers.2-4 In theperspective of biomedical sciences, we have designed and synthesized First YellowFluoranthenes by anchoring ethanolamine moieties for quantification of Lipid droplets

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accumulated in cervical cancer tissues of third stage cancer patients.5 We discovered‘First’ dual colorimetric-ratiometric fluorescent probe for selective and directvisualization of Labile Iron (III) pools in multicellular organisms (Soil nematode C.elegans).6 Recently we developed biocompatible Fluorescent Carbon Quantum Dots(CQDs) from Beetroot Extract for non-invasive in vivo Live Imaging in BALB/cMice and for the FIRST time in C. elegans.6 These results will be discussed during thepresentation.

References

[1] Goel, A. et al. US Patent Grant No 8946682: dated 03-02-2015.

[2] Goel, A. et al. Org. Lett. 2009, 11, 1289; Goel, A. et al. Org. Lett., 2008, 10,2553-2556; Goel, A. et al. Org. Lett., 2009, 11, 5122-5125; Goel, A. et al. J.Org. Chem. 2011, 76, 7474; Goel, A. et al. J. Org. Chem. 2010, 75, 3556;Goel, A. et al. J. Mater. Chem. 2012, 22, 14880.

[3] Goel et al., J. Org. Chem. 2019, 84,7674-7684; J. Org. Chem., 2018, 83, 3669-3678.

[4] Goel et al. Chem. Eur. J. 2017, 23, 4527-4531; Goel et al. J. Org. Chem.,2017, 82, 4766-4773.

[5] Goel et al. Org. Lett., 2014, 16, 756; Bioconjugate Chem., 2018, 29, 3606–3613

[6] Goel et al. Chem. Commun. 2015, 51, 5001-5004; Goel et al. J. Mat. Chem B,2018, 6, 3366-3371.

107th Indian Science Congress, Bangalore 2020 : Abstracts of Invited Lectures


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IL: 2. DEVELOPMENT OF SOME NEW PROTOCOLS INORGANIC SYNTHESIS

Krishna Nand SinghDepartment of Chemistry, Institute of Science, Banaras Hindu University,

Varanasi-221005, IndiaE-mail:[email protected], [email protected]

The present research pursuit of our group centers around the development of novelsynthetic methodologies accomplishing the fascinating C-X (X = H, COOH, NH2,halogens) bond formation particularly under metal-free and sustainable reactionconditions. The photoredox catalyzed strategies to offer new synthetic methodologieshave also been accomplished to achieve some important core moieties of interest.

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We have serendipitously discovered the use of sulfonylhydrazide as a thiol equivalentin organic synthesis. Some other notable contributions from our group include anunprecedented intramolecular CDC of acetophenone hydrazones with aldehydes tosynthesize 3,4,5-trisubstituted 1H-pyrazoles, decarboxylative thioamidation, andsynthesis of 2-substituted benzothiazoles. The reactions involving C-H activation ofmethylarenes, Chan-Lam type coupling, organocatalysis and decarboxylative couplingare also worth attention.

References:

[1] a) Organic Letters, 2018, 20, 744.; b) Advanced Synthesis & Catalysis, 2018,360, 1786.; c)Advanced Synthesis & Catalysis, 2018, 360, 422.; d) New Journalof Chemistry, 2017, 41, 14914. e) Organic Chemistry Frontiers, 2017, 4, 147.;f) Chemistry-An Asian Journal, 2016, 11, 696.; g) Organic Letters, 2015, 17,2656-2659. h) Chemical Communications, 2015, 51, 366.; i) Organic Letters,2015, 17, 976;.j) Advanced Synthesis & Catalysis, 2015, 357(6), 1181.; k)Organic Letters, 2014, 16 (14), 3624.; l) Organic Letters, 2013, 15(22), 5874.;m) Green Chemistry, 2014, 16, 351.;.n) Organic Letters, 2013, 15 (18), 4908.;o) Advanced Synthesis & Catalysis, 2013, 355, 1840.; p) Organic Letters,2013, 15 (16), 4202.; q) Organic Letters, 2012,14 (17), 4326.

IL: 3. REACTIONS OF AL-KYNES FOR THE SYNTHESIS OFOXA- AND AZA-CYCLES

Santosh J. GharpureDepartment of Chemistry, Indian Institute of Technology Bombay, Powai,

Mumbai – 400076E-mail: [email protected]

Metal catalysed transformations of alkynes have gained prominence for the synthesisof oxa- and aza-cycles. However, their utility under metal free conditions is still underexplored. In a programme directed at the stereoselective synthesis of oxa- and aza-cycles, we demonstrated that the oxonium and iminium ion intermediates generatedfrom vinylogous carbonates and carbamates in the presence of Lewis acids can be



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trapped with alkynes giving 2,3-disubstituted dihydrobenzofurans and indolinederivatives.1,2 The regioselectivity of alkyne iminium ion cyclization can be reversedusing a tethered hydroxy group as nucleophile. We have also developed divergentsynthesis of N-fused indolylidine, indole, and indoline derivatives using alkyne-iminium ion cyclisation. Interestingly, trapping of vinyl cation intermediate generatedafter alkyne iminium ion cyclisation was found to be dependent on the Lewis/Brønstedacid and solvent used.3 N-propargyl indoles were also used in the synthesis N-fusedindoline and indole derivatives under radical cyclization conditions as well as underLewis acidic conditions.4-5 Lewis acid mediated multi-segment coupling cascade forthe synthesis of densely substituted 4-alkoxy quinoline via an oxonium ion triggeredalkyne carboamination sequence involving C-C and C-N bond formations wasdeveloped.6 We have developed Lewis acid mediated segment coupling of alkyneswith aromatic aldehydes for the construction of cyclic ether-fused chromenes.7 Further,Lewis acid mediated ‘endo-dig’ hydroalkoxylation-reduction on internal alkynols gaverapid access to the cyclic ethers and 1,4-oxazepanes in a stereoselective fashion.8

Recently, we have used cascade radical cyclization on alkynyl vinylogous carbonatesfor the divergent synthesis of tetrasubstituted furans and dihydrofurans.9

References:

[1] Gharpure, S. J.; Prasath, V. J. Chem. Sci. 2011, 123, 943.

[2] Gharpure, S. J.; Prasath, V.; Kumar, V. Chem. Commun. 2015, 51, 13623.

[3] Gharpure, S. J.; Shelke, Y. G.; Kumar, D. P. Org. Lett. 2015, 17, 1926.

[4] Gharpure, S. J.; Shelke, Y. G. Org. Lett. 2017, 19, 5022.

[5] Gharpure, S. J.; Shelke, Y. G. Org. Lett. 2017, 19, 5406.

[6] Gharpure, S. J.; Nanda, S. K.; Adate, P. A.; Shelke, Y. G. J. Org. Chem. 2017,82, 2067.

[7] Gharpure, S. J.; Nanda, S. K.; Padmaja; Shelke, Y. G. Chem.-Eur. J. 2017, 23,10007.

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[8] Gharpure, S. J.; Vishwakarma, D. S.; Nanda, S. K. Org. Lett. 2017, 19, 6534.

[9] Gharpure, S. J.; Padmaja; Prasath, V.; Shelke, Y. G. Org. Lett. 2019, 21, 223.

IL: 4. APPLICATION ORIENTED ORGANIC SYNTHESIS: AFEW CASE STUDIES FROM OUR GROUP

D. Srinivasa ReddyCSIR-National Chemical Laboratory, Organic Chemistry Division,

Dr. Homi Bhabha Road, Pune, 411 008, IndiaE-mail: [email protected]

Our research group at CSIR-NCL, Pune focuses mainly on total synthesis of biologicallyactive compounds and medicinal chemistry with an ultimate aim of discovering drugs.We have accomplished the synthesis of >25 natural products which include cell-adhesion inhibitors, anti-bacterial, anti-inflammatory, anti-cancer agents, sexpheromones and insect repellents. In the medicinal chemistry front, several programshave been initiated with collaborations from academia and industry. In particular,significant progress has been made using a new concept called “Silicon-incorporationapproach”. This is relatively a new concept in drug discovery and very few companiesand academic groups are working on this. Our findings in pre-clinical species withthe silinezolid series suggest that silicon incorporation is highly useful in improvingbrain exposures. Additional details can be found on our website http://academic.ncl.res.in/ds.reddy/research. In general, I will talk about the highlights ofour efforts using organic synthesis towards societal importance.



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IL: 5. ARTIFICIAL NANO-TREES OF BLACK GOLD TOFIGHT CLIMATE CHANGE

Vivek PolshettiwarNanocatalysis Laboratory, Department of Chemical Sciences, Tata Institute of

Fundamental Research (TIFR), Mumbai, India. E-mail: [email protected], www.nanocat.co.in

Global warming is a serious threat to the planet and the living beings. One of the maincause of global warming is the increase in the atmospheric CO2 level. The main sourceof this CO2 is from the burning of fossil fuels in our daily lives. By using the techniquesof nanotechnology, we have transformed yellow gold to black gold, by changing thesize and gaps between gold nanoparticles. We achieved this by the concept of plasmoniccoupling. Black gold absorbs light over the entire visible region as well as in the near-infrared region of the solar spectrum. Notably, black gold generates a large number of“hotspots” which can be used for CO2 methanation reaction. Similar to the real trees,which uses CO2, sunlight, and water to produce food, the developed black gold actslike an artificial tree that uses CO2, sunlight and water to produce fuel (which can beideally used to run our cars). Notably, black gold can also be used to convert seawaterinto drinkable water using the heat that black gold generates after it captures sunlight. This work is a way forward to develop “Artificial Trees,” which capture and convertCO2 to fuel and useful chemicals. Although at this stage, the production rate of fuel islow, in coming years, we may be able to convert CO2 to fuel using sunlight atatmospheric condition, at a commercially viable scale, possibly using less expensivemetal and CO2 may then become our main source of clean energy. I will discuss theseresults in my talk.

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References

[1] V. Polshettiwar, et al. Angew. Chem. Int. Ed. 2010, 49, 9652; and ChemSusChem2017, 10, 3866.

[2] A. Fihri, M. Bouhrara, D. Cha, V. Polshettiwar, ChemSusChem 2012, 5, 85.

[3] A. Fihri, M. Bouhrara, D. Cha, Y. Saih, U. Patil, V. Polshettiwar, ACS Catal.2012, 2, 1425.

[4] M. Dhiman, B. Chalke, V. Polshettiwar, J. Mat. Chem. A. 2017, 5, 1935; and J.Mat. Chem. A. 2016, 4, 12416.

[5] V. Polshettiwar, et al. Angew. Chem. Int. Ed. 2011, 50, 2747.

[6] V. Polshettiwar, et al. Angew. Chem. Int. Ed. 2015, 54, 2190.

[7] B. Singh, K. R. Mote, C. S. Gopinath, P. K. Madhu, V. Polshettiwar, Angew.Chem. Int. Ed. 2015, 54, 5985.



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[8] (a) B. Singh, V. Polshettiwar, J. Mat. Chem. A. 2016, 4, 7005; (b) V. Polshettiwar,et al. Chem. Sci. 2012, 3, 2224.

[9] (a) R. Singh, R. Bapat, L. Qin, H. Feng, V. Polshettiwar, ACS Catalysis2016, 6, 2770; (b) N. Bayal, R. Singh, V. Polshettiwar, ChemSusChem, 2017,10, 2182, (c) R. Singh, N. Bayal, A. Maity, D. Jeiyendira Pradeep, J.Trébosc,P. K. Madhu, P. Lafon, V. Polshettiwar, ChemNanoMat, 2018, 4, 1231.

[10] A. Maity, R. Belgamwar, V. Polshettiwar, Nature Protocol, 2019, 14,2177.

[11] V. Polshettiwar, et al. Chemical Science, 2019, 10, 6694.

IL: 6. ASYMMETRIC C-C AND C-HETEROATOM BONDFORMATION THROUGH SPATIAL CONTROL AT REMOTE

PLACE

Ravi P. SinghDepartment of Chemistry, Indian Institute of Technology-Delhi,

Hauz Khas, New Delhi-110016, IndiaE-mail: [email protected]

The relay of electronic effects through a conjugated organic bonding system, such asthose in a vinylogous system provides opportunity to achieve transformation at a remoteplace. In this regard, vinylogous nucleophiles such as 2-silyloxy dienes (acyclic andcyclic) have emerged as powerful synthons. Particularly, 2-silyloxy furans useful inaccessing ã-butenolides and ã-lactone frameworks have been extensively explored inthe total synthesis of natural products and biologically active molecules. Theseheterocycles behave as a vinylogous nucleophile and after reaction with carbonyl andcarbonyl derived compounds (aldehydes, ketones, aldimines, ketimines, enals, enones,and heteroatom-stabilized carbenium ions) offer a multitude of highly functionalizedstructures.[1],[2],[3]Also, it grants a synthetic track, where a number of functional groupand selected stereochemistry can be established.

In this presentation, a highly diastereo- and enantioselective organo catalyticasymmetric vinylogous Mukaiyama-Michael addition of various silyoxyfurans to

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enones,[4] and vinylogous aldol reaction of 2-silyloxyindoles to ketones which proceedsthrough the bifunctional catalysis,[5] will be presented. Also vinylogous Mannichreaction of a highly regio- and diastereo- selective TMSOTf promoted synthesis ofchiral quaternary 3-aminooxindole butenolides from 2-silyloxy furans and chiralketimines will be discussed.[6] Highly regio- and diastereo- selective Lewis acidcatalyzed vinylogous Mannich reaction of 2-silyloxyindoles with chiral aldiminesand vinylogous nucleophilic substitution reaction with diarylmethanols will behighlighted.[7]

As an example of C-heteroatom bond formation, through spatial control atremote place, a novel organoctalytic route for the construction of 3-O-aryl-3-substituted-2-oxindoles with high reactivity and excellent enantioselectivity viastereoablative aryloxylation of 3-halooxindoles will be discussed.[8]

References:

[1] Casiraghi, G.; Battistini, L.; Curti, C.; Rassu, G.; Zanardi, F. Chem.Rev. 2011,111, 3076.

[2] Gupta, V.; Sudhir, V. S.; Mandal, T.; Schneider, C. Angew. Chem. Int. Ed. 2012,51, 12609.

[3] Huang, H.; Yu, F.; Jin, Z.; Li, W.; Wu, W.; Liang, X.; Ye, J. Chem. Commun.2010, 46, 5957.

[4] Jadhav A.P.; Rao, V. U. B.; Singh P.; Gonnade R. G.; Singh R. P. Chem. Commun.2015, 51, 13941.

[5] Kumar, K.; Jaiswal, M. K.; Singh R. P. Adv. Synth. Catal. 2017, 359, 4136.

[6] Rao, V. U. B.; Jadhav, A. P.; Garad, D.; Singh, R. P. Org. Lett.. 2014, 16, 648.

[7] Jadhav, A. P.; Ali, A.; Singh R. P. Adv. Synth. Catal. 2017, 359, 1508.

[8] Jadhav A.P.; Manchanda, A.; Jaiswal, M. K.; Singh R. P. Adv. Synth. Catal.2017, 359, 3917.



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IL: 7. DISCOVERY OF A PFA-M1 SELECTIVE INHIBITOROVER THE MAMMALIAN COUNTERPART AS

ANTIMALARIAL AGENT

Anthony AddlagattaDepartment of Applied Biology, CSIR-Indian Institute of Chemical Technology,

Tarnaka, Hyderabad, Telangana-500 007, India

Plasmodium parasites causing malaria has developed resistance to most of theantimalarials in use, including the artemisinin-based combinations, which are the lastline of defense against this pathogen. This necessitates for the discovery of new targetsand development of new antimalarials. Plasmodium falciparum aminopeptidase N(PfA-M1), an M1 class aminopeptidases, is critical for the asexual erythrocytic stageof development. Recently, this enzyme has been validated as a potential antimalarialdrug target. Herein we describe the design, synthesis, in vitro and cell based evaluationof amino acid hydroxamates attached to urea. The design is to extend the binding ofmolecules beyond S1’ pocket of the enzyme to achieve the much needed specificity.Most of the 40 compounds described in this study display inhibition at sub-micromolarrange against the recombinant PfA-M1 with negligible cytotoxicity on human celllines and strong inhibition of the malarial parasite growth. However, the selectivityindex between the malarial and mammalian M1 aminopeptidases for all thesecompounds is less except for compound 39, which inhibits the parasite enzyme bymore than 700 fold. Crystal structures of PfA-M1 at atomic resolution in complexwith at least nine different compounds including compound 39 establish the structuralbasis for the observed inhibition. Binding of molecule 39 extends beyond the S2’pocket where differences between the malarial and mammalian enzymes are apparent.Together, our data provide important insights for the rational and structure-based designof potent and selective inhibitors of PfA-M1 that will likely lead to novelchemotherapeutics for the treatment of malaria.

Keywords: Aminopeptidas, malaria. Design of inhibitors, selectivity

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IL: 8. A MULTI-SCALE APPROACH TO COMBAT THEMECHANISMS OF ANTIMICROBIAL RESISTANCE

THROUGH A BACTERIAL TOPOISOMERASE IA INHIBITOR

Vibha TandonSpecial Centre for Molecular Medicine, JNU, New Delhi-110067, India,

E-mail : [email protected]

Small molecules such as camptothecins and noncamptothecins are reported to inhibitdifferent classes of topoisomerases. PPEF (bisbenzimidazole) targeting topoisomeraseIA is observed to be an effective bactericidal agent against both Gram-positive andGram-negative bacterial strains and thus can be developed as potent broad-spectrumantibiotic against MDR strains. BisBenzimidazoles, observed as selective anddifferential inhibitors of Human and E. coli DNA topoisomerase I. We also dissectedthe mechanism of differential binding, as DMA and Hoechst33342 bind to Humantopoisomerase I in linear kinetics with reversible binding,whereas the same moleculebind to E. coli topoisomerase I in nonlinear and irreversible manner, which contributesto higher affinity and comparatively good IC50 values towards E. coli topoisomerase I.Activation of efflux systems and the formation of biofilm are majorly adapted bymicrobes to resist antimicrobial agents. PPEF treatment did not cause target specificmutation instead it leads to up-regulation of efflux gene in E. coli K12 as a mechanismof resistance. Microscopy, fluorescence spectroscopy and flow cytometry resultdemonstrate higher accumulation of PPEF in efflux gene deleted E. coli K12 mutants,and also suggest that Carbonyl Cyanide 3-Chlorophenylhydrazone (CCCP), resist theefflux of PPEF. PPEF and CCCP synergistically kill the persistent bacterial cells. Theabove two compounds together inhibit biofilm formation in P. aeruginosa. PPEF andCCCP together reduced bacterial load of E. coli ATCC25922 by 6 log10 in neutropenicthigh infection model of balb/c mice. Present study suggests that combination therapycould be a promising antimicrobial strategy tohandle MDR pathogenic strains.

References:

[1] Bansal, S., Tawar, U., Singh, M. et al. Int J. Antimicrob. Agents 2010, 35,186–90.



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[2] Nimesh, H., Sur, S., Sinha, D., Yadav, P., Anand, P., Bajaj, P., Virdi, J. S.,Tandon, V. (2014). J. Med. Chem., 2014, 57(12), 5238-5257.

[3] Devapriya Sinha, Stuti Pandey, Raja Singh, Vinod Tiwari, Kirti Sad & VibhaTandon, Scientific Reports, 2017, 7:44419 | DOI: 10.1038/srep44419.

[4] Singh R, Pandey S, Sur S, Tandon V. BBA - General Subjects, https://doi.org/10.1016/j.bbagen.2019.05.015

[5] Bansal S, Sur S, Tandon V. Biochemistry. 2019, 58(6):809-817.

IL: 9. THE LEGACY OF INDIAN PHARMACEUTICALDEVELOPMENT AND MANUFACTURING - CONVERTING

CHALLENGES INTO OPPORTUNITIES: A PROSPECTIVE ON“MAKE IN INDIA” MANTRA.

Dr Vijayavitthal T. MathadSr. Vice President – R&D

MSN Laboratories Private Limited, Hyderabad-India

Development and manufacture of both drug substances (API’s) and Drug products(Formulations) in India is struggling to sustain and striving to grow due to variousmultiple issue over the decade. Though the nations scientific and technical strengthsare being at the “top-order” and has established the fact that the India is a majorGlobal generic medicine supplier to reach out every corner of the world but has fewhurdles to qualify the regulatory norms due to multiple issues associated with currentGood Manufacturing Practices (cGMP) which may impacts the quality of the products.Other challenge is that the India has to become self-reliant to achieve the sustainabilityby efficient production of pharmaceuticals by avoiding the buying of billions of dollarworth of intermediates and starting materials from other nations. Due to few of theabove factors, many companies in India passing over the eroding roads.

Now, the situation is demanding the need of breaking this condition by understandingthe challenges associated with in-house development and manufacturing of many keystarting materials and intermediates by providing proper meaning to the dawn of “Make

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in India” Mantra; by strongly bringing collaboration between Indian universities/institutes and industries to fill the gap, secondly by integration of Science and internalsupply chain and finally by aligning the good manufacturing practices with the cultureof production and product testing.

Thus, this talk is mainly focussed to list out few of the challenges and opportunitiesassociated with “Make in India” formula in Indian Pharmaceutical Development andManufacturing world and possible solutions to adopt.



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Foreign Speaker

IL: 10 NEW AND EFFECTIVE CORROSION INHIBITORS FORN80 STEEL IN SWEET CORROSIVE ENVIRONMENT

Ambrish SinghSchool of Materials Science and Engineering, Southwest Petroleum University, 8

Xindu district-610500, Chengdu city, Sichuan province, China.E-mail: [email protected],; [email protected]

The corrosion inhibition performance of benzimidazole (BI) derivatives on N80 steelin 3.5% NaCl solution saturated with CO2 was investigated by electrochemical, weightloss, surface characterization, and theoretical studies. The electrochemical studiesincluded electrochemical impedance spectroscopy (EIS), potentiodynamic polarization(PDP), electrochemical frequency modulation (EFM) and electrochemical frequencymodulation trend (EFMT). Surface characterization was done using contact angle,scanning electron microscopy (SEM), and atomic force microscopy (AFM) techniques.DFT and molecular dynamics (MD) studies were done using Gaussian and MaterialsStudio softwares. All the studies suggested the good inhibition by the synthesizedinhibitors on J55 steel in 3.5% NaCl solution saturated with CO2 due to the formationof a protective film on the surface. Molecular dynamic simulation was applied tosearch for most stable configuration and adsorption energies for the interaction of theinhibitors with Fe (110) surface.

Keywords: Corrosion; Inhibitor; EFM; AFM; DFT; MD

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IL: 11. RE-EVALUATION OF THE CLASSICAL LANGMUIRISOTHERM FOR MODELING ADSORPTION PHENOMENA

Kaman SinghAdvance Surface Science Laboratory, Department of Chemistry, Babasaheb

Bhimrao Ambedkar University, (A Central University), Lucknow-226025, IndiaE-mail: [email protected]

Adsorption of a solute from its solution is an important technique which significancesthe characteristics of porous solid materials and fine powders. The estimation of Gibbsfree energy of adsorption (“Gº) and subsequent thermodynamic parameters of theadsorption process employing classical Langmuir equilibrium constant has becomecustomary in the adsorption literature and it seems impossible to address this semanticconfusion. Report/appeal is desired to the scientific community/organization (IUPAC)that there is an urgent need for re-evaluation of century-old classical Langmuiradsorption especially for the calculation of Gibbs free energy of adsorption (“Gº). Anattempt has been made to correct the related literature with a detailed comment onthis problem.

Keywords : Gibbs free energy of adsorption (“Gº); Re-evaluation, classical L2

adsorption model.



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Foreign Speaker

IL: 12. CATALYTIC KINETIC METHOD IN FOOD ANALYSISAT UNIVERSITY OF THE SOUTH PACIFIC: IODINE

CONTENTS IN FIJIANS FOODS

Ajenesh Chandra and Surendra Prasad*

School of Biological and Chemical Sciences, Faculty of Science, Technology andEnvironment,

The University of the South Pacific, Suva, FijiE-mail: [email protected]

Iodine is one of the essential trace elements for human health and is of interest innutritional research. It is vital for the generation of hormones in the thyroid. Thesehormones triiodothyronine (T3) and thyroxine (T4) are needed for the properfunctioning, growth and development of the human body. A deficiency of iodine inthe human body for prolonged periods will result in the thyroid working harder tomaintain the right amount of hormones in the blood and eventually leads to goitrewhich is the enlarged thyroid or swelling of the thyroid gland. Iodine deficiency in thehuman body is also linked to other health problems such as endemic cretinism, infantmortality, infertility, miscarriage, mental retardation, neuromuscular defects, anddwarfism. All these are known as Iodine Deficiency Disorders (IDDs). IDDs are majorhealth problems throughout the world, especially for young children and pregnantwomen. Thus, there is every need for public round the globe to be knowledgeable ofiodine and especially because of limited public awareness on the topic.

The catalytic kinetic method involving iodide catalysed reduction of Ce(IV) to Ce(III)by As(III) was validated and applied for the trace determination of iodine in differentFijian food samples of different categories. Trace levels of iodine (ng) were determinedsuccessfully using catalytic kinetic method for different categories of food samplesconsisting of 88 sub-samples. The coefficient of variation for the sample analysis wasless than 5.92 % with a mean and standard deviation of 2.57 ± 0.28%. The limit ofdetection (LOD) was 1.54 ng/mL and the limit of quantification (LOQ) was 4.90 ng/mL. The recovery of iodine added to different food samples ranged from 97.42 ±3.41% to 103.13 ± 4.76% with an average recovery of 100.18 ± 3.02%

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This presentation will highlight the sample preparation and iodine levelsdetermined in seaweeds, fresh seawater fish, egg, canned sardine, processed powderedmilk, canned tuna, clam, cheese, dalo/taro, cassava, potato, fresh liquid milk, butter/margarine, lettuce, English cabbage, Chinese cabbage, pumpkin, rice, long bean, bananaand tomato. The Fiji seaweeds, lumiwawa (brown seaweed) and sea grapes (greenseaweed) showed the highest levels of average iodine content of 6373.30 ± 0.39 ng/gand 1162.81 ± 0.61 ng/g, respectively followed by fresh seawater fish with an averageiodine content of 1043.24 ± 0.75 ng/g. Fresh food samples also showed higher iodineconcentrations than the factory processed foods. Good sources of iodine will behighlighted based on the findings form this research.

Keywords: Iodine, Iodine in foods, Kinetic determination, Catalytic determination

IL: 13. ROLE OF METALS IN ENGINEEREDMETALLOENZYNES: A COMPUTATIONAL INVESTIGATION

Garima JindalDepartment of Organic Chemistry, Indian Institute of Science, Bangalore,

Karnataka-560012

Enzymes are nature’s most efficient catalysts and are also harnessed in syntheticchemistry for the sustainable production of several non-natural products.1

Metalloproteins are enzymes that contain metal centres and catalyse several importantreactions. For instance, activation of inert C-H bonds to form complex molecules isefficiently carried out by these enzymes. This obviates the use of expensive and toxicmetals that are widely used in synthetic chemistry. The substitution of metals presentin the native protein with non-natural metals offers a great opportunity to utilize metalpromiscuity. While the existing metals in the natural system are limited to a select fewsuch as Fe, Mg, Ca, Zn etc., due to evolutionary pressure, there are several metals inthe periodic table which can be utilized to design artificial metalloproteins. Therehave been several reports where the native metal cofactors have been replaced withnon-natural metals. For instance, the Fe of heme cofactor in myoglobin and cytochromeP450 was replaced with Ir to achieve the carbene insertion into C-H bonds.2 Theseartificial metalloenzymes can then further be improved by directed evolution.3 However,



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the current progress has been limited and further developments require a clearunderstanding of the role of cofactors as well as side chain mutations on enzymeactivity. Computational methods can act as a cornerstone in understanding theintricacies of enzyme structure, function and, subsequent design to meet the currentdemands in several fields of catalysis.4 In this talk, I will discuss the use of densityfunctional theory (DFT) methods and quantum cluster (QM) approach to understandthe role of different metals such as Fe, Mn, Rh, Ir, Co in catalysing the reaction shownin Scheme 1. In the first step we chose a model system comprising of only the hemeunit which has been widely used in literature. Next, we applied the QM cluster approachby including the residues lining the active site in our calculations, and modelling theprotein environment using an implicit solvation model. The free energy profile isconstructed for the entire reaction and the activation barriers are compared.

Scheme 1. The insertion of carbene into C-H bonds catalysed by engineered myoglobin.

References

[1] Frushicheva, M. P.; Mills, M. J.; Schopf, P.; Singh, M. K.; Prasad, R. B.;Warshel, A. Curr. Opin. Chem. Biol. 2014, 21, 56.

[2] Key, H. M.; Dydio, P.; Clark, D. S.; Hartwig, J. F. Nature 2016, 534, 537.

[3] Renata, H.; Wang, Z. J.; Arnold, F. H. Angew. Chem. Int. Ed. 2015, 54, 3351.

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[4] Jindal, G.; Slánská, K.; Kolev, V.; Damborsky, J.; Prokop, Z.; Warshel, A.Proc. Natl. Acad. Sci. U. S. A. 2019, 116, 389.

IL: 14. POLYOLEFIN CATALYST TECHNOLOGY: PARADIGMSHIFT IN NEW GENERATION CATALYST DEVELOPMENT

FROM SERENDIPITY TO MATERIAL STRATEGY

Virendra Kumar GuptaReliance Research and Development Centre, Reliance Industries Limited,

Reliance Corporate Park, Navi Mumbai 400 701 IndiaE-mail: [email protected]; Mobile: +919998965284

High demand of performance polyolefins in automobile, infrastructure, packagingand other sectors provided impetus for development of specialty polyolefin materialsfor different niche applications. The production of specialty polyolefin can beaccomplished through homo and copolymerization processes catalyzed by transitionmetals through control of different product characteristics such as molecular weight,thermal, rheological etc. Polyolefin catalysis is a key to the technology developmentof polyolefin for developing advanced process in combination with design of productsfor different end use applications. Ziegler-Natta catalyst systems hold a position ofdominance through continuous innovations from 1st generation low performancecatalysts to high productivity supported 3rd to 5th generation catalysts. The presenttalk presents the development of specialty polyolefin based on homo and copolymersof ethylene as well as propylene using Reliance proprietary RELCATTM catalysttechnology.

References:

[1] Olefins to Polyolefin’ s - Science and Technology Trends; V Gupta, Y Thakare,B Desai; Advances in Petroleum Engineering; Studium Press LLC, USA Vol 2,Petrochemical, Chapter 10, Page 191-209, 2015.

[2] 15/312,303(2016)



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[3] A Catalyst System for Role of the (104) MgCl2 Lateral Cut in Ziegler”NattaCatalysis: A Computational Investigation; Jugal Kumawat, Virendra KumarGupta, and Kumar Vanka; J. Phys. Chem. C, 2018, 122, 285.

[4] Effect of donors on the activation mechanism in Ziegler – Natta catalysis: Acomputational studies; J Kumawat, V Gupta, K Vanka, Chem. Cat. Chem, 2016,8,1809.

[5] Attrition resistant catalyst system for manufacture of polyolefins; V Gupta, SSingh, J Joseph, KJ Singhala, BK Desai; US Patent 9,605,089; 2017.

[6] A Shape Controlled Pro-Catalyst and a Single Pot Process for Preparing theSame; V Gupta, S Chauhan, H Bhajiwala, S Sayyed, S Vakil; US PatentApplication No. Preparation of Polyethylene and a Method of its Preparation,S Kaur, H Patil, V Gupta, Indian Patent Application No. 451/Mum/2012, Feb20, 2012.

[7] A Polyolefin and a Process for Preparing the Same; V Gupta, Y Thakare, BDesai, S Vakil; US Patent Application No. 15/311,983(17, Nov 2016).

[8] A Semi - Continuous Process for The Synthesis of a Catalyst for Use in TheManufacture of Polyolefin’ s; K Singhala, V Gupta, S Singh; US Patent9,040,444B2, May 26, 2015.

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IL: 15. SYNERGISTICALLY ENHANCED HER ACTIVITY INMESOPOROUS Mo2C/MoO2 NANOCOMPOSITE

Vivek BagchiInstitute of Nano Science and Technology, Phase-10, Sector-64, Mohali, Punjab

160062, IndiaE-mail: [email protected], [email protected]

Heteroatoms, in a solid-solid interface, plays a crucial role in the HER activity of thecatalyst. Herein, a mesoporous composite of molybdenum carbide and molybdenumoxide using silica platform (SiMoCat) has been developed, which displays anoverpotential of 71 mV for driving a current density of 10 mA/cm2 which is veryclosed to the commercially available Pt/C (ç10 = 60 mV) and a Tafel slope values of 35mV/dec with an onset potential of 31 mV. The electrochemical stability of the catalystafter 3500 cycles do not show a significant change in the catalytic activity. The SiMoCatwas obtained by a judicious variation in the components and the reaction conditions,resulting in a composition containing 53% and 47% of Mo2C and MoO2 respectively.Theoretical studies revealed that integration of Mo2C and MoO2 interfaces within thematerial increases the number of states around the Fermi label due to the increase ofcharge transfer which enhances the catalytic activity. The value of ÄGH* on C (-0.0019



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eV) and O (-0.0017eV) site of Mo2C/MoO2 is much smaller than the individual Mo2C(2.01 eV) and MoO2 (7.14 eV) systems. Hence the H* adsorption kinetics of theinterface is better than the individual systems.

References:

[1] Nano-structured hybrid Molybdenum Carbides / Nitrides generated in-situ for HER Applications; Rajinder Kumar, Ritu Rai, Seema Gautam, Abir DeSarkar, N. Tiwari, Shambhu Nath Jha, Dibyendu Bhattacharyya, Ashok K Ganguliand Vivek Bagchi, J. Mater. Chem. A, 2017, 5, 7764-7768, DOI: 10.1039/C7TA01815K

IL: 16. PARTIAL PROTACs, READY-TO-USE NOVEL SMALLMOLECULE CHEMICAL ENTITIES FOR SYNTHESIS OF

PROTACs- AN EMERGING THERAPEUTIC TOOL ANDPROMISING NEW TECHNOLOGY IN DRUG DEVELOPMENT

Ravindra V SinghHead-India R&D, Custom Synthesis and Manufacturing, Sigma-Aldrich Chemicals

Pvt. Ltd (Merck Group Company), Bangalore-560100, IndiaE-mail: [email protected]

PROTACs, or proteolysis-targeting chimeras, are bifunctional small molecules thattarget proteins for degradation and removal from a cell.1 In comparison with a small-molecule inhibitor that requires high systemic exposure to sustain a pharmacologicaleffect, the PROTACs gives the advantage to act effectively with a low systemicexposure, which is translated into reduced off-target problems and toxic side effects.This technology takes advantage of the ubiquitin–proteasome system – the cellular‘dustbin’ mechanism – to selectively degrade a protein of interest (POI). In brief,PROTAC is a bifunctional heterodimer that binds simultaneously to a POI and to aubiquitin E3 ligase, the two ends being linked together by a chemical tether. The closevicinity of the POI and the E3 ligase caused by the PROTAC triggers its ubiquitination.The tagged POI is then recognized and decomposed by the proteasome 26S. Withhelp of this new tool, it is now possible to degrade “undruggable” proteins (which

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cannot be drugged via traditional methods). Conceptually, PROTACs are formed ofthree components: A= ligand for the target protein, B= a linker molecule and C=handle for an E3 ligase. In simpler terms, B and C referred as Partial PROTACs, acollection of novel small molecule chemical entities, and a crosslinker-E3 ligase ligandconjugates with a pendant functional group for covalent linkage to a target ligand(Figure1). When used in parallel, they facilitate streamlined synthesis of PROTACsand the generation of PROTACs libraries. Recent advances in small-molecule-inducedproteolysis of targeted proteins, and an outlook on future perspective in this field willbe discussed in this talk.

Figure 1: The components of PROTACs

References

[1] Crews C. M, et al. J. Med. Chem. 2018, 61, 583"598

[2] Yihua Chen, et al. RSC Adv., 2019, 9, 16967–16976



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IL: 17. REGIOSELECTIVE CARBON-CARBON AND CARBON-HETEROATOM BOND FORMATION VIA C-H

FUNCTIONALIZATION

Tharmalingam PunniyamurthyDepartment of Chemistry, Indian Institute of Technology Guwahati, Guwahati

781039E-mail: [email protected]

C-H activation is an important process to transform the simple substrates into complexmolecules with structural diversity. However, the selectivity is the major issue in thisfundamental transformation when the substrate has more than one C-H bond withsimilar reactivity. One of the solution to this problem is try to have a functional groupfive or six bonds away from the C-H that is to be functionalized and use the functionalgroup to chelate with metal catalyst and activate the C-H bond through cyclometation.This concept has attracted considerable attention in the past 10-15 years andconsiderable progress has been made. In this talk, I shall present our group recentcontribution on the directed sp2 C-H activation and their application of regioselectivecarbon-carbon and carbon-heteroatom bond formation. The synthetic and mechanisticaspects will be covered.

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References

[1] T. Sarkar, S. Pradhan and T. Punniyamurthy, J. Org. Chem. 2018, 83, 0000.

[2] S. Roy, S. Pradhan and T. Punniyamurthy, Chem. Commun. 2018, 54, 3899.

[3] P. B. De, S. Pradhan, S. Banerjee and T. Punniyamurthy, Chem. Commun.2018, 54, 2494.

[4] D. Mahesh, V. Satheesh, S. V. Kumar and T. Punniyamurthy, Org. Lett.2017, 19, 6554.

[5] S. Pradhan, P. B. De and T. Punniyamurthy, J. Org. Chem. 2017, 82, 4883.

IL: 18. SYNTHESIS OF IMIDAZO[1,2-A]PYRIDINEDERIVATIVES AND PYRIDIN-2-YLUREA USING

FUNCTIONALIZED PYRIDINIUM SALTS

Anil KumaraDepartment of Chemistry, Birla Institute of Technology and Science, Pilani,

Rajasthan, 333031, IndiaE-mail: [email protected]

Pyridinium salts are the classic six-membered aromatic heterocyclic onium compounds,which have extensively been used as non-volatile solvents, catalyst, reagents,surfactants and electrolytes.1 These salts are key synthetic precursor for the assemblyof pharmacologically active indoles,2 piperidines,3 dihydro- and tetrahydropyridine4

containing natural products. Accordingly, many transition metal catalyzed or transitionmetal-free protocols have been developed for the utilization of pyridinium salts assynthetic precursor to produce heterocyclic scaffolds.5 In continuation of our interestto develop synthetic method for heterocyclic compounds, we explored functionalizedpyridinium salts as synthetic precursor for the construction of functionalizedimidazo[1,2-a]pyridine derivatives and heterocyclic urea molecules (Scheme 1).6 Thedetails of synthesis of pyridinium salts, tuning of reaction conditions, experimentalfindings and mechanism of the developed protocols will be discussed in thepresentation.



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Scheme 1: Synthesis of imidazo[1,2-a]pyridines and ureas from pyridinium salts.

References

[1] Bull, J. A.; Mousseau, J. J.; Pelletier, G.; Charette, A. B. Chem. Rev. 2012, 112, 2642.

[2] Bosch, J.; Bennasar, M. L. Synlett 1995, 1995, 587.

[3] Barbe, G.; Charette, A. B. J. Am. Chem. Soc. 2008, 130, 13873.

[4] Kuethe, J. T.; Comins, D. L. J. Org. Chem. 2004, 69, 5219.

[5] (a) Shen, B.; Li, B.; Wang, B. Org. Lett. 2016, 18, 2816; (b) Mousseau, J. J.;Bull, J. A.; Ladd, C. L.; Fortier, A.; Sustac Roman, D.; Charette, A. B. J. Org.Chem. 2011, 76, 8243;

[6] (a) Pandey, K.; Muthyala, M. K.; Choudhary, S.; Kumar, A. RSC Adv. 2015, 5,13797; (b) Pandey, K.; Kaswan, P.; Saroj; Kumar, A. ChemistrySelect 2016, 1,6669; (c) Pandey, K.; Rangan, K.; Kumar, A. J. Org. Chem. 2018, 83, 8026; (d)Saroj; Patel O. P.S.; Rangan; A. Kumar; Tetrahedron Lett. 2019, DOI: 10.1016/j.tetlet.2019.07.030.

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IL: 19. SYNTHESIS AND STABILIZATION OF RADICAL IONSAND THEIR VARIED ELECTROACTIVE STATES

Pritam MukhopadhyaySchool of Physical Sciences, Jawaharlal Nehru University, New Delhi 110067

Email: [email protected] or [email protected]

π-conjugated molecules are intriguing building blocks to realize diverse rangeof closed and open-shell molecular materials.1 One of the challenges facing theirapplications is the intrinsic reactivity of highly electron-deficient and electron-richmolecules in the neutral and radical ion forms. In this context, the naphthalenediimide(NDI) and the perylenediimide (PDI) π-scaffold provides an intriguing platform todesign new electro-active molecules.2

Our recent findings based on the identification of new stabilization elements3a

have allowed us to expand the electrochemical window of electro-active NDIs/PDIs.3b-

d In this talk, we would discuss how the arylenediimide scaffold can be utilized tosynthesize and isolate new generation of ambient stable radical anions as well as thestrongest electron acceptors with calculated LUMO of -5.2 eV (See Figure).4a Theradical anion formation can be carried out applying straightforward electron transfer(ET) reactions and utilizing mild reducing agents. Recently, we could also isolatedoubly zwitterionic, highly electron-rich direduced NDI systems.4b Furthermore, wehave been able to expand the synthesis of radical ions utilizing eco-friendly, sustainablegreen methods.5 Their excited states would be of interest for photo catalysis andother relevant applications.



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References

[1] Morita, Y.; Suzuki, S.; Sato, K.; Takui, T. Nature Chem. 2011, 3, 197.

[2] a) Kumar, S.; Shukla, J.; Kumar, Y.; Mukhopadhyay, P. Org. Chem. Front.,2018, 5, 2254; b) Suraru, S.-L.; Würthner, F. Angew. Chem. Int. Ed. 2014,53,7428.

[3] a) Kumar, S.; Ajayakumar, M. R.; Hundal, G.; Mukhopadhyay, P. J. Am. Chem.Soc. 2014, 136, 12004; b) Kumar, Y.; Kumar, S.; Keshri, S. K.; Shukla, J.; Singh,S. S.; Thakur, T. S.; Denti, M.; Facchetti, A.; Mukhopadhyay, P. Org. Lett. 2016,18, 472; c) Shukla, J.; Ajayakumar, M. R.; Kumar, Y.; Mukhopadhyay, P. Chem.Commun. 2018, 54, 900. d) Shukla, J.; Ajayakumar, M. R.; Mukhopadhyay, P.Org. Lett. 2018, 20, 7864.

[4] a) Kumar, Y.; Kumar, S.; Mandal, K.; Mukhopadhyay, P. Angew. Chem. Int. Ed.2018, 57, 16318; b) Kumar, S.; Shukla, J.; Kumar, Y.; Mandal, K.; Prakash, R.;Ram, P.; Mukhopadhyay, P. Chem. Sci. 2019, 10, 6482.

[5] Kumar, S.; Mukhopadhyay, P. Green. Chem. 2018, 20, 4620.

IL: 20. BIOPHYSICAL INSIGHTS INTO RNA-PROTEININTERACTIONS

Harshad Paithankar and Jeetender Chugh*Department of Chemistry, Indian Institute of Science Education and Research,

Pune-411008, IndiaE-mail: [email protected]

RNA-protein interactions play a pivotal role in complex biological pathways.Structurally, RNA-protein complexes are much less in number when compared toproteins alone or DNA-protein complexes setting haze on the understanding of RNA-recognition mechanisms. We are primarily interested in gaining insights into the RNA-protein interactions using biophysical techniques where we are investigating atomiclevel dynamics at multiple timescales using NMR spectroscopy. Along these lines,

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we have developed and have been working in the lab on several RNA-proteininteracting systems namely: RNA-binding domains of SMAD3, TRBP1 and TRBP2isoforms, ADAR, HuR, and MSI2. In this talk, I will be focussing on the recent resultson double-stranded RNA-binding domains from TRBP and ADAR and correspondinginteractions with RNAs using NMR spectroscopy.

IL: 21. MOLECULARLY IMPRINTED POLYMER BASEDCAPACITIVE SENSORS FOR CHEMICAL CONTAMINANT

ANALYSIS

Sunil BhandBirla Institute of Technology and Science Pilani, KK Birla Goa Campus

Goa 403726

Indiscriminate use of pesticide, herbicide and antibiotic have posed risk to environmentand human health. Molecularly Imprinted polymer (MIP) based capacitive sensorshave emerged as promising synthetic receptors for rapid and sensitive detection. MIPcoated chip sensors were fabricated by electro polymerization on pencil graphite,gold coated silicon and ITO in presence of 2,4-Dichlorophenoxyacetic acid,sulphanilamide, sulphathiazole as template. The sensor was characterised using AFM,SEM, FT-IR etc. Calibrations were obtained for capacitance change againstconcentration of analyte using Electrochemical Impedance Spectroscopy. The sensorscould detect analyte down to 0.1ug/L in less than 10 min meeting FSSAI and EUstandards.

Keywords: imprinted polymers, antibiotic residues, impedance,



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IL: 22. PEROXIDE BASED ANTIMALARIAL SYNTHETICCOMPOUNDS. A SUCCESS STORY

Satish Kumar AwasthiChemical Biology Laboratory, Chemistry Department, Delhi University,

Delhi-110007, IndiaE-mail: [email protected]

Malaria has plagued man since ancient times and now threatens approximately half ofthe world’s population. Over one million people die annually due to malaria, especiallyyoung children and women of resource poor families in Africa. Malaria remains themost cause of mortality and morbidity in the developing world and is caused byPlasmodium falciparum, P. vivax, P.ovale, and P. malaraie. The chemistry is the mostfascinating areas to develop newer drugs for human welfare. Among them, heterocycliccompounds have immense application in the area of biology, in drug discovery,chemical transformations, nanotechnology and material science etc. Sincere effortshave been made in the last two decades to optimize synthetic procedure and producediversified newer molecules for drug discovery. Artemisinin (and its derivates),extracted from Artemisia annua, is now the only drug which cures all forms of malaria,however , recently drug resistance has been found reported, thus to eradicate malariaglobally, still more research is needed.

In this light, we have been actively involved in directed, chemistry-based approachesleading to the development of the synthetic trioxanes and tetraoxanes. These syntheticperoxides retain the endoperoxide bridge that gives artemisinin its potent blood-stageactivity. It is well reported that their activity is a result of the peroxide bond beingreduced by ferrous iron and heme, which are liberated through the digestion ofhemoglobin by the parasite. This reaction produces carbon-centered radicals that causealkylation of heme and parasite proteins, thereby leading to parasite death. Most ofthese synthetic compounds showed nanomolar activity in vitro. Encourage by thesefindings, we have developed a series of hybrid molecules for in vitro and in vivostudies which showed even better antimalarial activity than natural artemisnin andits semi-synthetic analogs. The research work in this direction is under progress.


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References

[1] D. I. Klayman (1985) Qinghaosu (Artemisinin): Science 228, 1049

[2] Satish K Awasthi, Arvind Kumar ; Indian Patent filed 2016.

[5] C. Sharma, K. Sharma, J. K. Yadav, A. Agarwal, S. K. Awasthi, ChemistrySelect, . 2018, 3 (6), 1629-1634.

IL: 23. Exploring the potential of electrospinning technique forfabrication of mechanically robust polyurea nanofibers

Manorama Tripathi, Surekha Parthasarathy, and Prasun Kumar RoyCentre for Fire, Explosive and Environment Safety, DRDO, Delhi 110054, India.

This paper deals with the successful fabrication of non-woven nanofibrous polyureamats through an electrospinning process and evaluation of their mechanical propertiesunder dynamic conditions. Of late, polyurea is finding increasing applications indefence applications, especially for protection against dynamic loads like blast andballistics. Processing polyurea into nanofibers can further improve their properties,especially with respect to mechanical properties and high surface areas, expandingtheir applications in unexplored applications. Till date, electrospinning has not beenexplored to prepare polyurea nanofibers. In the present work, segmented polyureabased on polypropylene oxide polyetheramine and isocyanate was prepared andprocessed into nanofibers. Our main interest was to establish the influence of theelectrospinning parameters on fiber morphology and dimensions. Post-electrospinning,morphological analysis of nanofibers was performed by Scanning Electron Microscopywhich revealed that uniform nanofibers could be obtained when the polymerconcentration > 25%w/v, with the tip to collector distance < 20 cm, while maintaininga potential difference > 20kV. The fibers exhibit a sub-ambient Tg with excellent thermalstability (T5% = 250°C). The mechanical properties of the nanofibers were quantifiedthrough extensive dynamic mechanical studies. Strain sweep results revealed apronounced dependence of the linear viscoelastic region of nanofibers on testtemperature. Frequency sweep tests reveal that the loss factor, which is indicative of



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the energy dissipation ability, decreases with increasing frequency. Based on contactangle measurements, the surface of the nanofibers were found to be water repelling (~97°). We believe that the processing of polyurea into nanofibers by this simpleelectrospinning process can broaden the scope of these materials enormously.


IL: 24. STRUCTURAL ANALYSIS OF NATURAL PRODUCTS:CASE STUDIES OF INTERESTING MOLECULES

Vineet Kumar

Chemistry & Bioprospecting Division, Forest Research Institute, Dehradun-248006E-mail: [email protected]

Nature continues to provide marvelously diverse natural products with meticulousattention to detail. The growing range of structural complexity necessitates knowledgeof their primary structure a critical prerequisite towards better understanding of theirfunctional properties, structural activity and efficient commercial utilization. Recentadvancements in diverse analytical techniques including chromatographic andspectroscopic techniques have led to better understating of diverse natural products.This in turn enabled to tap the potential reservoir of various organic moieties awaitingintensive exploitation for their varied applications in pharmaceuticals, food and feed,textile, oil well drilling etc.

In our quest towards isolation of interesting compounds, a series of natural productsviz. tiliroside [kaempferol-3-O-â-D-(63 -E-p-coumaryl) glucopyranoside], biflavanoidsGB-1, GB-2, flavones-chromone moiety etc. have been isolated from different plantspecies based on comprehensive spectral analyses. The biflavonoids showed rotamericbehavior/atropisomerism by fine spectral assignments at 270C and 900C using ROESY.Thorough NMR analysis of complex flavonol glycosides indicated trans- and cis-isomers of tiliroside in 3.26:1.00 ratio. Further, complete structural characterisationof complex arabinoxylans comprising the backbone of ’!4)-â-D-linked Xylp(1’! withbranching at O-2 by ’!3)-á-L-Araf(1’! and ’!3)-â-D-Xylp(1’! chain; arabinogalactans

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having 1,4-linked 3-O-methyl-â-D-galactopyranose and â-D-galactopyranosebackbone with branching at O-6 of 3-O-methyl-â-D-galactosyl residues by 1,5-linked3-O-methyl-á-L-arabinofuranoside chains. etc. could be achieved by advancedseparation and spectroscopic methods. The case analyses of complex (rathermisassigned) bioactive natural moieties and novel polysaccharides will be discussedin detail.

References

[1] Shanti Devi, Ajeet K Lakhera and Vineet Kumar RSC Advances (2019). 9,24267-24279.

[2] Shanti Devi and Vineet Kumar Arabian J. Chem. (In press). https://doi.org/10.1016/j.arabjc.2018.01.009(2018).

[3] Shipra Nagar, Andreas Hensel, Petra Mischnick and Vineet KumarCarbohydrate Polymers (2018), 193, 326-335.

[4] Pallavi Dubey, Pradeep Sharma and Vineet Kumar International J.Biological Macromolecules 2017,104, 261–273.

[5] Pradeep Kumar and Vineet Kumar Carbohydrate Polymers 2017,165, 205-212.

[6] Pallavi Dubey, Pradeep Sharma and Vineet Kumar (2017). Data in Brief2017. 15, 615–622.

[7] Ajeet K Lakhera and Vineet Kumar International J. BiologicalMacromolecules 2017, 94, 45-50.

[8] Vineet Kumar, Meenakshi Naudiyal and Pallavi Dubey J. Biologically ActiveProducts from Nature 2017, 7(1), 27-33.

[9] Manish Jindal, Vikas Rana, Vineet Kumar, Bharti Sapra, Ashok K. Tiwary(2017). Arabian J. Chem. 10, S2151-S2159.



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IL: 25. Comparative study of organic acid –microbe leaching patterntowards Co and Li extraction in lithium ion batteries (LIBs)

Deepak Pant*Department of Chemistry, Central University of Haryana, Mahendragarh –

123029, IndiaCorresponding author – E-mail: [email protected],

[email protected]

Demand for lithium ion batteries (LIBs) are growing exponentially in the recent yearsdue to the requirement of smart and slim batteries for advance electronic goods andelectricity operated vehicles, and immediately require adequate destination for theresultant waste. In the recent years, organic acid with microbes were utilized for therecovery of Li & Co from spent LIBs. Microbial involvement is a promising technologydue to: (i) reducing the requirement of organic acids; (ii) the presence of differenttypes of functional groups, such as carboxylic, sulfates, phosphates and amino-groups,which are the binding sites for the ion exchange and complexation reactions; and (iii)physico-chemical interactions between metal ions and the functional groups presenton the surface of biosorbent. The sorption properties can be modified by several pre-treatments or modification techniques. Modification of the surface can increase thesurface sorption capacity of biosorbent and improve the acid based leaching by itspartial / stepwise degradation. It improves the concentration of various functionalgroups and hence improves the overall process. The finding showed that: Co showsmore biosorption in hybrid system and was found to be maximum towardsEmpedobacter sp. - Malic Acid combination. Li exhibited the highest leaching in uricacid-microbe system (209.045ppm) followed by malic acid (204.013), ascorbic acid(202.91), ammonium thiocynate (76.948) and oxalic acid (36.237).


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IL: 26. MOOCS AND ARPIT IN CHEMISTRY: GOVERNMENTOF INDIA INITIATIIVES

Dr. Vimal RahCoordinator, National Resource Centre of Chemistry of MHRD

Project Head & Joint Director, Guru Angad Dev Teaching Learning Centre of MHRD,SGTB Khalsa College, University of Delhi, Delhi, India

Indian Higher Education is presently undergoing a big transformation and one of the agentsresponsible for this is Information and Communication technology (ICT). ICT has impactedall facets of education including teaching, learning and assessment. e-Learning , blendedlearning and flipped classrooms have become buzz words. One major technologicalinitiative on higher education front by the MHRD, Govt. of India is the development ofMOOCs uploaded on SWAYAM portal. MOOCs is an acronym for Massive Open OnlineCourses. MOOCs are useful for different types of learners to earn certificates and credits.MOOCs in Chemistry are being developed for all UG and PG level courses and they arechanging the face of chemistry education in the country. Another game-changing digitalinitiative launched by the MHRD in November 2018 is the Online Refresher Programsfor professional development of HE faculty in different disciplines under ARPIT scheme.ARPIT stands for Annual Refresher Program in Teaching and under this scheme manyNational Resource Centres (NRCs) have been created in various disciplines underPMMMNMTT scheme. National Resource Centre of Chemistry is offering ARPIT in aunique and innovative manner to provide life-long professional development of Chemistryteachers through modules like Chem News, Chem Talks, Chem Simplified, Chem SafeLabs, Chem ICT Tools, Chem Pedagogy and Chem Nobel Laureates, etc. Through suchOnline Courses, it is possible to empower all chemistry teachers in one lot. These coursesalso help teachers to earn points and make them eligible for promotion under CareerAdvancement Scheme(CAS) of UGC.



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SIL: 1. INFORMATION SESSION ON FULBRIGHT-NEHRU,FULBRIGHT-KALAM AND OTHER FULBRIGHT

FELLOWSHIP OPPORTUNITIES

S. Lalitha NagesvariProgram Manager, United States-India Educational Foundation, Fulbright

Commission in India, American Consulate Building, 220 Mount Road,Chennai 600 006


The 15 minute presentation will provide an overview on Fulbright-Nehru, Fulbright-Kalam and other Fulbright Fellowship, jointly funded by the Governments of Indiaand the United States through the United States-India Educational Foundation (USIEF),the Fulbright Commission in India. The Fulbright Fellowships provide fully-fundedopportunities for Indian academics, students and professionals to visit the United Statesfor study, research or to teach, and provides opportunities for American citizens tovisit India for similar professional development purposes. The presentation will discussthe various grant categories, disciplines offered, eligibility criteria and requirementsof the fellowships (Website: www.usief.org.in).

SIL: 2. NEAR FIELD EFFECT OF PLASMONIC NANOPARTICLES ON THE PHOTOPHYSICS OF FLUORESCENT

MOLECULES

Hirdyesh MishraPhysics Section MMV, Department of Physics, Banaras Hindu University, Varanasi

221005, India

In recent years, significant efforts have been made to improve the efficiency offluorescence based electronic and optoelectronic devices using a variety of processingstrategies. However, the performance of these devices is not yet up to the bench mark.Near field surface plasmons interactions open an opportunity to improve the efficiencyof these devices by adding plasmonic nano materials. Controlling the photo-luminescence properties of luminescent materials is essential for improving the

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performance of luminescence-based techniques in modern research. Photo-luminescence is isotropic in nature, which makes it difficult to capture more than asmall fraction of the total luminescence. Interestingly, luminescent materials withplasmonic nanostructures-dielectric surfaces convert isotropic luminescence intodirectional emission. This improves luminescence collection efficiency and also opensup new avenues for a wide range of luminescence-based applications1,2. Interaction ofluminescent materials with plasmonic nanostructures or nanoparticle surfaces lead toseveral favourable effects on spectral properties of the luminephore, which were founddramatically, changed near particulate surfaces due to near field surface plasmoninteractions. A huge enhancement in fluorescence intensity along with increase inabsorption, increased photostability, reduced excited state decay times along withangle-dependent directional polarized emission are also frequently observed3-5 thatcan be exploited to improve the capabilities of present photoluminescencemethodologies. In the present presentation, photo-physics of some fluorescentmolecules near the metallic nano-particles surface will be discussed in detail.

References

[1] Mishra H., Geddes C. D., J. Phys. Chem. C 2014, 118, 28791.

[2] Mishra, H., Mali B. L., .Karolin, J. Dragan A. I., Geddes C. D. Phys.Chem. Chem. Phys., 2013, 519538.

[3] Mishra, H., Dragan, A. I.. Geddes C. D J. Phys. Chem. C 2011, 115,17227.

[4] Pandey, R.K., Yadav, S.K. Upadhyay C., Prakash R., Mishra H.,Nanoscale, 2015, 7, 6083.

[5] Yadav S.K., Rawat G, Pokhariya S, Jit S, , Mishra H, ACS Omega2019, 4, 5509"5516



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Foreign Speaker

SIL: 3. POLYPEPTIDE GELS ORIGINATED FROM EXOTICFUNCTIONAL AROMATIC AMINO ACID, 4-AMINO-L-

PHENYLALANINE

Amit Kumar and Tatsuo Kaneko*

Graduate School of Advanced Science and Technology, Energy and EnvironmentArea, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi,

Ishikawa, 923-1292, Japan*Tel: +81-761-51-1631, E-mail: [email protected]

Microbial derivative of phenylalanine i.e., 4-amino-L-phenylalanine (4APhe) wasutilized to prepare precisely high molecular weight polypeptides poly(4-amino-L-phenylalanine) (P4APhe) and its copolypeptides with L-lysine using metal-initiatedpolymerization of the Nalpha-carboxyanhydride (NCAs). P4Phe exhibited in situ gelationability due to formation of beta-sheet domains upon swelling that work as physical cross-linking junction. Copolypeptide of 4APhe and L-lysine formed opaque elastic hydrogelswith degree of swelling that depend on composition. Further, these copolypeptidesshowed pH-dependent gelation and conformation changes. These properties of 4APhecan lead to its usage as a new building block for soft polypeptide materials and platformfor stimuli-responsive bio-related materials.

Keywords: Polypeptide, Amino acid, Phenylalanine, N-carboxyanhydride

SIL: 4. ELECTROSTATIC GUIDELINES FOR DESIGNINGNANOCATALYSTS

K. V. Jovan JoseSchool of Chemistry, University of Hyderabad, Hyderabad-500 046, Telangana, India


Over the years, tremendous efforts have been made to design new catalysts to combatatmospheric pollutants. Though the most established methods have been throughsynthetic routes, density functional theory (DFT) calculations and machine learning

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(ML) methods have gained ground over time. Metal cluster growth based onmaximizing the pentagonal bipyramid units is one of the traditional routes of buildingmeal nanoclusters. However, these techniques tend to be computationally exhaustivewhen building the larger clusters. The incorporation of ML techniques with DFTcalculations have enhanced the fast generation of new structural motifs for catalysts.Based on the binding energies of adsorbates, interatomic potentials and atom-symmetrydescriptors, a range of configurations of the nanocatalysts can be generated. However,the appropriate guideline is still a challenge, as the growth model has limitationswhen trying to build larger clusters. Since, the charge descriptors are an essentialparameter in evaluating the structure of a catalyst, it is expected that the electrostaticinteraction plays a major role in determining the mode of growth of nanoclusters.Building metal clusters based on the electrostatic potential (ESP) of smaller clustersserves as one of the accurate parameters to direct the approach of the incoming reactants.We have a come up with an automated algorithm incorporating the in-situ generationof the ESP using neural networks to design nanoclusters.

SIL: 5. DESIGNING OF METAL FUNCTIONALIZEDSURFACTANT BASED SMART MATERIALS FOR BIOACTIVE,

BIOINSPIRED AND CATALYTIC APPLICATIONS

Gurpreet KaurDepartment of Chemistry, Panjab University, Chandigarh 160014


The term ‘functionalized surfactants’ is used when an amphiphilic moiety possesses aspecialized structural or functional group like carbohydrates, proteins, redox, etc.Introduction of such chemical and biochemical functionalities lead to an innovativegroup of materials for diverse applications. In this respect, metallosurfactants i.e. metalcontaining surfactants, especially transition and lanthanide metals, have led to somefascinating advancements in colloidal science. As every metal displays its characteristicproperties and every metal-based surfactant has a different location for the metals i.e.head group, tail or may as a counter ion, they therefore exhibit different physical andchemical properties.



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Metal ions have a very crucial role in several biochemical/biophysical processes. Metalsshow distinctiveness in redox activity, variable coordination modes, variable reactivityand intracellular availability. Apart from this, they are potential candidates as anticanceragents. The driving force towards the applicability of metal-containing compounds asanticancer drugs has been revolutionized with cisplatin.

Therefore, this work aims for the designing of smart materials that can comprehenddual functionality. These materials will offer advantages of metals which impartsproperties such as acid–base, redox and magnetic and also give amphiphilic characterto the molecule. The incorporation of metals is particularly relevant due to the richchemistry associated with multiple coordination numbers, geometrics and a numberof redox states.

This talk will give an overview of the preparation and designing of metallosurfactantsfor their utility in bioinspired (interactions with biomolecules/dyes) and electrocatalyticapplications (splitting of water/corrosion).

SIL: 6. INTERACTIONAL BEHAVIOR OF SURFACE ACTIVEIONIC LIQUID LAURYL ISOQUINOLINIUM BROMIDE WITH

ANIONIC POLYELECTROLYTES POLY (ACRYLIC ACID SODIUMSALT) AND POLY(4-STYRENESULFONIC ACID-CO-MALEICACID) SODIUM SALT (PSS-CO-MA) IN AQUEOUS SOLUTION

Amalendu Pal*Department of Chemistry, Kurukshetra University, Kurukshetra-136119, India

E-mail: [email protected], Mob.: 9466390043

Ionic surfactants have been found to be associating well with polymers but the nonionicsurfactant show weaker interactions with most of the polymers. The complex formationbetween anionic polyelectrolyte poly (acrylic acid sodium salt) [NaPAA] and surfaceactive ionic liquid (SAIL) lauryl isoquinolinium bromide [C12iQuin][Br] in aqueousmedia has been investigated by surface tension, isothermal titration calorimetry (ITC),conductance and the self-assembled structures have been characterized using dynamiclight scattering (DLS) and turbidity measurements. Then, a detailed assessment of

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interactional behavior between the surface active ionic liquid (SAIL) laurylisoquinolinium bromide ([C12iQuin][Br]) and anionic polyelectrolyte poly(4-styrenesulfonic acid-co-maleic acid) sodium salt [PSS-co-MA] in aqueous media hasbeen studied using different techniques such as surface tension, conductance, dynamiclight scattering (DLS) and turbidity to get insight into interactions among [C12iQuin][Br]and polyelectrolyte in the interfacial region. A range of surface parameters and theseinclude surface excess concentration ( )cmcΓ , surface pressure at the interface ,minimum area occupied by one molecule of SAIL at air-solvent interface ,adsorption efficiency (pC20) and surface tension at critical micelle concentration (cmc)

have been calculated from tensiometric measurements. Further, a series ofthermodynamic parameters i.e. standard enthalpy of micellization , standardfree energy of micellization ( ) and standard entropy of micellization ( ) havebeen evaluated. Four different stages of transitions, corresponding to the progressiveformation of polyelectrolyte-SAIL complex (c1), critical aggregation concentration (cac),critical saturation concentration (cs) and critical micelle concentration (cmc) have beenobserved owing to the strong electrostatic and hydrophobic interactions, and the resultsobtained from various techniques complement each other very well. The size of complexesformed among [C12iQuin][Br] and polyelectrolyte have been characterized using DLSand turbidity measurements.



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SIL: 7. HOW ORGANOTIN(IV) MOIETY INTERACTS WITHQUINOLONE DRUGS? A COMBINED EXPERIMENTAL AND

THEORETICAL EXPLORATION

Sandeep Pokharia,*,1 Rachana Joshi,1 Hirdyesh Mishra,2 Ragini Tilak,3 andNidhi Pandey3

1Organometallics and Molecular Modelling Group, Chemistry Section, MahilaMahavidyalaya, B.H.U., Varanasi-221005, India.

2Physics Section, Mahila Mahavidyalaya, B H.U., Varanasi-221005, India.3Department of Microbiology, Institute of Medical Science, B.H.U.,

Varanasi-221005, India.*Tel: +91-9412420264; E-mail: [email protected]

In-order-to expand the scope of organotin(IV)-drug system [1], and to gain a theoreticalinsight into the coordination behavior of organotin(IV) moieties with quinolones, thepresent study will discuss the synthesis, spectroscopic characterization, electronicstructure calculation and antibacterial activity of new di- and tri-organotin(IV)complexes (n-butyl/phenyl) of sparfloxacin. The coordination geometry around thecentral tin atom and structure of the complexes will be discussed on the basis of IR,multinuclear NMR and mass spectrometric studies. The ground state electronicstructure of the complexes calculated at B3LYP/6-31G(d,p)/Def2-SVP(Sn) level oftheory through density functional theory (DFT) based computational calculations [2],will be discussed in terms of atomic charges, molecular electrostatic potential mapsand frontier molecular orbital analysis. The charge distribution within the complexeswill be explained on the basis of conceptual (global as-well-as local) reactivitydescriptors obtained using the finite difference approximation method [3]. The natureof coordinating bonds within the complexes will be discussed in terms of atoms-in-molecules (AIM) and natural-bond-orbital (NBO) analysis. The results of AIM willbe analyzed in terms of topological analysis of electron density at bond-critical-pointsand those of NBO in terms of the significant donor-acceptor interactions in the second-order perturbation theory analysis. The in vitro antibacterial activity of the complexeswill also be discussed against broad spectrum of bacterial strains.

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Keywords: Antibacterial activity, conceptual reactivity descriptors, NBO, Organotin(IV), Quinolones, QTAIM.

References:

[1] Z. Guo and P. J. Sadler, Angew. Chem. Int. Ed.,1999, 38, 1512.

[2] M. J. Frisch et al., Gaussian 09, Revision B.01, Gaussian, Inc. WallingfordCT (2010).

[3] P. Geerlings, F. De Proft and W. Langenaeker, Chem. Rev., 2003, 103, 1793.

SIL: 8. DEVELOPMENT OF BINARY METALCHALCOGENIDE AND ALLOY NANOPARTICLES AS

PROMISING HETEROGENEOUS CATALYSTS

Kalyanjyoti Deori**Department of Chemistry, Dibrugarh University, Dibrugarh-786004, India

Binary metal chalcogenide and alloy nanoparticles are important class of less exploredmaterials as heterogeneous catalysts in many industrially important organic reactions.Although because of their outstanding and unique optical, electronic and magneticproperties arise from the semiconducting behavior, structural stability, synergistic effectetc., they are mainly used in optics, electronics, magnetism, fuel cell, antibacterialactivity, etc., however only a few first-rate reports have recently suggested the uniquecatalytic behavior of these materials in organic reactions.

In this work the synthesis of binary metal chalcogenide and alloy nanoparticleshas been achieved. Morphologies of as-synthesized nanoparticles were tuned bycontrolling various reaction parameters and further used them as efficient heterogeneouscatalysts for variety of industrially important organic reactions as shown in Figure 1.Here we demonstrated a simple one pot surfactant-assisted colloidal strategy for themorphology controlled synthesis of 3d transition metal based chalcogenide/alloynanoparticles with various interesting shapes. All structural and morphological studieswere carried out using XRD, HRTEM etc. These new structures of chalcogenide and



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alloy nanoparticles have shown excellent catalytic conversion and recyclability formany industrially important organic transformation reactions and therefore could bemost potential candidate for future catalysis research.

Figure 1: Schematic representation of the synthetic procedures to derive surfactantassisted monodispersed binary metal chalcogenide and alloy nanoparticles as efficientheterogeneous catalysts for variety of industrially important organic reactions.

References:

[1] L. Luo, Z. Duan, H. Li, J. Kim, G. Henkelman and R. M. Crooks, J. Am. Chem.Soc., 2017, 139, 5538"5546.

[2] T. Chen and V. O. Rodionov, ACS Catal., 2016, 6, 4025–4033.

[3] M. Kumar, K. Soni, B. Satpati, C. S. Gopinath and S. Deka, Chem. Commun.,2016, 52, 8737–8740.

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SIL: 9. CeO2 NANOPARTICLE AS AN EMERGING CATALASEMIMICKING ACTIVITY

Meera Yadav* and Anandita HazarikaDept of Chemistry, NERIST, Nirjuli, Itanagar-791109 (AP)


The effectiveness of CeO2 nanoparticles as a catalyst is dependent on the surfaceproperties like pore size, surface area and pore volume and the large adhesion energy.Catalase (EC 1.11.1.6) was the first antioxidant enzyme to be discovered andcharacterized. Catalase has one of the highest turnover numbers of all enzymes. Catalaseactivity extracted from carrot juice was found to be 1.04 U/ml. Catalase/CeO2 NPsassay were performed by using H2O2 as the substrate and monitored at ëmax=240nmand found that both decomposed substrate to H2O and O2 with the rate of 0.01 “OD/sec. Both catalase and CeO2 NPs gave an optimum activity at pH 6 and temperaturewas found to be 35°C for catalase and that of CeO2 NPs was 30°C for their catalyticefficiency. Km value of the enzyme and CeO2 NPs for H2O2 was found to be 17.5 mMand 14.96mM using from the double reciprocal plot. From cyclovoltametric studies itis observed that enzymes are an ecofriendly reagent for oxidation of compounds likephenol, pyragallol, methanol,sodium nitrite, actetaldehyde, formaldehyde, acetic acidbut have high oxidation potential compared to CeO2 NPs. Thus CeO2 NPs can beused as reagent for oxidation of toxic compounds efficiently.

Keywords: Metalloenzyme, Redox enzyme; Catalase; CeO2 nanoparticle;Biotransformations



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SIL: 10. SYNTHESIS OF CHEMICAL LIBRARIES OFBIOLOGICALLY POTENTIAL Â-CARBOLINE BASED

MOLECULAR ARCHITECTURES FROM KUMUJIAN C

Virender SinghDepartment of Chemistry, Dr. B R Ambedkar National Institute of Technology,

Jalandhar 144011, IndiaE-mail: [email protected]

-Carboline containing alkaloids are ubiquitously present in nature including plants,marine organisms, insects, mammals including human tissues and body fluids. Thesealkaloids are constitutionally a large group of indole alkaloids with different level ofaromaticity. This class of alkaloids is especially known to intercalate with DNA anddisplay activities against cancer, CNS and infectious disorders. Owing to their immensesignificance, synthesis of a variety of β-carboline derivatives has been a subject ofintense research. Though several elegant strategies have been formulated for thesynthesis of this molecular framework, we have developed a surrogate approach forthe Diversity-oriented synthesis of β-carboline-derivatives. It was envisaged that 1-formyl-9H-β-carboline (an alkaloid (Kumujian C) isolated from Picrasama quassoids)may serve as a potential precursor for obtaining β-carboline substituted and N-fusedderivatives.

In this context, we have engineered an efficient, scalable and economic approach forobtaining 1-formyl-9H-β-carbolines. This precursor has been demonstrated to be auseful template for the synthesis of diversity oriented synthesis of β-carbolinesubstituted isoxazoles, isoxazoline, thiazoles, pyrrole and triazole derivatives. Inanother approach, decarboxylative oxidation and oxidative amination were exploredfor the synthesis of β-carboline-fused imidazole derivatives. Also GBB MCR wasexplored for the DOS of β-carboline C- and C-3 tethered imidazopyridine derivatives.The results of these studies shall be presented and discussed.

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References

[1] a)D. Singh, S. Sharma, M. Kumar, S. K. Pandey, R. Shankar and VirenderSingh.* Org. Biomol. Chem. 2019, 17, 835–844. b) D. Singh, S. K. Tiwari andVirender Singh*. New J. Chem. 2019, 43, 93-102. c) D. Singh, N. Devi, V.Kumar, C. C. Malakar, S. Mehra, S. Rattan, R. K. Rawal and Virender Singh.*Org. Biomol. Chem. 2016, 14, 8154-8166; d) D. Singh, V. Kumar, N. Devi, C.C. Malakar, R. Shankar and Virender Singh.* Adv. Synth. Catal. 2017, 359,1-15; e) Devi, N.; Singh, D.; Kaur, G.; Mor, S.; Malakar, C C.; Singh, V. NewJournal of Chemistry, 2017, 41, 1082-1093; f) Singh, D.; Devi, N.; Kumar, V.;Malakar, C. C.; Mehra, S.; Rawal, R. K.; Kaith, B. S.; Singh, V. RSC Adv.2016, 2016, 6, 88066-88076; g) D. Singh, P. Sharma, R. Kumar, S. K. Pandey,C. C. Malakar, Virender Singh*. Asian J. Org. Chem., 2018, 7, 383-394.

SIL: 11. CATALYST-FREE SYNTHESIS OF THIOETHERS,PHOSPHINOTHIOATES AND PHOSPHOROSELENOATES

Dr. Satpal Singh BadsaraMFOS Laboratory, Department of Chemistry (Centre of Advanced Study),

University of Rajasthan, JLN Marg, Jaipur, Rajasthan, India-302004.E-mail: [email protected], [email protected]

Organic frameworks possessing chalcogenide and phosphorus moieties play animportant role in organic synthesis, pharmaceuticals, materials, medicinal chemistry,and agrochemicals.1 Traditionally, such molecules were synthesized via transitionmetal-catalyzed cross-coupling reactions. In recent years, the synthetic organic chemistsare looking for suitable alternatives of traditional transition-metal catalysts for thesynthesis of these molecules. Herein, we present the catalyst-free synthetic routes forthe C-S and P-Chalcogenide bond formations.2



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References

[1] (a) Lee, C.-F.; Liu, Y-C.; Badsara, S. S., Chem. Asian J., 2014, 9, 706; (b) Liu,H.; Jiang, X., Chem. Asian J. 2013, 8, 2546. (c) Lee, C-F.; Basha, R. S.; Badsara,S. S., Top. Curr. Chem., 2018, 376, 25. (d) McReynolds, M. D.; Dougherty, J.M.; Hanson, P. R. Chem. Rev. 2004, 104, 2239. (e) Redmore, D. Chem. Rev.1971, 71, 315. (f) Quin, L. D. A Guide to Organophosphorus Chemistry; WileyInterscience: New York, 2000.

[2] (a) Badsara, S. S.; Singh, P.; Choudhary, R.; Bai, R.; Sharma, M. C. New. J.Chem. 2019, 43, 11045. (b) Bai, R.; Choudhary, R.; Singh, P.; Thakuria, R.;Sharma, M. C.; Badsara, S. S. ChemistrySelect, 2018, 3, 3221. (c) Choudhary,R.; Singh, P.; Bai, R.; Sharma, M. C.; Badsara, S. S. Org. Biomol. Chem, UnderRevision.

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SIL: 12. ROLE AND IMPORTANCE OF QUALITY ASSURANCEAND ASSESSMENT OF HIGHER EDUCATIONAL

INSTITUTIONS

Vinita SahuNational Assessment and Accreditation Council, P. O. Box No. 1075, Nagarbhavi,

Bangalore -560072, Karnataka, India, Tel No.: +91-80-23005278,Mob: +91-7204456820;


The importance of quality assurance and assessment is highly significant in highereducational institutions. In order to rank and assess the higher educational institutionsthe assessment and quality assurance check both internally and externally is veryimperative from the viewpoint of stakeholders. Across the world quality assurance isdone in the different ways: Self evaluation, Peer review by a panel of experts, Analysisof statistical information by using performance indicators or benchmarks, by conductingsurveys of students, graduates, employers, professional bodies etc. With the increasein the number of public and private universities, colleges and faculties as well as inthe number of students, a systematic monitoring and development of an internal/external quality assurance system is very much important, which can help in identifyingthe challenges faced, issues and performance of the institutions for the benefit and up-liftment of the entire academic community and in-turn to the nation.

Thus, assuring quality should be a continuous and ongoing process. It should not beconsidered as a onetime activity for accreditation alone. Therefore, this paper dealswith the objectives of assessment, importance of Quality Assurance and the proceduresto be adopted to strengthen the quality of higher educational institutions.



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SIL: 13. SURFACE DESIGNING OF NANOMATERIALS FORBIOMEDICAL APPLICATIONS

Dr. Shilpee SacharDepartment of Chemistry, University of Mumbai, Mumbai 400098

Applications of nanotechnology in biomedical field often involve the use ofnanoparticles for probing biological processes and in providing targeted treatment.Hence their introduction in the biological milieu exposes them to macromolecules,including proteins, polysaccharides, nucleic acids and lipids. Despite the remarkableadvances in the field of nanoscience relatively little is known about the interaction ofnanoparticles with living systems and about the possible biological risks associatedwith them. The nature of these nanoparticle-biomacromolecule interactions canprofoundly influence the NPs in-vivo fate and function. It has been found that serumproteins rapidly associate with nanoparticles to form a “protein corona” and thusfacilitates their biodistribution. However, the association depends upon the affinity ofthe proteins towards nanoparticles which in turn is highly affected by the structure ofnanoparticle surface. Surface modifications not only improves the size and stabilityof nanoparticles but also improves their interactions with biomolecules, provideseffective shielding to nanoparticles corrosive body from exposing it to plasma fluidsand cells which in turn reduces apoptosis. For a long-term effective use, the nano-surfaces should retain the modifier in vivo, thus it becomes essential to investigatethe binding phenomenon of coating material and nanoparticles surface. This will alsohelp in designing optimized NPs for different biomedical application. The mainobjective of the talk is to enumerate information on choosing effective coatings fornano-entities of biomedical importance.

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SIL: 14. TRIPEPTIDE STRUCTURAL PROPENSITY BASEDPROTEIN SECONDARY STRUCTURE PREDICTION

Chimi Rekha Gogoi and Anupaul Baruah*Department of Chemistry, Dibrugarh University, Assam, India

*E-mail: [email protected]

Protein secondary structure prediction has been a challenging problem in the field ofbiophysics. Reasonable success has already been achieved in this direction in the lasttwo decades. Many online servers are also available for prediction of protein secondarystructure. However, still protein secondary structure prediction is a relevant problem,because most of the predictors are still not able to predict just from sequence inputand utilizes input from available structural template. An ability to better predictsecondary structure from sequence input only will be of help when no structuraltemplate is available or a de novo sequence is used for prediction. In this work amethod is developed to predict secondary structure from sequence input. A statisticalanalysis of a protein data set is used to train and calculate structural propensity oftripeptide (nearest neighbour and non-near neighbour) sequence segments. Thesestructural propensities are then used to calculate the cumulative impact of neighbouringresidues on the structural preference of an amino acid in a given sequence. The methodgives satisfactory results in 3 state prediction, however, more improvements are neededfor 8 state prediction.

References

[1] Pirovano W., Heringa J., Methods in Molecular Biology, 2010, 609, 327.

[2] Zhong L., Johnson W.C., Proceedings of the National Academy of SciencesUSA, 1992, 89, 4462.

[3] Yaseen A., Li Y., BMC Bioinformatics, 2014, 15, S3.

[4] Sormanni P., Camilloni C., Fariselli P., Vendruscolo M., Journal of MolecularBiology, 2015, 427, 982.



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SIL: 15. PHOTOSWITCHES – FUNDAMENTALS TOFUNCTIONAL MOLECULES

Dr. Sugumar VenkataramaniIndian Institute of Science Education and Research Mohali, Sector 81, SAS Nagar,

Manauli – 140306 Punjab India.E-mail: [email protected]

Azobenzenes are one of the important classes of photoswitches. The light inducedreversible photoswitching in azobenzenes is very useful in various applications suchas optical data storage, logic gates, molecular machines, photochromic materials etc.Typically, irradiation at the ???* or n-?* absorption bands of the trans azobenzenecan convert it into its cis isomer. On the other hand, the reverse isomerization can beinduced either by light or heat. The thermal reverse isomerization step is one of thelimiting factors for the stability of the cis-isomer. In this respect, the azoheteroarenesprovide excellent opportunities to exhibit not only better photoswitching and Z-isomerstability but also coordination and hydrogen bonding prospects.[1] Various factors suchas electronic, steric effects, and the hydrogen bonding play an important role incontrolling the cis-isomer stability. The fascination on the azoheteroarenes providedus developing improved photoswitches with several salient features.[2] In addition tothe fundamental interest, we are also working on the functional molecules that can bemodulated by light. In the first part of the talk, photoswitching, factors controllingphotoisomerization and stability of cis-isomers and also the visible light photoswitchingin azoheteroarenes will be discussed. In the next part, design and synthesis of multipleazoarenes and azoheteroarenes connected systems towards few targeted applicationssuch as solid-state photochromic materials for image writing and erasing,photoswitchable liquid crystals, light controlled catalysis etc. will be presented. [ 3,4]

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References

[1] (a) Sudha Devi, Mayank Saraswat, Surbhi Grewal, Sugumar Venkataramani,J. Org. Chem., 2018, 83, 8, 4307-4322. (b) “Azoheteroarene photoswitches –Synthesis, Photoswitching and Utility” Surbhi Grewal, Debapriya Gupta, AnkitKumar Gaur, Mayank Saraswat, Sugumar Venkataramani book chapter in“Photoisomerization: Causes, Behavior and Effects” Ed.; Diego Sampedro,Nova Publishers, USA, 2019.

[2] (a) Sudha Devi, Ankit Kumar Gaur, Debapriya Gupta, Mayank Saraswat,Sugumar Venkataramani ChemPhotoChem, 2018, 2, 806-810. (b) PraveshKumar, Anjali Srivastava, Chitranjan Sah, Sudha Devi and SugumarVenkataramani, Chem. Eur. J., 2019, Just accepted.

[3] Sudha Devi, Indu Bala, Santosh Prasad Gupta, Pravesh Kumar, SantanuKumar Pal, Sugumar Venkataramani, Org. Biomol. Chem., 2019, 17, 1947-1954.

[4] Unpublished and current work.

SIL: 16. Gas chromatography and mass spectrometry (GC-MS)and infra red (IR) spectrum based method for identificationand assessment of the quality of Indian Sandalwood oil and

other essential oils

Surendra Singh BishtChemistry and Bioprospecting Division, Institute of Wood Science and Technology

(IWST), 18th Cross Malleshwaram, Bengaluru-560003, Karnataka, India

Consumption of essential oils worldwide is tremendous. Essential oils are used in anumber of industries including but not limited to flavor industry, cosmetic industry,animal feed industry and pharmaceutical industry. Essential oil includes but is notlimited to Sandalwood and other essential oil like Patchauli, Ylang-Ylang, andEucalyptus. Indian Sandalwood oil is an essential oil obtained from the heartwood ofSantalum album L tree. Total thirty-eight Sandalwood (SW) oil samples including ten



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samples from heartwood of S. album and twenty-eight trade samples of SW oils wereassessed for refractive index (RI), relative density (RD), á-santalol and â-santalolcontent. RI and RD values were found within the ranges of 1.4554 to 1.5035 and0.943 to 1.472 respectively. The percentage composition of á- and â- santalols inthese samples detected from 0 to 58% and 0 to 34% respectively. The oil samples withá- and â-santalol content from 49 to 58% and 26 to 34% respectively were comparablewith the pure oil as described in Indian Standard (IS329-2004). Only about less thanone fourth of the trade SW oils met with Indian Standard (IS329-2004). The statisticalsignificant difference and prioritization analysis were seen by Duncan’s Multiple RangeTest and Grey Relational Analysis method respectively. The presence of the adulterantsdiethyl phthalate (DEP) and diethylhexyl phthalate (DEHP) in some of the oils wereascertained and quantified by regression curve of standard

Further, a method was developed for rapidly identifying and assessing the quality ofIndian Sandalwood oil and other essential oil by correlation of mid infra red spectrumdata. In one example of the method, FTIR analysis of test sample material is done inthree minutes. MIR spectra plots of absorbance Vs wave number obtained from purereference sample of Sandalwood oil and oil from Sandalwood extracted by hydrodistillation method, steam distillation method, and solvent extraction method has showsmajor characteristic peaks at or near/ ranges 3300-3600 cm-1, ~2872-3060 cm-1, ~1650-1700 cm-1, ~1450 cm-1, ~1375 cm-1, ~1317 cm-1, ~1083 cm-1, ~948 cm-1, ~878 cm-1,~851 cm-1 and other minor peaks. This method has a good research and applicationprospect for government agencies and essential oil based industries as well as individualend user.

Keywords: Adulteration, GCMS, FTIR, Essential oil, Sandalwood oil, Santalum album L.


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January 3-7, 2020,

Bangalore

IV

ABSTRACTS OF

ORAL PRESENTATIONS


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OL: 1. SUSTAINABLE SYNTHESIS OF NANOMATERIAL ANDTHEIR CATALYTIC POTENTIAL FOR ONE POT

MULTICOMPONENT REACTIONS

Gunjan Purohit and Diwan S.Rawat*Department of Chemistry, University of Delhi, Delhi 110007, India

E-mail: [email protected], [email protected]

Nanocatalysis is an emerging area and has attracted the attention of chemist over thepast decade.1 A functionalized material with nano- or submicro-dimension displayssignificant and dramatic catalytic activity in comparison to their bulk counter parts,due to the increased surface area and multiple catalytic centres and in turns fulfils themandate of green chemistry.2,3 Increased by catalytic potential of nanocatalyst in thesynthesis of heterocycles, we recently reported hierarchically porous sphere-like copperoxide (HS-CuO) nanocatalyzed synthesis of benzofuran isomers.4 In another studywe, showed the catalytic potential of carbon spheres supported CuI i.e. CuI@CSP forthe synthesis of biologically important motif(s) indolizines with anomalous selectivity.5

In continuation to these exciting results, we designed a unique copper/palladium basednanomaterial for various organic transformation reactions such as hydrogenations,cycloisomerization reactions etc. provides better and greener results. Many importantheterocycles are synthesized by making use of this methodology e.g. aminoindolizines,quinoxolines, benzofuran, piperidines/pyrrolidines etc. The present methodology hasseveral advantages over the reported methods such as selectivity in product formation,high yields in short reaction time, and follows green principles

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References

[1] Constable, D. J. C.; Curzons, A. D.; Cunningham, V. L, Green Chem., 2002, 4,521.

[2] Anastas, P. T.; Allen, D. T, ACS Sustainable Chem. Eng. 2016, 4, 5820.

[3] Polshettiwar, V.; Varma, R. S, Green Chem., 2010, 12, 743.

[4] Purohit, G., Rajesh, U. C., Rawat, D. S, ACS Sustainable Chem. Eng. 2017, 5,6466.

[5] Rajesh, U. C.; Purohit, G.; Rawat, D. S., ACS Sustainable Chem. Eng. 2015, 3,2397.

107th Indian Science Congress, Bangalore 2020 : Abstracts of Oral Presentations


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OL: 2. FLUORESCENT CARBON QUANTUM DOTS FROMFRUIT EXTRACT FOR BIO-MEDICAL APPLICATIONS

Kundan S. Rawat and Atul Goel*Medicinal and Process Chemistry Division

CSIR-Central Drug Research Institute, Lucknow 226031, IndiaE-mail: [email protected], [email protected]

Fluorescent Carbon quantum dots (CQDs) have attracted considerable attention fortheir potential application in modern non-invasive biomedical imaging. CQDs are onthe verge of becoming a useful tool for diagnosis of various disease conditions likecancer and neurological disorders. We have recently synthesized small moleculefluorescent probe1 for cervical cancer cells for live imaging applications and CQDsfrom beetroot extract for live animal imaging.2 We have synthesized blue emittingCQDs from chiku (Manilkarazapota) pulp using a simple, eco-friendly one-potsynthesis and examined their potential for diagnosis of solid tumor in balb/c mice.The data revealed that our synthesized CQDs are biodistributed in various organs andeliminated through faces. There was no sign of toxicity even after two weeks’ timepost injection.

Keywords: Fluorescent Carbon Quantum Dots, Manilkarazapota, Diagnosis.

References

[1] (a) D. Purohit, C.P. Sharma, A. Raghuvanshi, A. Jain, K.S. Rawat, N.M. Gupta,J. Singh, M. Sachdev, and A. Goel, Chem. Eur. J. 2019, 25, 4660. (b) A. Sharma,A.K. Jha, S. Mishra, A. Jain, B.S. Chauhan, M. Kathuria, K. S. Rawat, N. M.Gupta, R. Tripathi, K. Mitra, M. Sachdev, M.L.B. Bhatt, and A. Goel,Bioconjugate Chem. 2018, 29, 3606.

[2] V. Singh#, K.S. Rawat#, S. Mishra, T. Baghel, S. Fatima, A.A. John, N. Kalleti,D. Singh, A. Nazir, S.K. Rath and A. Goel, J. Mater. Chem. B., 2018, 6, 3366.(#equal contribution).

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OL: 3. DISCOVERY OF NOVEL MULTISTAGEANTIMALARIALS

Brijesh Rathi1,*, Neha Sharma1, Yash Gupta2, Poonam3, Hoseah M. Akala2,Ravi Durvasula2, Prakasha Kempaiah2, Agam P Singh4

1Laboratory For Translational Chemistry and Drug Discovery, Hansraj College,University of Delhi, Delhi-110007, India

2Loyola University Chicago, Stritch School of Medicine, 2160 South First AvenueMaywood IL 60153, United States of America

3Department of Chemistry, Miranda House, University of Delhi,Delhi-110007, India

4Infectious Disease Laboratory, National Institute of Immunology, Aruna Asaf AliMarg, New Delhi 110067, India.


Inevitable resistance of the antimalarial drugs against Plasmodium falciparum (Pf) haseffectively hindered the malaria control. Multistage antimalarials viz. effective againstpathogenic asexual blood stages and sexual stages, following the novel mechanismsof action are the urgent need to broaden the therapeutic scope and to overcome theincreasing resistance to the frontline treatments. As a part of our ongoing interesttowards the development of such high-valued antimalarials, a series of newhydroxyethylamine based piperazine compounds were synthesized, and initiallyscreened against Pf culture that led the hit with inhibitory activity against asexual bloodstage possessing IC50s of ~91 nM (±1.9) in drug-sensitive {3D7} and 80 nM (±1.1) inCQ-resistant {DD2}. Based on the cell cytotoxicity assays in primary and establishedhuman cell lines, the active compounds did not reveal any toxicity up to 30 μM. Importantly,the preliminary screening against freshly collected field isolates of Pf infected bloodindicated the IC50 values of 643.3 nM (±177. 2) with negligible chances for the spontaneousresistance. The hit compound also showed strong activity against sexual stage I and IIgametocytes (IC50, 88 nM) that decreased the proportion of stage III to V gametocytes (upto 59%). Further, a single dose (10 mg/kg) of hit in chloroquine-resistant rodent strain PbNK64 displayed notable reduction in the parasite load. Next, liver stage testing indicated



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the IC50 of ~60 nM and ookinete inhibition with IC50 value of ~140 nM in culture. The invitro experiments suggested the favourable antimalarial pharmacokinetic properties.Largely, the preliminary computational studies in agreement with the experimental resultsled to novel compound with potent multistage antiplasmodial activity.

References

[1] Poonam; Gupta, Y.; Singh, S.; Wu, L.; Rawat, M. and Rathi, B. Med. Res. Rev.2018, 38, 1511-1535.

[2] Singh, S.; Rajendran, V.; He, J.; Singh, A. K.; Achieng, A. O.; Vandana: Pant,A.; Nasamu, A. S.; Pandit, M.; Singh, J.; Quadri, A.; Gupta, N.; Ghosh, P. C.;Singh, B. K.; Latha, N.; Kempaiah, P.; Dunn, B. M.; Pandey, K. C.; Goldberg,D. E.; Singh, A. P.; Rathi, B. ACS Infect. Dis. 2019, 5, 184-198.

[3] Singh, A. K.; Rajendran, V.; Singh, S.; Kumar, P.; Kumar, Y.; Singh, A.; Miller,W.; Potemkin, V. Poonam; Grishina, M.; Gupta, N.; Kempaiah, P.; Durvasula,R., Singh, B.; Dunn, B. M. and Rathi, B. Bioorg. Med. Chem. 2018, 26, 3837-3844.

OL: 4. SYNTHESIS OF BIOACTIVE HETEROCYCLES USINGNANOCATALYTIC FRAMEWORK

K. L. Ameta *Department of Chemistry, School of Liberal Arts and Sciences,

Mody University of Science and Technology, Lakshmangarh-332311,Rajasthan, India


Over the past few decades, heterocyclic compounds have been considered as asignificant synthetic target compounds due to their intense applications as therapeuticagents. Heterocyclic compounds containing nitrogen, sulphur and oxygen with fiveor six-membered rings have occupied diverse pharmacological activities.

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Now a day’s the heterogeneous catalysis, especially nanocatalysis is widely used byorganic chemists in research to give excellent activity, selectivity, consumption oflow energy, and longer lifetime. This is achieved by controlling the size, shape,electronic structure, and spatial distribution, and surface composition, thermal andchemical stability of the individual nanocomponents. Nanocatalysis also opens a newcorridor to synthesize value added heterocycles not only in low cost but also increaseshigh product selectivity that directly influence in industrial research.

OL: 5. BAND GAP ENGINEERING OF ANION DOPED ANDANION-ANION CODOPED SnO2 NANOPARTICLES FOR

HYDROGEN GENERATION

Vinod Kumar,*1Bhawna,1,2 Sanjeev Kumar,1,2 Akanksha Gupta,3

1Department of Chemistry, Kirori Mal College, University of Delhi, Delhi, India;2Department of Chemistry, University of Delhi, Delhi, India; 3Department of

Chemistry, Sri Venkateswara College, University of Delhi, Delhi, India;*E-mail: [email protected], [email protected]

Sunlight and water are considered as the most environment friendly alternativeto satisfy future demands using hydrogen as a fuel. Semiconductor materials are knownto have good potential for hydrogen generation through water splitting reactions andare simultaneously used for photodegradation of toxic organic pollutants fromwastewater utilizing abundant solar light [1-3]. The effective utilization of solar lightis one of the most important challenges for achieving the desired efficiency in practicalapplications.

Here, we explored anion doped and anion-anion coped SnO2 as a potentialphotocatalyst for photocatalytic water splitting under the UV light with the help of co-catalyst, EDTA, and methanol. The formed nanoparticles were synthesised by wetchemical method at lower temperature. Various characterization techniques such asPXRD, TEM, FE-SEM, XPS, FTIR, etc. were used for the detailed study ofnanoparticles. It also successfully degraded various toxic dyes in the presence of UVirradiation.



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References

[1] A. Fujishima and K. Honda, Nature 1972, 238, 37-38.

[2] A. Kudo and Y. Miseki, Chemical Society Reviews, 2009, 38(1), 253-278.

OL: 6. THIN LAYER CHROMATOGRAPHYIC ANDSPECTROGRAPHIC ANALYSIS OF SEALING WAX

Kavita Sharma and Poonam YadavProfessor & Coordinator, Shri Vaishnav Institute of Forensic science Shri Vaishnav

Vidyapeeth Viswavidhyala, Indore, (M.P.)Assistant Professor, Shri Vaishnav Institute of Forensic science, Shri Vaishnav

Vidyapeeth Viswavidhyala, Indore, (M.P.)

The practice of sealing wax is a common practice in the official routine work ofcourts, Government offices, police stations, railways and other law enforcementagencies. In a case where tempering is a suspected or observed on the related objectsthen such articles are generally referred to the forensic science laboratory, for thecomparison and identification of sealing wax to confirm the tempering. Conventionallyphysical, chemical and chromatographic examinations are carried out on such articles.In the present study five samples of sealing wax from different sources were examinedand compared using Thin layer Chromatography, using a suitable and new solventsystem and Infra red spectrographic analysis. Differences in their fluorescence werealso observed under UV light for the fluorescence comparison of the specimen andsuspected seal samples. Results so obtained were encouraging and thus can be usefulfor routine forensic analysis.

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OL: 7. GLYCEROL PROMOTED SYNTHESIS OF NITROGENCONTAINING HETEROCYCLIC COMPOUNDS

Yogesh Kumar Pandey, Ramendra Kumar Singh* and Jagdamba Singh*

aDepartment of Chemistry, University of Allahabad, Allahabad, U.P.- 211002E-mail: [email protected]

A glycerol promoted, one-pot-multicomponent synthesis for pyrroloacridine by theuse of 1,3-diketone, aniline and isatin has been reported. Glycerol shows someexceptional physical and chemical properties such as polarity, high boiling point, easyavailability, low toxicity and being capable to form strong hydrogen bonds to dissolveorganic as well as inorganic compounds. With regards of these properties it has recentlyemerged as a green solvent in organic synthesis. Use of Green reaction condition,experimental feasibility, incorporation of glycerol as solvent cum catalyst, formationof C-N bond, varied substrate scope and high yields of the product, are somecharacteristics of the present protocol.

Keywords: Glycerol, Green synthesis, nitrogen heterocycles.

OL: 8. TRIPLE BOND DIRECTED Csp2-N BOND FORMATIONTHROUGH N-FLUOROBENZENESULFONIMIDE AS

AMINATING SOURCE:ONE-STEP TRANSFORMATION OFALDEHYDE INTO AMINE

Sushmita and Akhilesh K. Verma*Department of Chemistry, University of Delhi, Delhi 110007, India




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A metal-free versatile base-directed approach for the decarbonylative C-Hamination of ortho-alkynyl quinoline/pyridine aldehyde using N-Fluorobenzenesulfonimide as nitrogen source under mild reaction condition has beendescribed. The designed reaction strategy was triggered by trapping of fluorine throughN-heterocycle followed by chemoselective attack of sulfonamide group on carbonylcarbon with concomitant conversion to amine via Curtius type rearrangement. Thesynthesized aminated compounds were successfully transformed into biologicallyimportant pyrroloquinolines/pyridines. Further the formation of aminated product wassupported by X-ray crystallographic studies.

References

[1] (a) Straight, A. F.; Cheung, A.; Limouze, J.; Chen, I.; Westwood, N. J.; SellersJ. R.; Mitchison, T. J. Science, 2003, 299, 1743. (b) Allingham, J. S.; Smith, R.;Rayment, I. Nat. Struct. Mol. Biol., 2005, 12, 378. (c) Lee, D.; Li, Z.; French, K.J.; Zhuang, Y.; Xia, Z.; Smith, C. D. J. Med. Chem., 2004, 47, 1413. (d) Harvey,A. L. Drug Discovery Today 2008, 13, 894.(e) Newman, D. J.; Cragg, G. M. J.Nat. Prod. 2012, 75, 311.

[2] (a) Kumar, P.; Aggarwal, T.; Verma, A. K. J. Org. Chem., 2017, 82, 6388. (b)Aggarwal, T.; Kumar, S.; Dhaked, D. K.; Tiwari, R. K., Bharatam; P. V.; Verma,A. K. J. Org. Chem. 2012, 77, 8562. (c) Verma, A. K.; Aggarwal, T., Rustagi,V.; Larock R. C. Chem. Commun., 2010, 46, 4064. (d) Verma, A. K.; Rustagi,V.; Aggarwal T.; Singh, A. P. J. Org. Chem., 2010, 75 , 7691.

[3] (a) Wang, S.; Ni, Z.; Huang, X.; Wang, J.; Pan, Y. Org. Lett. 2014, 16, 5648.(b) Weng, S.-S.; Zhang, J.-W. Chem. Cat. Chem. 2016, 8, 3720. (c) Haines, B.E.; Kawakami, T.; Kuwata, K.; Murakami, K.; Itami, K.; Musaev, D. G. Chem.Sci., 2017, 8, 988.


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January 3-7, 2020,

Bangalore

V

ABSTRACTS OF

POSTER PRESENTATIONS


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PP: 1. SAPTAPARNA [AlstoniaScholaris (L.) R. Br.]: AREINVESTIGATION

Manosi Das1, Avijit Banerji*1, Julie Banerji2, Ravindra Singh3 and Jayram Hazra1

1 Central Ayurveda Research Institute for Drug Development, Kolkata – 7000912 Retired Professor of Chemistry, University College of Science,

University of Calcutta,Kolkata -700009

3 Central Council for Research in Ayurvedic Sciences, Ministry of Ayush,New Delhi – 110058


SaptaparGa [Alstoniascholaris (L.) R. Br.] is a well-reputed medicinal plant in differentAsian traditional systems of medicine. It is extensively used in monoherbal andpolyherbal formulations in Ayurveda, the Indian school of traditional medicine. Wehave initiated a thorough reinvestigation of different parts of this plant - roots, leaves,hard wood and bark of branches - to further supplement the information on variousaspects, as well as to isolate the chemical constituents. Drug standardisation studiesof different parts of the plant have been achieved by phyto-pharmacognostical studiesand HPTLC finger-printing profiling with densitometric studies and use of markercompounds. These had not been reported earlier. During the winter months (Novemberto January) gall formation is observed on the leaves. Comparative phyto-pharmacognostical evaluation and HPTLC finger-printing profile of the methanolicextract of the leaves and gall-affected leaves have been performed. Extraction, isolationand characterisation of a number of indole alkaloids and triterpenoids have been carriedout. Isolation procedures utilised ion-exchange resins to separate the basic alkaloidsfrom the non-basic components. The isolated Natural Products include the alkaloidsø-akuammigine, echitamine, echitamidine, picrinine and rhazine; â-sitosterol and thetriterpenoids á-amyrin acetate, lupeol and ursolic acid. These were characterised byspectroscopic studies – IR, NMR and MS. These compounds have been used as markercompounds in HPTLC analyses.

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PP: 2. VALIDATION OF INDIGENOUS PLANT-BASED DRUGSBY PHYTO-PHARMACOGNOSTICAL AND HPTLC STUDIES

Manosi Das1, Avijit Banerji*1, Ravindra Singh2 and Jayram Hazra1

1 Central Ayurveda Research Institute for Drug Development,4-CN Block, Sector V, Bidhannagar, Kolkata – 700091

2 Central Council for Research in Ayurvedic Sciences, Ministry of Ayush,New Delhi – 110058


In the last few decades, growth and popularity of medicinal plant products have globallytaken a significant share of health care. Hence, the importance of quality control andstandardisation of botanical products for global acceptability of these drugs. Herbalmedicinal products are complex mixtures, hence great efforts are necessary to guaranteeconstant and adequate quality. We have carried out detailed work for standardisationof drugs derived from selected medicinal plants, well-reputed in the Indian traditionalsystem of Ayurveda. The work involved phyto-pharmacognostical and detailed HPTLCstudies. Results of our investigations of four Piper species viz. Piper longum, Pipernigrum, Piper chaba and Pipercubeba, Aswagangdha(Withaniasomnifera), andAjawain (Trachyspermumammi) are presented. Marker compounds, viz. piperine,piperlongumine, piperlonguminine, withanolide and thymol were isolated fromsome of the species, and identified by spectroscopic studies. These were thenutilised as marker compounds in HPTLC fingerprinting analyses, densitometricstudies and quantitation. These results provide referential parameters for identificationof these drugs.

107th Indian Science Congress, Bangalore 2020 : Abstracts of Poster Presentations


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PP: 3. ORGANOCATALYZED SYNTHESIS OF O/NHETEROCYCLIC COMPOUNDS

Usha Kumari Verma, Dolma Tsering and Kamal K. Kapoor*Department of Chemistry, University of Jammu, Jammu-180006, J&K

E-mail: [email protected],[email protected]

Organocatalysts are the small organic molecules used to catalyse a chemical reaction.Oxygen and nitrogen containing heterocycles have received intense attention due totheir presence in pharmaceuticals and various natural products. Realizing the need todevelop synthetic strategies for the preparation of these heterocyclic compounds fromeasily accessible materials, we employed ã- aminosulfonic acid to achieve this goaland the results will be presented.

PP: 4. EFFECT OF AQUO-ACETONITRILE SOLVENTSYSTEMS ON THE CATALYSED HYDROLYSIS OF A

DIABASIC ACID

Renu KumariAssistant Science Teacher, Shri Durga +2 High School Sheosagar


The solvent effect of aquo-Acetonitrile solvent systems on a diabasicacid ester washighlighted by studying the alkali catalysed hydrolysis of diethyl malonoate in thisreaction media having different composition of acetonitrile varying from 20 to 60%(v/v)The changes observed in its iso-composition and iso-dielectricactivation energies(EC and ED) have been explained in the light of solvation and desolvation of theinitial and transition states to different extent. From the evaluated values of iso-kinetictemperature which comes to be 331, it is inferred that there is appreciably strongsolvent-solute interaction in aquo-acetonitrile reaction media.

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PP: 5. TRIVALENT TRANSITION METAL ION BASEDMACROCYCLIC COMPLEXES DERIVED FROM

DIAMINOTOLUENE AND DIBENZOYLMETHANE

D. P. Singh and Vikas SangwanDepartment of Chemistry, National Institute of Technology,

Kurukshetra-136119, IndiaE-mail: [email protected]

In the current research work diaminotoluene based tetra-azamacrocyclic-14 membered[N4] macrocylic complexes of nitrato, chlorido and acetato trivalent transition metalssalts of Cr(III) and Fe(III) have been synthesized by taking the route of templatemethodology. The synthesized complexes were fully characterized by spectroscopicand physico-analytical techniques like IR, ESI-MS, ESR, Powder XRD, TGA, Uv-visible, magnetic moment, molar conductance, in addition to the elemental analysismeasurements. The monomeric and electrolytic nature of the complexes is elucidatedby the help of ESI-MS and molar conductance values that revels about the 1:2electrolytic behaviour. On the basis of above analytical techniques the complexesmay be empirically formulated as [MLX]X2in which L is macrocyclic ligand obtainedfrom the [2+2] cycloaddition of 3,4-diaminotoluene (DAT) and dibenzoylmethane(DBM).The thermal data provides an indication towards the absence of water molecularand various decomposition steps in the complexes. Further the compounds werescreened for their antimicrobial potency against few strains of bacteria and fungusand fair results were found from the above studies. In addition to these DNA bindingactivity was also performed in order to elucidate the mode of binding the newlysynthesised complexes.



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PP: 6. STRUCTURAL INVESTIGATIONS AND ANTIOXIDANTSTUDIES OF NEW LAWSONE SCHIFF’S BASES AND THEIR

METAL COMPLEXES

Khursheed Ahmed*, Priti Singh Shuveksh, Vani Bajoria, Jitendra HegadeM.C.E. Society’s Abeda Inamdar Senior College, Azam Campus, Pune-411001


Five metal complexes M-1 to M-5 using Fe (II) perchlorate and following lawsoneSchiff bases L1 to L5 respectively are synthesized under normal conditions.

L1 :(E)-4-((pyridin-2-yl) methylimino)-3,4-dihydro-2-hydroxynaphthalen-1(2H)-one,

L2: (E)-4-((pyridin-3-yl) methylimino)-3,4-dihydro-2-hydroxynaphthalen-1(2H)-one,

L3 : (E)-4-((pyridin-4-yl) methylimino)-3, 4-dihydro-2-hydroxynaphthalen-1(2H)-one,

L4: 4 -Chloro -N-(2-hydroxy-1-oxonaphthalen-4(1H)-ylidene)benzohydrazide

L5: 4-hydroxy -N-(2-hydroxy-1- oxonaphthalen-4(1H)-ylidene) benzohydrazide

The electronic structures of complexes were confirmed from elemental analysis (CHNanalsis), thermogarvimetric analysis (TGA), IR spectroscopy, UV spectroscopy andCyclic Voltammetric (CV) studies. The antioxidant properties were determined interms of radical scavenging activities using 1, 1-Dipheny l, 2 – picryl hydrazil (DPPH)free radical. Upon comparing IC50 values, M-3 was found to be most potent.

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PP: 7. POTENT HIV-1 REVERSE TRANSCRIPTASE ACTIVITYPUNICALAGIN, A NOVEL TANNIN COMPONENT ISOLATED

FROM TERMINALIA CHEBULA RITZ

Estari Mamidala1 and Swapna Gurrapu2

1,2 Infectious Diseases Research Lab, Department of Zoology, Kakatiya University,Warangal-506009, Telangana State.


Reverse transcriptase (RT) is a viral enzyme and one of the main targets for drugsagainst human immunodeficiency virus (HIV). The aim of this study was to evaluatepunicalagin, a novel tannin component isolated from Terminalia chebula Ritz againstHIV-1 Reverse Transcriptase.The crude extracts were prepared from dried seeds ofTerminalia chebula in methanol by maceration method and isolated a novel tannincomponent by using column chromatography and HPLC. In vitro HIV-1 RT inhibitionactivity was determined by HIV-1 RT capture elisa test. Isolated compound wasidentified as tannin, punicalagin, a novel compound. The anti-HIV activity was testedwith PBMC and punicalagin showed HIV reverse transcriptase inhibitory activity andit was more effective than standard drug AZT. In PBMC cells, at 100 μM, punicalagininhibited >91% of HIV-1 RT with IC50 88.32 μM. The positive control (AZT) inhibited>87% of HIV-1 RT.

PP: 8. KINETIC ESTIMATION OF D-GLUCOSE BYELECTRON TRANSFER INDICATOR REACTION WITH

MN(III) PYROPHOSPHATE

Anand G. Fadnis

Department of Chemistry, Government (autonomous) Holkar Science College,Indore-42002, (Madhya Pradesh) IndiaE-mail: [email protected]

The Mn(III) in the form of pyrophosphate has been used in the present electron transferindicator reaction with D-glucose for their kinetic estimations using following indicatorreaction.



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CHO(CHOH)4 CH2OH + 2Mn(III) + H2O ’! CHO(CHOH)3CH2OH +HCOOH +2Mn(II) + 2H+

The rate data of present indicator reactions in the form of decreasing absorbance at514nm (ë max) of Mn(III) pyrophosphate complex) with time given for this indicatorreaction have been used for the estimation of D-glucose in simulated samples adopting(a) rate constant, (b) variation of absorbance at fixed time (c) variation of time atfixed absorbance of (d) one point and (e) two point methods using respective calibrationplots. The consistency and reproducibility of these results have clearly showed thatthis kinetic estimation of can be used as an alternative/additional analytical methodto the existing traditional estimation methods in the present day laboratory conditionsand also as advance laboratory experiments.

PP: 9. BIS(ISATYNYL) THIOCARBOHYDRAZONECOMPLEXES OF OXOVANADIUM (IV) AND

OXOMOLYBDENUM (V) AS ANTIFUNGAL AGENT

Irshad Ali,1 Surendra Kumar Singh2 and Faisal Farooq3

1Department Of Chemistry, B.N. College,PatnaUniversity,Patna2Department Of Chemistry, B.D. College,Patna

3Department Of Chemistry, V.K.S. University,Ara,BiharE-mail: [email protected]

Bis(isatinyl)thiocarbohydrazone has strong complexing property acting as multipledonor sites and forms strong stable complexes with most of the transition metal ions.Oxovanadium (IV) and Oxomolybdenum (V) forms insoluble products withbis(isatinyl)thiocarbohydrazone (HBisttch) of composition VO(HBisttch)SO4,MoO(HBistth)Cl3, VO(Bisttch)2.2H2O, Mo2O4(Bisttch)2.2H2O and Mo(HBisttch)Br3.

These complexes are almost insoluble in aqueous medium but dissolve appreciably inorganic solvents. Mo2O4(Bisttch)2.2H2O is diamagnetic and other MoO3+ and VO2+

complexes are paramagnetic and show magnetic moment value in the range (1.70 –1.78 BM) for one unpaired spin supporting oxidation state +IV for VO2+ and +5 forMoO3+. The anti-fungal screening with five fungi were performed by radial growthtechnique. It was found that the ligand and its complexes show strong antifungal

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properties in alcoholic DMF solution. The infrared and electronic absorption spectrumof complexes have been recorded and spectral bands of complexes have been assigned.

PP: 10. CALCULATING TENSOR PROPERTIES OF NON-BONDED AND COMBINED MOLECULAR SYSTEMS

Sankarampadi AravamudhanDepartment of Chemistry, North Eastern Hill University

5t molecule arises due to variations in the electron circulations in the molecule, itturns out to be a Tensor Property, which has reference to molecular point groupsymmetry. Retrieving the output of shielding tensors from QM calculations oncombined molecular systems requires an attention to both point group symmetries ofthe two molecules are reported in a common coordinate axes system which is theconcern in this report. Illustration is with combination of benzene and hydrogen.

PP: 11. EXTRACTION OF CO(II) AND CU(II) FROM WASTEMATERIALS USING A SEMICARBAZONE OF 4-NITROBENZALDEHYDE AS AN EXTRACTANT

Jaspal Singh1*, Payal Devi 1 and Manish Chauhan1

1Department of Chemistry, Gurukula Kangri Vishwavidyalaya,Haridwar, Uttrakhand, IndiaE-mail : [email protected]

The studies on extraction of Co(II) and Cu(II) from aqueous solutions of waste materialinto organic phase using 4-nitrobenzaldehydesemicarbazone was found to be sufficient.However, it was observed that the extraction increases when the pH of the solutionwas increased and extraction was found to be higher for Cu(II) as compared to Co (II).It was found that % of extraction increase with increase in pH of the aqueous phase.This supports the following type of extraction mechanism.

(Mn+)aq + m (HL) org = [MLn (m-n)HL]org + n(H+)aq.



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The extraction decrease with increase the concentration of metal ion. The sandellsensitivity 0.6079 to1.252 μg/cm-2. The sandell sensitivity is 0.0049 ìg cm-2 and themetal /ligand ratio is 1:3. The determination has also been carried out in the presenceof foreign ions.

PP: 12. MICROWAVE-ASSISTED SYNTHESIS OF SUBSTITUTED2-(2H-CHROMEN-3-YL)-5-PHENYL-1H-IMIDAZOLE BASED 1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE DERIVATIVES AND

THEIR ANTIMICROBIAL ACTIVITY

D. Ashok*1, K. Ramakrishna*1 and M. Sarasija2

1Green and Medicinal Chemistry Laboratory, Department of Chemistry, OsmaniaUniversity, Hyderabad, 500007, Telangana, India;

2Department of Chemistry, Satavahana University, Karimnagar, 505001,Telangana, India.

A method for the synthesis of several imidazoles containing isoquinoline scaffoldsunder conventional and microwave irradiation methods, in the microwave irradiationsgive higher yield as compared to conventional heating with in shorter reaction time,using green solvents, eco-friendly reaction conditions. All the newly synthesizedcompounds were characterized by IR, NMR and Mass spectral analysis. Furthermore,the title compounds were screened in-vitro antimicrobial activity against bacteria suchas Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Klebsiellapneumoniaas well as fungi such as Aspergillus Niger,Aspergillus flavus and Fusariumoxysporum. The compounds 8a, 8d, 8e, and 8h exhibited better antimicrobial activityagainst all organisms.

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PP: 13. SYNTHESIS, CHARACTERIZATION, BIOLOGICALACTIVITIES OF NOVEL SCHIFF BASE BENZIMIDAZOLE

LIGAND AND THEIR CO(II), CU(II) AND ZN(II) METALCOMPLEXES

Krishnamurthy Ga*, Nagaraja Naikb, Prabhaker Walmika and P.Parameshwara Naika

aDepartment of Chemistry, Sahyadri Science College, Kuvempu University,Shivamogga, Karnataka, India

bDepartment of Chemistry, University of Mysore, Mysore, Karnataka, India. E-mail: [email protected]

The benzimidazole ring containing biologicaly active novel schiff base {2-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1H-benzimidazol-5-yl} (phenyl) methanone(HBPM) was synthesized in good yield and used as ligand to prepare the Co(II), Cu(II)and Zn(II) complexes. The structure of the ligand and their metal complexes werecharacterized by IR, Uv-visible, 1H-NMR and 13C-NMR techniques. The moleculardocking studies were performed on lung cancer protein molecules Epidermal GrowthFactor Receptor using Autodock vina software. The obtained experimental results ofthe metal complexes suggest the possible applications of metal complex which, couldbe developed as a potent drug in the near future. On considering biological aspects ofthe present work, the in vitrocytotoxicactivity has been performed against the ligandand its metal complexes. The obtained results showed that, the metal complexes aremore potent bio-active as compared with uncoordinated ligand.

PP: 14. EVALUATION OF ACYL AND SULFONOYLDERIVATIVES OF CORIDRAIMDE B ISOMERS AS POTENT

ANTICANCER AGENTS

Dr. Kumar, M. N*Department of Chemistry, Yuvaraj’s College, University of Mysore

The various types of mature cells in the body have a specific life span. After the deathof these cells, new cells are generated by proliferation and differentiation into different



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types of cells.1 Sometimes cells begin to divide in an uncontrolled manner and they nolonger respond to the growth regulatory mechanisms. These cells divide and form aclump of cells producing a tumour or neoplasm thereby cause cancer diseases. Canceris the one of the most carcinogenic diseases affecting mankind all over the world.Although numerous chemotherapeutic agents are available to treat the cancer diseases,most of them kills the normal cells and cause several side effects such as immunesuppression.2Numerous compounds with improved selective biological activity havebeen investigated, however many of them are not suitable for therapeutic use due totheir toxic, carcinogenic and mutagenic properties. In recent days modifications ofactive chemical structures in order to improve therapeutic activity and selectivity isattracting the chemist in medicinal field. The Glutraimide alkaloid compounds playmajor role of medicinal chemistry.3 They draw the attention of organic chemist, becauseof diverse of their derivatives to design and synthesize, diverse as modify Glutraimidealkaloids are naturally occurring class of compounds processing important bioactivities.Synthesis and evaluation of anticancer activities of new molecular entities incorporatingglutarimide structures is of high importance. In the present study, the anticanceractivities of Glutarmide derivative were reported.

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PP: 15. IRON DOPED A-GNR BASED ELECTROCHEMICALSENSOR FOR DETECTION OF TOXIC AS(III) IONS IN

WATER

Lovleen Kaur and Sangeeta Sainia

Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana,India – 136119

aCorresponding author E-mail: [email protected]

Arsenic contamination of ground water is severe problem world-wide. Among severaltechniques used to resolve arsenic crisis, adsorption is one of the cheapest and mosteffective method. Monitoring the quality of water is of utmost importance and hencedeveloping suitable sensors becomes crucial. The detection mechanism can either beoptical or electrochemical. In the present study, we reported the sensing properties ofpure and iron doped arm chair graphene nanoribbons (aGNR) for arsenous acid whichis main arsenic pollutant present in water.

PP: 16. STUDY OF INTERACTION BETWEEN SILVERNANOPARTICLE AND IMIDAZOLIUM IONIC LIQUID USING

DFT CALCULATIONS

Madhulata ShuklaDepartment of Chemistry,G.B. College, Ramgarh, Kaimur

Veer Kunwar Singh University,Bihar, IndiaE-mail: [email protected]

The mechanism of stabilization of silver nanoparticles (AgNPs) by 1-butyl-3-methylimidazolium tetraûuoroborate ionic liquid (IL) is elucidated from experimentalspectroscopic investigations and density functional theory (DFT) calculations. FTIRspectrum of the synthesized IL stabilized silver nanoparticles reveals small red shift inB-F stretching frequency while C-H stretching remains unshifted. There is no shift inNMR peaks of IL before and after the synthesis of IL stabilized Ag NPs. This suggeststhat Ag NPs are surrounded by anions of ILs. The optimized structure obtained fromdensity functional theory (DFT) calculations also shows the anionic part of the IL



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surrounding the Ag nanocluster. This is supported by the IR frequency data calculatedusing DFT. The calculated interaction energy obtained between cluster and IL isconsiderably attractive. Density of State (DOS) calculation shows that the HOMO-LUMOgap of the Ag cluster-IL composite is significantly lesser than that of the IL alone.

Figure: (i) Electron diffraction pattern of synthesized Ag NPs (ii) NBO chargedistribution on Ag13-2bmmBF4 (Red colour represents the most electronegativeelement and green colour represents the electron deficient atom) indicating that BF4ions are much closer to the Ag 13 cluster.

PP: 17. SYNTHESIS OF SPIROPYRANONE 3-ARYL-4-METHYLCOUMARIN DERIVATIVES USING CARBONYL

DIIMIDAZOLE

M. Sarasija1, E. V. L. Madhuri2 and D. Ashok2

1Department of Chemistry, Satavahana University, Karimnagar, Telangana, India-5050012Green and medicinal Chemistry Laboratory, Department of Chemistry,

Osmania University, Hyderabad-500007E-mail: [email protected], [email protected],

[email protected]

2H-chromen-2-one i.e., coumarins and their various derivatives are widely known inmany natural products and are effective pharmacophores. Their application in differentfields such as enzyme inhibition effect, antioxidant, monoamine oxidase A inhibitor

(i) (ii)

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activities, proapoptotic activity, platelet-aggregation inhibition etc., are known inliterature. Coumarins also have application as optical brightening agents and they areused as additives in cosmetic synthesis and food industry. Newspiropyranonecoumarinderivatives were synthesized from diacetyl resorcinol. Thesyntheses of spiropyranone coumarins was performed using different solvents, reagentsand bases in both conventional and microwave methods. The reaction proceeded wellfurnishing improved yields in shorter time by microwave irradiation technique. Thetarget compounds were characterised by spectral analysis and screened for theiranticancer activity.

PP: 18. DESIGN AND SYNTHESIS OF TRIAZOLECONTAINING COMPOUNDS AND THEIR INTERACTION

WITH SERUM ALBUMINS

Anjoy MajhiPresidency University, Kolkata, West Bengal

Quinoline, coumarin and triazole containing compounds shows enormous biologicalactivities such as antiviral, antibacterial, antifungal, anti-inflammatory, anticanceractivities etc. Novel triazole based quinoline and coumarin compounds were designedand synthesized using CuAAC reaction (Click reaction). The binding interaction ofthe synthesized compounds with serum albumins has been explored using differentphotophysical studies. To determine the feasible binding sites and change in themicroenvironment of the binding sites of the tryptophan/tyrosine of the serum albuminsexploiting Trp/Tyr emission in proteins has been explored in the present work.



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PP: 19. STUDIES ON STABILITY CONSTANT OF TERNARYINTERMEDIATE COMPLEX FORMATION DURING MNII

CATALYSED P-TOLUIDINE REDUCTION OF PERIODATE BYSTOPPED FLOW TECHNIQUE

Malvika Chawla, R. D. Kaushik, Sushma and Karuna SainiDepartment of Chemistry, Gurukul Kangri Vishwavidyalaya, Haridwar

(Uttarakhand) IndiaE-mail: [email protected]

Most of the anilines have ternary complex reactionsby periodate oxidation, which iscatalysed by MnII, have not been thoroughly subjected to investigations particularlyfrom point of view of evaluation of stability constant of the ternary complex formedandcollecting the supporting evidences. In this paper, p-toluidine (PT) catalysed by MnII

reduction of periodate has been explored and its stability constant has been evaluated.During formation of ternary intermediate unstable complex PT- MnII – I the stabilityconstant value of (3.21 ± 2.02) ×107 has been found to be in good agreement with theone calculated from rate equation derived by us on the basis of kinetic studies madeby using stopped flow method.The differentiated rate of reaction of ternary complexis given by the Eqn., d[C2]/dt =kobs([C2]eq -[C2]), where, kobs = kfK1 [PT][I]+ kr and kf/ kr

= K2 are equilibrium constant for the reaction of PT - MnII and IO4- , K1is equilibrium

constant for formation of binary complex PT-MnII, [C2] is concentration of ternarycomplex at given time t, and [C2]eq is the equilibrium concentration of ternary complex.

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PP: 20. ONE-POT, THREE-COMPONENT SYNTHESIS OF 2-((ANTHRACEN-9-YLMETHYLENE) HYDRAZONO)-3-

PHENYL-2,3-DIHYDROTHIAZOLE-5-THIOL ANALOGUESAND THEIR BIOLOGICAL EVALUATION ANTI-CANCER

ACTIVITY AND MOLECULAR DOCKING STUDIES

Rambabu Palabindela, Rajashekar Korra, Prabhakar Myadaraveni,Devendar Banothu and Mamatha Kasula*

Department of Chemistry, Kakatiya University, Warangal, 506009, IndiaE-mail: [email protected]

A one-pot, three-component, (without transition-metal strategy) synthesis of 2-((anthracen-9-ylmethylene)hydrazono)-3-phenyl-2,3-dihydrothiazole-5-thiolderivatives (4S1-4S24) under iodine as a catalyst and dimethyl sulfoxide as an oxidant.All the new derivatives were well analyzed by 1HNMR, 13CNMR, FTIR, mass spectraland elemental analysis data. All the synthesized compounds were evaluated for theirin vitro cytotoxic activity against MCF-7, A-549 and HeLa cancer cell lines usingMTT assay. Cytotoxic activity results revealed that, the compounds 4S2; 4S5 and 4S10

has shown a broad spectrum of activity against MCF-7 and A-549 which is comparableto the standard drug, cisplatin. Remaining compounds have shown good to moderateactivity against the tested cell lines and all the results were correlated with study ofmolecular docking against pharmacological protein EGFR receptor. This exhibitslowest binding energy of -11.85 kcal/mol, -11.50 kcal/mol and -11.07 kcal/mol for4S2, 4S5and 4S10 compounds, respectively towards the in vitro anti-cancer activity.



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PP: 21. NOVEL BIOPLASTIC-COMPOSITES OFPOLYCINNAMOYLS WITH POLY(BUTYLENE SUCCINATE)

Maninder Singh1 and Tatsuo Kaneko1

1Graduate School of Advanced Science and Technology, Energy and EnvironmentArea, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi,

Ishikawa 923 1292, Japan

Development of nature-benign materials are in great demand as they cause no harmand can be useful for solving environmental problems. Environmentally benign, highperformance polymers poly(4HCA-co-DHCA)s (4-hydroxycinnamic acid (4HCA) anddihydroxycinnamic acid (DHCA)) were synthesized using phenolic biomonomers,which have high thermal and mechanical performances than conventional aliphaticpolyesters. Poly(4HCA-co-DHCA)s are brownish in color and look alike wood but itis too rigid intrinsically. The polymers can be good candidates if mechanical ductilityis imparted. To improve the ductility of poly(4HCA-co-DHCA), some aliphaticpolyesters such as polybutylenesuccinate (PBS), which was derived from biomonomersand is biodegradable, was composed. In this report, we will present the formationprotocol for composites of rigid poly(4HCA-co-DHCA) with flexible PBS, to makeductility control .

PP: 22. ADSORPTION OF LEAD FROM INDUSTRIALWASTEWATER BY ACIDIFIED NEEM SAW DUST

Bejawada Surendraa and Meena Vangalapati*b

a Research scholar, Department of Chemical Engineering, AUCE (A), AndhraUniversity, A.P, India

*bProfessor, Dept of chemical Engineering, AUCE (A), Andhra University, A.P, IndiaE-mail: [email protected]

The major changeling problem in recent times is dealing with environmental pollution.The water pollution caused due to high percentage of toxic heavy metals like lead,chromium, nickel etc. Due to which removal of lead is an important criteria to maintainhealthy environment. Lead removal is more efficient using adsorption method withacidified saw dust. The removed lead is evaluated using various parameters like pH,

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contact time, temperature. The highest removal percentage of lead i.e 94.02% can beidentified at optimum agitation time of 90 mis, optimum adsorption dosage of 1gm/ml, optimum initial concentration of 40 ppm, optimum pH of 3, optimum temperatureof 303K. Finally, The results of the work concludes that high efficiency of removal isobserved in adsorption process by acidified neem saw dust.

PP: 23. SYNTHESIS AND ANTIFUNGAL ACTIVITY OF SOMENEW DERIVATIVES OF 5,7-DIMETHYLISATIN

Nisheeth RastogiDepartment of Chemistry, Dr.W. E. Bauer Research Laboratory, Lucknow Christian

Degree College, Lucknow-226018, Uttar Pradesh, IndiaE-mail: [email protected]

Some new 1-substituted -3-[4-(2,4-dichlorobenzyloxy)-benzoylhydrazono]-5,7-dimethylisatins (Schiff bases) and 1-aminomethyl-3-[4-(2,4-dichlorobenzyloxy)-benzoylhydrazono]-5,7-dimethylisatins (Mannich bases) have been synthesised andscreened for their antifungal potential against human pathogenic fungi viz., Candidaalbicans, Cryptococcus neoformans, Candida parapsilosis, Trichophytonmentagrophytes and Aspergillus fumigatus. The structures of the Schiff and Mannichbases have been elucidated with the help of elemental analysis and spectral data (IRand PMR).



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PP: 24. SYNTHESIS AND ANTIFUNGAL POTENTIAL OFSOME NEW1,3,4-OXADIAZOLES

Nisheeth Rastogi*1 and Maulindu2

1Department of Chemistry, Dr. W. E. Bauer Research Laboratory, LucknowChristian Degree College, Lucknow-226018, Uttar Pradesh, India

2Department of Physics, Lucknow Christian Degree College, Lucknow-226018,Uttar Pradesh, India


5-[4-(4-Fluorobenzyloxy) phenyl]-1,3,4-oxadiazole-2(3H)-thione and its N and Ssubstituted derivatives have been synthesised and screened for their antifungal potentialagainst human pathogenic fungi viz. Candida albicans, Cryptococcus neoformans,Sporothrixschenckii, Trichophyton mentagrophytes and Aspergillus fumigatus.Thestructures of the compunds have been establised by means of elemantal analysis andspectral data (IR, PMR and Mass).

PP: 25. EUGENIA JAMBOLANA LAM.SEEDAS AN ADSORBENT:EVALUATION OF ADSORPTIVE CHARACTERISTICS FOR

CR(II) FROM AQUEOUS SOLUTION

Nitish GuptaDepartment of Applied Chemistry and Chemical Technology , Shri G.S. Institute ofTechnology and Science, 23 Park Road Indore (452003) Madhya Pradesh, India

E-mail address: [email protected], [email protected]

In the present study, the removal of chromium(VI) from aqueous solutions usingEugeniajambolana Lam. (commonly known as Jamun) seed investigated. Adsorptionstudy were performed in batch and various parameters like the effects of pH, contacttime, adsorbent concentration, Cr(VI) ion concentration and temperature were usedto know the effect on adsorption efficiency. The adsorption increased with increasedconcentration of the adsorbents and reached maximum uptake at 1.0g/ 100mL at pH6. Two kinetic models, pseudo first and second-order were used to correlate theexperimental data. For all the two kinetic models, kinetic constants were calculated

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and the second-order rate expression fitted well with rate constants 0.980 X 10-2,0.160 X 10-2 and 0.089 X 10-2 for 10, 50 and 100 mg/l respectively for Cr (VI). It maybe concluded that Eugenia jambolana Lam.seedcan be used as an effective adsorbentfor removing Cr(VI) from aqueous solutions.

PP: 26. ACRYLIC EMULSION PAINTOFMETHYLMETACRYLATE / BUTYL ACRYLATE

CROSSLINKED POLYMER

Payal Devi*, Preeti Das and Jaspal SinghDepartment of Chemistry Gurukul Kangri Vishwavidyalya, Haridwar


The self-crosslinked nano-emulsion was prepared via pre-emulsified and semi-continuous seeded emulsion polymerization technology in the presence of N-methylolacryamide and glycedyl methyl acrylate. The application of emulsion in painttechnology as a binder. The influence of mass ratio of BA to MMA, amount of N-methylolacryamide and glycedyl methyl acrylate on the paints properties of the self-crosslinked emulsion was studied. The results show that the self crosslinked acrylateemulsion with high viscosity can be synthesized when the mass fractions of BA is50%, MMA is 50%, and added amount of N-methylolacryamide is 0.3%”1.0% andadded amount of solidum persulphate is 0.5%”1.5%. The particle size of emulsion inthe range of 200 to 470 nm.



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PP: 27. SYNTHESIS, ANTIOXIDANT, ANTIMICROBIAL ANDANTITUBERCULAR ACTIVITIES OF INDOLYL-

DIHYDRO[1,2,4]TRIAZOL[1,5]PYRIDIN-3-CARBOXYLATEDERIVATIVES

PrabhakerWalmik,* G. Krishnamurthy and P. Parameshwara NaikDepartment of Post-Graduate Studies & Research in Chemistry,

Sahyadri Science College, Shivamogga-577 203, Kuvempu University,Shivamogga. India


The present study anticipates the development of novel antioxidant, antimicrobialand antitubercular drugs by using the indole scaffold.A mixture of 2-cyanoacetohydrazide (1), 2, 5-disbsituted indol-3-carboxaldehyde (2), ethyl-2-cyanoacetate (3) in ethanol using catalytic amount of acetic acid under refluxtemperature to afforded ethyl 1, 2-diamino-4-(5-substituted-2-phenyl-1H-indo-3-yl)-5-cyano-6-oxo-1,6-dihydropyridin-3-carboxylates (4a-c). Compounds 4a-c react withtriethylorthoformate under reflux condition to gave Ethyl 7-(5-sunstituted-2-phenyl-1H-indo-3-yl)-5-cyano-6-oxo-1,5-dihydro[1,2,4]triazol[1,5]pyridin-3-carboxylates(5a-c). Compounds 5a-chydrazinolysisin boiling ethanol afforded the Ethyl 7-(5-chloro-2-phenyl-1H-indo-3-yl)-5-cyano-6-oxo-1,5-dihydro[1,2,4]triazol[1,5]pyridin-8-carbohydrazides (6a-c).Structure of all the newly synthesized compounds have beenaccomplished on the basis of elemental analyses and spectral techniques like IR, 1HNMR, 13C NMR and Mass spectroscopy. All the previously synthesized compoundsscreened for their antioxidant, antimicrobial and antitubercular activities.Compound5aexhibited good RSA 76.58 %, IC50 value<25 μg/mL. Compound 5aexhibited higher absorbance 0.691nm, at concentration 100 μg/mL. Compound 6ashowed good metal chelating activity (64.10 %) at a concentration 100 μg/mL.Compound 6a showed potent activityagainstS. aureus andP. aeruginosa.Compounds4a and 5a showed promising antitubercular activity MIC 6.25 μg/mL. Compound 6ashowed excellent activity (MIC= 3.125 μg/mL) against M. tuberculosis H37Rv, thanthe standards pyrazinamide (MIC= 3.125) and Streptomycin (6.25 μg/mL).

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PP: 28. QUANTUM BIOLOGY

Prakash Ranjan and Shri Niwash SinghDepartment of Chemistry, H. D. Jain college,V. K. S. University Ara -802301

E-mail:[email protected], [email protected]

Biological systems are dynamical, constantly exchanging energy and matter with theenvironment to maintain the non –equilibrium state synonymous with living. Quantumbiology is the study of such processes,and here we provide an outline of the currentstate of the field, as well as insights in to future directions.In photosynthesis,respirationand vision, the models that have been developed in the past are fundamentally quantummechanical. Quantum biology explains the quantum mechanics and theoreticalchemistry to biological object and problems. This article offers a perspective on wherequantum biology stands today, and identifies potential avenues for further progress inthe field.

PP: 29. EXTRACTION OF PAPAYA PROTEASE THROUGHTRIPLE PHASE SYSTEM

Priyanka Singha and R. M. Banikb*aDepartment of Bioscience and Biotechnology, Banasthali Vidyapith

bSchoolof Biochemical Engineering, IIT (BHU), Varanasi

Three phase partitioning system was used for the purification of proteases frompineapple peels using ammonium sulphate and t-butanol. Triple phase system (TPP)was developed by adding ammonium sulphate (20% to 60%) and t-butanol (0.5 to2ml). Extracted protease enzyme from dried peels of pineapples was added to aboveTPP system. The maximum partition coefficient was obtained for TPP system with(50%) ammonium sulphate and (1.5ml) t-butanol. The protease enzyme showed highdegree of recovery (177.35%) and purification fold (3.018) in TPP system. This systemcould be used as low cost purification technique for recovery of protease at largescale.



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PP: 30. DESIGN, SYNTHESIS AND DFT PREDICTIONS OFNEW AZO-COMPOUNDS HAVING DONOR-Ð-ACCEPTOR

DYES FOR DYE-SENSITIZED SOLAR CELLS

Dharmendra Biswal, Anik Sen and Anjali Jha*

Department of Chemistry, GIS, GITAM (Deemed to be University), Rushikonda,Visakhapatnam-530045, India.

E-mail: [email protected], [email protected],[email protected]

The extensive use of Earth’s fossil energy sources are impacting the energy requirement ofmankind in the world. This will cause a negative impact on the climate and their extinctionin near future require the increase ed in the efficient usage of renewable energy sources. Inthis context, the harness of solar energy is a challenging area of research. The Dye-sensitizedsolar cells (DSSCs) are regarded as third generation low-cost solar cells, and significantprogress has been made since Gratzel et al reported the Ru-dye based DSSCs in 1991.DSSCs offer advantages over the conventional silicon based solar cell due to costeffectiveness, flexible shape, easy accessibility of dye resources, and remarkableperformance. However, the use of precious metal (Ru), and their carcinogenic nature,increases the cost of Ru solar cells, prompted the many scientists to develop metal freeorganic cost effective DSSCs.Enthusiast by above findings, we have designed and developedazo compounds through experimental and theoretical means, varying donor and acceptorgroups and part of the ð-spacer linked to the N=N, which will have an important effect onthe efficiency of such dyes. The substituted amino-benzoic acid was diazotized and coupledwith various donor and acceptor moieties. The donor benzene ring was attached by N=Nð spacer having different anchor groups. After spectral characterisation of the resultingcompounds are checked for their harnessing power of solar energy by DFT calculationsand also designed new ones with DFT calculations. The details experimental and theoreticalfindings will be presented in the conference.

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PP: 31. IN SILICO MOLECULAR DOCKING STUDIES OFMERODITERPENOIDS AGAINST FOXO1

Rakesh Davella1 and Estari Mamidala2

1,2 Infectious Diseases Research Lab, Department of Zoology, Kakatiya University,Warangal-506009, Telangana State, IndiaE-mail: [email protected]

In spite of the global occurrence of type-2 diabetes mellitus (T2DM) infection andlack of auspicious treatment for Diabetes patients, there are only a few drugs acceptedfor the managing of infected patients. The objective of this study is the evaluation ofMero-diterpenoidcompounds for anti-T2DM activity. In silico anti-T2DM leadprioritization was performed on a set of known compounds fromStypopodiumflabelliforme. The energy minimized structures of these molecules weredocked into FOXO1. Docking experiments were done using Autodock software fornine compounds docking with FOXO1.In the present study, 9 compounds(Atomarianone-A, flabellinol, flabellinone, Isoepitaondiol, stypodiol, stypoldione,stypoquinonic-acid, stypotriol, taondiol.) were docked into FOXO1 and out of nine,one compound, Flabellinol indicated high binding score (-8.41 kcal/mol) and theresidues SER:205,212 TRP:160,209 PHE:197 LYS:200 TYR:165,196 GLY:208ASN:158 were might play important roles in binding with these compound.



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PP: 32. DESIGN, SYNTHESIS, AND BIOLOGICALEVALUATION OF SOME COUMARINYL LINKED

PYRAZOLYLTHIAZOLES

Sunil Kumar1,2, Indresh K. Maurya3, Mukesh Kumari4 and Ramesh Kataria2

1Department of Chemistry, School of Basic and Applied Sciences, MaharajaAgrasen University, Baddi, Solan-174103, Himachal Pardesh-, India.

2Department of Chemistry & Centre of Advance Studies in Chemistry, PanjabUniversity, Chandigarh-160014, India.

3Department of Microbial Biotechnology, Panjab University, Chandigarh-160014, India.4K.M. Government College, Narwana-126116, India.


The major consequences of the use and abuse of antibacterial drugs are the developmentof resistant strains due to genetic mutability of both pathogenic and nonpathogenicmicroorganisms. We herein report the synthesis of coumarin-thiazole-pyrazolemolecular hybrids with an effort to explore and overcome the increasing antimicrobialresistance. The antimicrobial activity of the synthesized compounds was investigatedagainst various pathogenic strains; the results obtained were explained with the helpof DFT and molecular orbital calculations. Two compound displayed goodantimicrobial activity and synergistic effects. Furthermore, in vitro cytotoxicity ofboth the compounds were studied against HeLa cells and Hek-293 cells.

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PP: 33. ELECTRON-PHONON INTERACTION IN QUANTUMWELL

Richa Saini and Anita ChamolaDepartment of Physics, Kanya Gurukul Campus,

Gurukul Kangri Vishwavidyalaya, Haridwar-249404E-mail: [email protected]

The behavior of various scattering process of semiconductor quantum well with respectto energy has been reported in new frame of work. In the present formulation, therelaxation times of various participating processes have been evaluated in terms oflifetime (linewidths) via a comprehensive Hamiltonian which includes the contributiondue to electrons, phonons, and electron- phonon interactions. The evaluation of lifetimeis carried out by double-time temperature-dependent Green’s function theory. Obtainingresults have been different as compared to bulk materials. This can be attributed dueto the reduction of phonon group velocity and larger surface to volume ratio, whichaffect the mean free path of electrons and phonons. The present theoretical model canbe useful for other semiconductor nanostructures too.

PP: 34. ULTRASONIC STUDIES OF SUBSTITUTED SOMEPYRAZOLINE AND ISOXAZOLINES IN DIOXANE-WATER

AND DMF-WATER MIXTURE

Ganesh D Tambatkar, Datta D Lokhande, Suarav G Shegokar and Hariom VDhumale

Department of Chemistry, Shri.D.M.Burungale Science & Arts College,Shegaon-444203, India


Ultrasonic velocity of pyrazoline like HBMPMPPZOLINE and isoxazolines likeHCMPMPIZOLINE and HBMPMPIZOLINE in dioxane-water and DMF-watermixture have been determined. From these measured values, apparent molal volume(?v), partial molal volume (?0v), adiabatic compressibility ?K(s), intermolecular freelength (Lt) and relative association have been calculated at 305° K. The observed and



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calculated values have been used to explain molecular association due to strong ion-ion interactions. The above study may be helpful in understanding the dynamicsbetween metal ions and pyrazolines and isoxazolines.

PP: 35. CYCLIC VOLTAMMETRIC STUDIES OF 2-ACETYL-1-NAPHTHOL SULFADIAZINE

Sarita Varshney,* G. L.Kumawat and A. K. VarshneyDepartment of Chemistry, University of Rajasthan, Jaipur-302004, Rajasthan, India


The electrochemical reduction behaviour of a Schiff base synthesized from 2-acetyl-1-naphthol and sulfadiazine was studied in DMF-phosphate buffer medium over 50 mVto 250 mV sweep rates, and at pH 5, 7 and 9 using the cyclic voltammetric technique.All cyclic voltammograms obtained in these conditions exhibit a single irreversiblereduction peak in cathodic direction. The effect of scan rates and pH observed, andkinetic parameters such as charge-transfer coefficient (án), diffusion coefficient (Do

1/

2) and rate constant (k°f,h) evaluated for irreversible and diffusion controlled reduction.

PP: 36. SYNTHESIS OF HEXAHYDRO-SYM-TRIAZINESUSING PEG-400 AS SUPERIOR SOLVENT

Giribala M. BondleDepartment of Chemistry, Dr. Babasaheb Ambedkar Marathwada University,

Aurangabad-431004 (Maharashtra), India.E-mail: [email protected]

1,3,5-Hexahydrotriazine derivatives show broad spectrum of biological activities suchas anticancer, antitumor. Some of their derivatives are used as carcenolytics, herbicidesand show antidote and growth stimulating activities. Very few methodologies arereported for the synthesis of symtriazines. Synthesis of trimer of hexahydrotriazinesis pH sensitive reaction and instead of using any acidic and basic conditions, we triedto synthesize this trimer under neutral conditions. Synthesis of 1,3,5-hexahydrosymtriazine derivatives has been achieved by treating para-substituted aniline with

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solution of paraformaldehyde using PEG-400 as neutral medium using grindstonemethod.Symtriazine derivatives were synthesized in good to excellent yields (95-70%)within a short time of 5-7 minutes by grindstone technique using PEG-400 as neutralsolvent medium. All the synthesized compounds were characterized by 1HNMR,13CNMR, Mass and Melting point. This is the first report for the synthesis of 1,3,5-hexahydro-sym-triazine trimer starting from aniline/substituted aniline andparaformaldehyde in the presence of reusable and environmental friendly solvent mediaPEG-400 by grindstone technique.

PP: 37. REMOVAL OF ANTIBIOTIC DRUG CEPHALOSPORINFROM WASTE WATER USING 3D NIFE2O4 NANOPARTICLES

Arvind ParasharDepartment of Chemistry, Jiwaji University, Gwalior-474011, INDIA

*Corresponding author. Mob: 9926287702E-mail: [email protected]

This manuscript reports the adsorption performance of 3D porous NiFe2O4

nanoparticles for decolorization of waste water containing cephalosporin drug. Kineticsand isotherms curves for the adsorption of cephalosporin drug on (3D porous NiFe2O4)have been determined. Batch kinetic and equilibrium experiments were carried out todescribe the adsorption of cephalosporin onto developed materials 3D porousNiFe2O4nanoparticles . Magnetic materials have great potential for the removal ofpharmaceuticals from water and waste water and exhibit advantages including thereduction of secondary pollution, high adsorption capacity and easy of separation.



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PP: 38. SYNTHESES AND FUNCTIONAL STUDIES OF 3-QUINOLINECARBALDEHYDE HYDRAZONES FROMN-

ARYLACETAMIDE USING VILSMEIER HAACKCYCLIZATION

Sreenivasulu Enumula*, Alfhiya Shaikh, Semvelu and Khursheed AhmedDepartment of Chemistry and Post Graduate Research Centre, Abeda Inamdar

Senior College, Pune-411001, India.E-mail: [email protected]

Growing bacterial resistance towards antibacterial agents has created an urge to designand developed new range of antibacterial agents. The quinolinecarbaldehyde has wellestablished profile as antibacterial agent. Hydrazides containing heterocyclic systemsoffer a promising proposal for the development of hydbrid compounds with increasedefficacy than the parent quinolinecarbaldehyde. This aspect has been explored throughsynthesis of four conjugates inspired from quinolinecarbaldehyde and heterocyclichydrazides. Herein we report the synthesis of 3-quinolinecarbaldehyde hydrazonederivatives with their antibacterial activity in the present study. These 3-quinolinecarbaldehyde hydrazone derivatives have been characterized by analyticaltechniques such as FT-IR and 1H-NMR. The results of antibacterial screening are alsopresented in this work. Hydrazides containing isoniazide and parahydroxyphenyl grouphave shown commendable activity against gram positive E. coli.

PP: 39. CONTROLLED RELEASE OF OXYTETRACYCLINE(OTC) FROM CARBON NANOPARTICLES LOADED

CHITOSAN FILM

R. Kandra and S. K. BajpaiPolymer Research Laboratory, Govt. Science College, Jabalpur


In this study, antibacterial drug Oxy tetracycline(OTC) was loaded in to carbonnanoparticles (CNPs)/chitosan(Ch) nanocomposite films for controlled release inwound healing management. The OTC loaded CDs/Ch films were characterized by

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FTIR, XRD, SEM and AFM analysis. The kinetic drug release experiments revealedthat films, loaded with different quantities of carbon nanoparticles, showed an inversedependence on the amount of CNPs loaded. Moreover, films loaded with differentquantities of drug but with same quantity of carbon nanoparticles, showed a positivedependence on release data. The kinetic data, obtained were fitted by various kineticmodels and the order of fitness of these models was Schott model > Power functionmodel > First order kinetics. Finally, the films showed fair antibacterial activitiesagainst the model bacteria E. Coli and virus Staphylococcusas studied by method ofZone of Inhibition.

PP: 40. SYNTHESIS, MECHANICAL PROPERTIES OFFLUORESCENT CARBON DOTS LOADED NANOCOMPOSITE

CHITOSAN FILMS FOR WOUND HEALING AND DRUGDELIVERY

Ranju Kandra1 and Basharat Suhail2

1Polymer Research Laboratory, Department of Chemistry,Govt. Model Science College

Jabalpur (M.P.)-4820012Centre of Excellence Nanotechnology, Indian institute of technology,

Roorke (Uttrakhand)E-mail: [email protected], [email protected]

Fluorescent carbon nanoparticles (CNPs) are a new class of carbonnanomaterials and have demonstrated excellent optical properties, goodbiocompatibility, great aqueous solubility, low cost, simple synthesis, etc. Sincetheir discovery, various synthesis methods using different precursors havebeen developed, and are mainly classiûed as top-down and bottom-upapproaches. The contact angle measurements revealed that wettability of plainchitosan film reduced due to addition of carbon nanoparticles. It was found that,impregnation of carbon dots into chitosan film resulted in an almost seven fold decreasein the water absorption capacity of the film. The equilibrium moisture uptake(EMU)data of plain chitosan and CQD-loaded chitosan films were interpreted by GABisotherm and related parameters were also evaluated. Finally, the moisture permeation



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capacities of the plain Ch and Carbon dots loaded sample Ch/CNP was found to be1758 and 956 g/m2 /day. In addition, Bovine serum albumin (BSA) adsorption wasfound 24.2 mg /m2 for plain sample while it decreased to 14.1 mg/m2 as CDs wereincorporated into film matrix. The anti-oxidant property was evaluated in terms of %scavenging of DPPH, SO and Hydroxyl radicals. It was observed that for all the freeradicals, % scavenging increased with increase in CDs contents in the films.furthermorewe load the oxytetracycline drug in nanocomposites film for wound healing and drugdelivery.

PP: 41. STABILITY INDICATING UPLC -METHODDEVELOPMENT AND VALIDATION FOR SIMULTANEOUS

DETERMINATION OF GLECAPREVIR AND PIBRENT AS VIRIN TABLET FORMULATION

G. Rajitha* and A.GeethaSusmitaInstitute of Pharmaceutical Technology, Sri Padmavati MahilaVisvavidyalayam

(Women’s University), Tirupati-517502, Andhra Pradesh, India.

A novel and sensitive RP-UPLC method was developed for the simultaneous estimationof glecaprevir and pibrentasvir in pharmaceutical formulations. The developed methodwas run through Acquity UPLC CHS C18 (50 X 2.1mm 1.7μ) column utilizing themobile phase of OPA buffer (4.2pH): Acetonitrile (60:40 v/v) at a flow rate of 0.35ml/min and 30°C. The eluents were detected at the wavelength of 260nm using TUVdetector.The retention times for glecaprevir and pibrentasvir were 0.425min and0.755min. The calibration curves were found to be linear with R2 values, calculatedfrom regression equations were of 0.9996 for glecaprevir (y= 5486.4x+1700.1) and0.9993 for pibrentasvir (y=5201.3x+771.27). % RSD of glecaprevir and pibrentasvirwas found to be 0.3 and 0.8. Percentage recovery was found to be 100.05% forglecaprevir and 99.66% for pibrentasvir. LOD and LOQ values for glecaprevir andpibrentasvir were 1.03 &0.97 and 0.34 & 0.32. The drug samples were exposed todifferent stressed conditions and the results showed that all degradation productswere satisfactorily separated from each other and from the peak of the drugs usingdeveloped method. This proposed method is simple, fast, accurate, precise andreproducible. Hence, it can be applied for routine quality control analysis of glecaprevirand pibrentasvir in bulk and pharmaceutical formulations.

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PP: 42. KINETIC STUDIES ON THE ADSORPTION OFSULFASALAZINE ONTO 3D POROUS NIFE2O4

NANOPARTICLES

Shalini SikarwarDepartment of Chemistry, Jiwaji University, Gwalior-474011, (INDIA)


The presence of pharmaceutical in aquatic environments poses potential human healthand ecological risks. The Domestic and commercial wastewaters contain a variety oforganic wastewater contaminants such as pharmaceuticals and personal care products.These compounds undergo incomplete removal in wastewater treatment plants andthey are found in the surface waters receiving the effluents of these plants. In thisstudy, we report an approach for the adsorption of Sulfasalazine from wastewaterusing 3D Porous NiFe2O4 nano particles. The results showed that the adsorption ofSulfasalazine onto 3D Porous NiFe2O4 nano particles has some advantages such ashigh adsorption capacity and short adsorption time. Three equilibrium isotherm models,namely, Tempkin Isotherm, Freundlich Isotherm and Langmuir Isotherm, were studiedand parameterized. The Langmuir and Freundlich models described the sorptionisotherms well and the sorption thermodynamic parameters of standard free energy(“G), standard enthalpy (“H), and standard entropy changes (“S) were measured. Theestimated values for ÄGo were -12.94×102 KJ mol-1 over 3D Porous NiFe2O4 nanoparticles at 303 K (30oC), indicate toward a spontaneous process. The kinetic datawere analyzed using Lagergren pseudo-first order and Intra particle diffusion rateequations. The rate equations fitting showed that the adsorption kinetic data generallyfitted the rate equations tested from which the rate constants and diffusion rate constantswere estimated. However, the Lagergren pseudo first-order rate equation gave thebest fit and, thus the process followed first-order rate kinetics. The proposed methodis easy to apply, does not use polluting reagents and require relatively inexpensiveinstruments.



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PP: 43. SYNTHESIS OF SOME INDOLE DERIVATIVES ANDTHEIR INCLUSION COMPLEXES WITH -

CYCLODEXTRINE

Rajeev Kumar1, Madhu Bala2 and Irshad Ali3

Research Scholar, Dept. of Chemistry, J.P. University, Chapra, BiharDept. of Chemistry, R.K. Mahila College, Giridih, Jharkhand

Dept. of Chemistry, B.N. College, Patna, BiharE-mail: [email protected]

Isatine forms condensation product with semicarbazide (IstscabH), thiosemicarbazide(IsttscabH) and thiocarbohydrazide (BistcarbH) as bright yellow products. These isatinederivatives form 1:1 molar inclusion complexes with -cyclodextrine (-cydx - C42

H70 O35, a oligosachharide) of compositions (-cydx - IstscabH), (-cydx - IsttscabH)and (-cydx - BistcarbH). -cyclodextrine consists seven D-glucose unit joined through14-alpha linkages in such a way as to form a ring a chain bracelet each link of whichin pyranose hexagon. The diameter of -cyclodextrine ring is about twice the ring of18-crown - 6 and its hole (4.5A across) in twice broad. The 1:1 inclusion complexesof Isatine derivatives Isatinylsemicarbazide (IstscabH), Isatinylthiosemicarbazide(IsttscabH) and Bis-isatinylthiocarbohydrazide (BistcarbH) are more thermaly stablethan -cyclodextrine (2400C). The IR and NMR spectra of isatine derivatives are affectedon association and inclusion with -cyclodextrine ring. The complexes as well as isatinederivatives show ionic nature at room temperature in DMF solution.

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PP: 44. DESIGN AND SYNTHESIS OF NOVELTETRAHYDROFURAN CYCLIC UREA DERIVATIVES AS

ANDROGEN RECEPTOR ANTAGONISTS

Muralikrishna Yaragani, *Giridhar Thota and *Ravindra V. SinghR&D and Custom Synthesis, Merck Life science, Plot#12, Bommasandra-Jigini

Link Road, Bangalore 560100, India.E-mail: [email protected],

[email protected]

To improve the antiproliferative activity of androgen receptor (AR) antagonists, whichused clinically for the treatment of prostate cancer that is a major cause of male deathin worldwide,1-3] we report design and synthesis of a series of tetrahydrofuran cyclicurea based non-steroidal small molecule AR antagonists and exhibit potent ARantagonistic activity. These molecules with higher sterochemical aspects have beenachieved by changing the hydantoin analog antiandrogens to 4-((3aS,6aR)-2-oxohexahydro-1H-furo[3,4-d]imidazol-1-yl)-2-(trifluoromethyl)benzonitrile. Here, thethio-hydantoin pharmacophore of the recently reported antagonists is replaced bytetrahydrofuran cyclic urea. The antiproliferative properties of these molecules havebeen evaluated against androgen dependent (LNCaP) cell line. Among the reportedmolecules, 4-((3aS,6aR)-2-oxohexahydro-1H-furo[3,4-d]imidazol-1-yl)-2-(trifluoromethyl)benzonitrile (ARO4) showed significantly improved in vitro activity,IC50 = 3.926 μM. Structure”activity relationship studies confirmed that the oxetaneanalog AR04 is distinct from other synthesized AR antagonists. we have designedand synthesized cyclic urea tetrahydrofuran-based compounds as a new class ofnonsteroidal AR antagonists.Here, we replaced the thio-hydantoin skeleton into cyclicurea tetrahydrofuran. We evaluated in vitro activity of the synthesized compound againstthe androgen sensitive LNCaP cell line. Even though all the compounds have samestructural features, the compound with oxetane ring linked amide group (AR04) showsvery better activity than that of its counterparts confirms the role of the oxetane ringon the activity of the molecule. It indirectly represents that introduction of the strainedoxetane ring is also very useful while designing new drugs for the treatment of prostatecancer.



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PP: 45. KINETICS AND MECHANISM OF OXIDATION OFRANOLAZINE HYDROCHLORIDE BY KMnO4 IN AQUEOUS

SULPHURIC ACID MEDIUM

Ramyashree H1 and Vidyavati shastry2

1Department of chemistry, SEA College of Engineering and technology, Bangalore, India2Department of chemistry, SEA College of Engineering and technology, Bangalore, India


Kinetics and mechanism of oxidation of Ranolazine hydrochloride by Mn(VII) inaqueous sulfuric acid medium at 298K. Kinetic measurements were performed on asystronics UV- visible spectrophotometer. The reaction stoichiometry was determinedand the results indicate that one mole of Ranolazine HCl require one mole of Mn(VII).Product was found by using LCMS. The effect of added products, ionic strength werestudied on the rate of reaction. And also studied the thermodynamic activationparameters. A suitable mechanism has been proposed on the basis of experimentalresults.

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PP: 46. A NOVEL METHOD FOR SYNTHESIS AND THEIRANTIMICROBIAL ACTIVITY OF 1H -TETRAZOLE BASED

FLAVONES AND FLAVANONE DERIVATIVES UNDERULTRASONIC, MICROWAVE IRRADIATION METHODS

D. Ashok 1, Nalaparaju Nagaraju 1 and M. Sarasija2

1Green and Medicinal Chemistry Laboratory, Department of Chemistry, OsmaniaUniversity, Hyderabad, 500007, Telangana, India;

2Department of Chemistry, Satavahana University, Karimnagar, 505001,Telangana, India.


A series of novel tetrazole scaffolds containing flavones and flavanones have beensynthesized under conventional, ultrasonic and microwave irradiation methods. Allthe newly synthesized compounds were characterized by IR, NMR and Mass spectralanalysis. Furthermore, the title compounds were screened in vitro antimicrobial activityagainst bacteria such as Staphylococus aureus, Bacillus subtilis, Klebsiella pneumoniaeand Escherichia coli as well as fungi such as Aspergillus Niger, Aspergillus flavus andFusarium oxysporum. Some of the compounds showed very good activity comparedto standard drugs against all pathogenic bacteria and fungi.

PP: 47. STUDIES OF EXTRACTION OF NATURALANTIOXIDANTS FROM BIOMASS RESIDUES

Rakesh Singh1 and V.K. Varshney2

1Department of Chemistry, DBS (PG) College, Dehradun (Uttarakhand)2Chemistry and Bio-prospecting Division, Forest Research Institute (FRI),

Dehradun (Uttarakhand)E-mail: [email protected]

After extraction of essential oils from wood and some aromatic crops, bulk quantitiesof biomass residues are produced as by-products. Through extraction of such biomassresidues, which are available at cheaper prices, natural antioxidants can be derived.These natural antioxidants have gained importance compared to synthetic antioxidants,



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which are associated with toxicity, risks and health hazards. Under the paper, thepotential of natural antioxidant have been provided focusing on active ingredientswith commercial viability along with beneficial health aspects. The study also providesways to supplement the income of farmers and hence contribute in socio-economicdevelopment of rural India.

PP: 48. SYNTHESIS, CHARACTERIZATION ANDANTIMICROBIAL STUDIES ON THE METAL COMPLEXES

OF 4-NITROANILINE BASED SCHIFF BASE

S. Kantha Raju1 and E. Vijaya Sekhar*2

1 Dept of Chemistry, SJRC, Bengaluru-5600092* PG Dept of Chemistry, JSS College for Women, Saraswathipuram,

Mysuru-570009. E-mail: [email protected]

The Fe(III), Ru(III), Co(II), Ni(II), Cu(II), Pd(II), Zn(II), Cd(II) and Hg(II) complexesof a Schiff base derived from 4-Nitroaniline and Salicilaldehyde have been synthesizedand structurally characterized by various physico-chemical data. The ligand acts asmono negative, bidentate one towards the metal ions coordinating through azomethinenitrogen and phenolic oxygen. The geometry and the bonding characteristics associatedwith the complexes have been deduced from relevant spectral data. All the complexesare colored and stable towards air and moisture. The complexes exhibit coordinationnumbers of 4 and 6. Further, the ligand and the metal complexes have been screenedfor their antimicrobial activities against two gram positive bacterial strainsBasillusSubtillus, Staphylococcus Aurusand two gram negative bacterial strainsEscherichia coli, Salmonella typhaethe, and two fungal strains Aspergillus niger andPenicillium rubrum by agar plate technique and the results are presented. Both theantibacterial and antifungal activities of the synthesized metal complexes were foundto be more as compared to that of the ligand.

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PP: 49. DESIGN AND SYNTHESIS OF QUINOLINE FUSEDFUNCTIONALIZED CHROMONES

Radhika Khanna1 and Aarti Dalal2

Department of Chemistry 1MMEC and 2GCW, Rohtak1Maharishi Markandeshwar, Mullana (Ambala)- 133207, Haryana (INDIA)

2Govt. College for Women, Rohtak-124001, Haryana (INDIA)E-mail: [email protected], [email protected]

Chromones behave as the important scaffolds for the development of bioactivecompounds.These frameworks are the naturally occurring derivatives containing anoxa-pyran ring. The most frequently found chromone-based natural products are the2-aryl substituted chromones (flavonoids) carrying hydroxy and methoxy groups.Therigid bicyclicchromone fragment has been classified as a privileged structure in drugdiscovery, due to its use in a wide variety of pharmacologically active compoundssuch as anti-cancer, anti-HIV, anti-bacterial and anti-inflammatory agents.In additionto the use of chromone derivatives as active component in bio-medical anddrugdevelopment research, reports are also there to justify them as efficient candidates forthegeneration of organic light emitting diodes (OLEDs). In context of this,a series offused aryl/heterocyclic chalcone derivative & 3-hydroxy Chromones derivative hasbeen synthesized via. Aldol type reaction and Algar Flynn Oyamada reactionrespectively with the hope of new lead molecule.The described synthetic protocoloffered the scaffold in good yield under optimum condition.



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PP: 50. SYNTHESIS, STRUCTURAL CHARACTERIZATION,THERMAL AND BIOLOGICAL STUDIES OF SOME

TRANSITION METAL COMPLEXES WITHAROYLHYDRAZONE LIGAND

K. A. Thakare and A. S. Aswar*Department of Chemistry, Sant Gadge Baba Amravati University, Amravati

444602, MS, India,*E-mail: [email protected]

The metal complexes of Ti(III) , Cr(III), Fe(III) , VO (IV ) , MoO2 (VI), WO2(VI)andTh(IV) ions have been synthesized with mononucleatinghydrazone ligand (E)-N-((2,4-dihydroxy phenyl)phenyl methylene) pyrazine 2- carbohydrazide derived fromcondensation reaction between pyrazine-2-carbohydrazide and 2,4-dihydroxybenzophenone in 1:1 ratio. The ligand and its complexes were characterized on thebasis of elemental analysis, magnetic susceptibility measurements, IR and electronicspectra , TGA, XRD, 1H NMR, mass spectroscopy and SEM analysis.The spectraldata revealed that the ligand act as a mono negative tridentate ligand coordinating tothe metal ion through ONO donor sequence. Spectroscopic and magnetic studiessuggest coordination of most of the complexes in a regular octahedral around thecentral metal ions except vanadium which is square pyramidal. Free ligand as well asits all metal complexes has been screened against the growth of pathogenic bacteria.The inhibition data revealed that metal complexes exhibit higher inhibition potentialagainst growth of bacteria and fungi than free ligand.

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PP: 51. PRODUCTION AND ANALYSIS OF BIODIESEL FROMJATROPHA CURCAS SEED: FROM FOSSIL FUEL TO GREEN FUEL

Smriti Singh1and Priynka Kumari2

1University Department of Chemistry, Ranchi University, Ranchi, Jharkhand2University Department of Chemistry, Ranchi University, Ranchi, Jharkhand


Biodiesel is an incompatible substitute that the research field is having these days inorder to meet shortage of conventional fuel and growing environmental concern. Oneof the initiatives that has been taken up is production of Bio-Diesel from the processingof non edible Jatropha Curcas plant seeds which has the potential to grow even in drymarginal non-agricultural lands. The seeds of Jatropha are crushed to give Jatrophaoil which is mixed with a homogeneous catalyst in a definite proportion and trans-esterification process is carried out for the mixture giving Biodiesel as output. Thephysical properties of extracted Jatropha biodiesel, such as flash point, fire point;cloud point, dynamic viscosity, density and pour point were found similar toconventional diesel. The emission level and performance of this biodiesel had beenobserved under various characteristics such as Thermal efficiency, BSFC, BSEC,Smoke density, HC, CO and Exhaust temperature. The performance result shows thatJatropha biodiesel can be a very good bio-fuel alternative for the future.

PP: 52. PHOTOCHEMICAL CONVERSION AND STORAGE OFENERGY USING PHOTOGALVANIC CELL EDTA - LISSAMINE

GREEN B- XYLENE CYANOL FF (LGB-XCFF) SYSTEM

Bijendra Singh 1 and C.Lal*2

1School of Chemical Sciences, Central University of Gujarat,2*Department of Chemistry Harcourt Butler Technological University, Kanpur, India.

Photogalvanic effect was investigated using EDTA - Lissamine Green B- XyleneCyanol FF (LGB-XCFF) system.Investigatedphotogalvanic system can be used for40 minutes in dark at its powerpoint,effect of various parameter on electrical outputof the photogalvanic cell was studied ,fill factor and conversion efficiency weredetermined by using the formula



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Vpp x ipp

Conversion Efficiency = ——————————— X 100%

Light Intensity (mW/cm2)

Where, Vpp = voltage at power point

Ipp= current at power point

Vpp ipp Fill factor (η) = ———————

Voc isc

Fill factor and conversion efficiency of the investigated system calculated as 0.40 and0.83 % respectively. On the basis electroactive species and investigated EDTA -Lissamine Green B- Xylene Cyanol FF (LGB-XCFF) system a mechanism ofgeneration of current has also been proposed.

PP: 54. SYNTHESIS AND MORPHOLOGICAL STUDIES OFIRON NANOPARTICLES AND ITS CYTOTOXICITY

1Indresh Kumar, 1R. M. Naik*,2 Gulam Abbas and Gajanan Pandey2

1Department of Chemistry, University of Lucknow- 226007, UP, India.2Department of Chemistry, School of Physical Sciences. Babasaheb Bhimrao

Ambedkar University, Lucknow-226025, U.P. India.E-mail: [email protected], [email protected]

Iron nanoparticles, (FeNPs) have been synthesized by using L-Ascorbic acid as areducing agent. The protein of Lung cancer cell lines which have different LD50

values with a different dosage of nanos displayed important routes in causing deathwith FeNPs and maintaining their carcinomatous stability and apoptosis againstlung cancer cell lines. Synthesized iron nanoparticles, (FeNPs) was characterized,using UV-Vis spectrophotometer, Field Scanning Electron Microscope (FESEM),

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Transmission Electron Microscopy (TEM), Fourier transform infrared spectroscopy(FT-IR) and X-Ray Diffraction (XRD) . The FESEM analysis confirmed the sphericalshape of obtained FeNPs. The XRD pattern of synthesized FeNPsshowed broad peaks,which confirm the nanocrystalline nature of synthesized Ni-NPs. The particle size ofthe FeNPs is calculated by Scherer formula-

D = 0.9ë / â cosè

Where - D is the crystallite size, ë is the wavelength of radiation used, è is the Bragg’sangle and â is the full-width at half-maximum measured in radian.

PP: 54. HYDROGEN ADSORPTION BY CARBON NANOFIBERS

Ranjana M Sakhare1, Swapni S Patil1, Madhuri Sharon*1and Ketankumar A Ganure

1Walchand Center for Research in Nanotechnology and Bio-Nanotechnology (wcRnb),Walchand College of Arts and Science, Solapur-413006 Maharashtra, India.

Hydrogen is the cleanest, sustainable and renewable energy carrier and hydrogen energysystem is expected to progressively replace the existing fossil fuels in the future.Carbon Nano Fibers (CNF) are identified as a storage material due to their highadsorption capacity, low cost, light weight and large surface area. CNF are obtainedfrom plant-based precursor. We report that, CNF (obtained from plant derivedprecursor) and decorated with NiO nanoparticles on the CNF surface have betterhydrogen storage capacity at room temperature. The samples were characterized bySEM and XRD. The hydrogen storage capacity was measured by Sievert’s apparatus.The NiO doped CNF exhibited higher hydrogen storage capacity then CNF



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PP: 55. EVALUATION OF BIOLOGICAL CONTAMINATION OFPUBLIC DRINKING WATER SOURCES

Prashant Singh1, Rajendra Dobhal2, Manindra Mohan3, Bhavtosh Sharma4

and Rakesh Singh5

1 Department of Chemistry, DAV (PG) College, Dehradun, Uttarakhand2Uttarakhand State Council for Science and Technology, Vigyan Dham, Jhajra,

Dehradun, Uttarakhand3Uttarakhand Council for Biotechnology, Haldi, U.S. Nagar, Uttarakhand

4Uttarakhand Science Education and Research Centre, Dehradun, Uttarakhand5 Department of Chemistry, DBS (PG) College, Dehradun, Uttarakhand

In rural India, about 60% illness and deaths take place due to enteric pathogens, relatedto water born diseases like typhoid, dysentery and cholera etc. Fecal-oral route is oneof the main sources of transmission of such diseases owing to microorganisms suchas bacteria, virus and protozoan etc. which are harmful to human health. Under thepaper, impact of biological contamination on public drinking water sources is evaluated.Results highlight the importance to control water born diseases from biological routeto save rural society from adverse health effects and to safeguard their life due to lackof knowledge and poverty.

PP: 56. SYNTHESIS AND CHARACTERIZATION OF SCHIFFBASE COMPOUNDS OF ISONICOTINOHYDRAZIDE AND

DERIVATIVES OF BENZALDEHYDE

Neha Mishra* and Ritu Yadav*ð Synthetic Organic Chemistry Laboratory, Department of Chemistry, Dr. Hari

Singh Gour Vishwavidyalaya, Sagar (M.P.) 470003, India.E-mail: [email protected]

Isoniazid is highly biologically active moiety and it use in many drugs and antimicrobialagents. Due to Presence of N=N bond it can easily donate their lone pair to othermolecule and show multiple type of bonding nature. In the synthesis of isonicotino-hydrazide and banzaldehyde derivative complexes The Schiff bases were obtained

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by refluxing equimolar proportions of isoniazid and the various aldehydes in methanolas solvent at 70°C with continuous stirring for 30 min or using microwave irradiationmethods for 3-4 min at 800W. these synthesized compounds are characterized by UV-Visible spectroscopy, FT-IR spectroscopy, 1H NMR and 13C NMR spectra were recordedat 300 MHz and 100 MHz. Synthesized sample were purified by columnchromatography using silica gel (230-400 mesh).

PP: 57. ZR(IV)- CHITOSAN COMPOSITE HYDROGEL FORDEFLUORIDATION OF GROUNDWATER FROM DURG

DISTRICT OF C.G. STATE

Yashu VermaBhilai Institute of Technology, Durg, (C.G.)

The efficiency of composite hydrogel beads (HGB) for the defluoridation ofgroundwater samples was investigated by batch study. After optimizing theexperimental parameters like pH, initial concentration, biomass dosage, effect ofbackground ions, isotherm studies with lab samples on composite material, its efficacywith fluoride contaminated groundwater from various locations of durg district wasanalyzed. Zr-Chitosan composite (HGB) was prepared using NH4OH as crosslinker.A synergistic combination of Cow Dung Ash (CDA) with HGB (HGB-CDA) treated84% of F-(8.2 mg/L) in groundwater at pH 7.0 in 24 hours. More than 85% adsorptionby HGB-CDA was observed in groundwater samples from various blocks & tehsils ofdurg district having F- conc. of (1.8, 2.8, 7.2 & 8.2) mg/L after 24 hrs of contact time.90% desorption of HGB was observed with 5M NaOH after 3 hours of contact time.The results of the study indicated to proceed with column study for enhancing theloading capacity of biomass during adsorption process.



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PP: 58. ALLELOPATHIC EFFECT OF AQUEOUS EXTRACT OFSTEM OF PLANT BAUHINIA VAHLII

Manish Sahu and R. N. YadavaDepartment of Chemistry, Dr. H. S. Gour Vishwavidyalaya, Sagar, 470003, M.P. India

(A Central University)E-mail: [email protected], [email protected]

Bauhinia vahlii belongs to family Leguminosae commonly known as Mahalan orMahul in hindi. Bauhinia vahlii is immense climber shrub distributed throughoutIndia in hilly districts. The seed possesses tonic and aphrodic properties. Leaves aredemulcent and mucilaginous. Bark is useful for skin diseases and pod taken orally asantidiarrhoeal and antidysentery. The present work deals with the allelopathic effectof aqueous extract of stem of Bauhinia vahlii on germination of seed and shootlength of Vigna radiata.

PP: 59. GREEN SYNTHESIS OF 2-HETERYLQUINAZOLIN-4(3H)-ONE DERIVATIVES

B. Srinivasa Reddya*and P. K. Dubeyb

aMahatma Gandhi Institute of Technology, Gandipet, Hyderabad-500 075.bDepartment of Chemistry, Jawaharlal Nehru Technological University Hyderabad

(CEH), Hyderabad, India-500085E-mail: [email protected]

The quinazolinone system forms an important class of N-heterocyclic compounds asit is present in a large number of compounds with useful biologicalproperties.Condensation of 2-(2-chloroacetamido)benzamide (1) independentlywitheach of benz[d]oxazole-2-thiol (2a) and benz[d]thiazole-2-thiol (2b) for 3-4 h gave2-((benz[d]oxazol/thiazol-2-ylthio)methyl)quinazolin-4(3H)-one (3a-b) respectively.Each one of the 3a&3b, independently and selectively, when treated with alkylatingagents (i.e. DMS, DES & PhCH2Cl), resulted in the formation of 2-((benz[d]oxazol-2-ylthio)methyl)-3-alkylquinazolin-4(3H)-one (4a-c) and2-((benz[d]thiazol-2-ylthio)methyl)-3-alkylquinazolin-4(3H)-one(4d-f) respectively. The 4a-f could also

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be prepared, alternatively by condensing chloromethyl-3-alkylquinazolin-4(3H)-one(5a-c) with 2a-b respectively, in good yields. The details of results in the studies willbe presented.

PP: 60. MOLECULAR DESIGNING OF DYES HAVING D-Ð-ACONFIGURATION WITH DIFFERENT ACCEPTOR GROUP

AND STUDYING THEIR LIGHT HARVESTING EFFICIENCY

Anjali Pandey* and Anil MishraDepartment of Chemistry, University of Lucknow, Lucknow 226007, India

Computational method has been adopted to study three 10,11-Dihydro-5H-dibenz[b,f]azepine based dyes were designed, with different acceptor groups to understand theirimpact on light harvesting efficiency and their roles in dye-sensitized solar cells(DSSCs).The computational techniques are used to study the effect of acceptor in ð-conjugated systems on absorption spectra and electron injection of the dyes. Threedyes were studied ie. (E)-3-(4-(10,11-Dihydro-5H-dibenz [b,f]azepine) 1H-imidazol-2-yl)-2-cyanoacrylic acid (Dye 1), (E)-2-(4-(10,11-Dihydro-5H-dibenz[b,f]azepine)-1H-imidazol-2-yl) vinyl)pyridin-1(2H)-yl) acetic acid (Dye 2) , ((E)-5-((4-10,11-Dihydro-5H-dibenz[b,f]azepine)-1H-imidazol-2-yl)methylene)-4-oxo-2-thioxothiazolidine-3-carboxylic acid (Dye 3) with 2-cyanoacrylic acid, pyridin-1(2H)-yl) acetic acid, Methylene-4-oxo-2-thioxothiazolidine-3-carboxylic acid(Rhodanine-3-acetic acid) as the acceptor in DSSCs. In theoretical examination Optical andelectronic properties, UV–Vis absorption spectra, light harvesting efficiency (LHE)have been calculated. All the calculations were done DFT calculation at B3LYP byusing 6-31 G** to evaluate the effects of various acceptor group on the optical andelectronic properties of the dyes in dye-sensitised solar cells. Optical properties werecalculated using the time-dependent DFT calculations with the B3LYP and CAM-B3LYP.



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PP: 61. SYNTHESIS OF BISMUTH MOLYBDATE VIA CO-PRECIPITATION METHOD AT DIFFERENT PH CONDITION

AND EVALUATION OF CATALYTIC ACTIVITY FORDEGRADATION OF METHYLENE BLUE DYE UNDER

VISIBLE LIGHT IRRADIATION

B. Lavakusa1*, K. Basavaiah2 and D.Srinivasarao3

1Department of Chemistry, V.K.R College, Buddhavaram, Gannavaram -521101,A.P., India.

*2Department of Inorganic & Analytical Chemistry, Andhra University,Visakhapatnam - 530003, A.P. India.

3Department of Physics, V.K.R College, Buddhavaram, Gannavaram -521101, A.P.,India.


Synthesis of bismuth molybdate at different pH conditions as 1.5, 3.0, 5.0 has beensuccessfully by co-precipitation method and followed by calcination using mufflefurnace with the stoichiometry ratio of bismuth nitrate penta hydrate [Bi(NO3)3 .5H2O],nitric acid (HNO3), ammonium molybdate tetra hydrate [(NH4)6Mo7 O24 .4H2O] as asprecursor materials. Thesynthesized bismuth molybdate nanoparticles characterizedby X-ray diffraction (XRD) for identifying crystalline phases and particle size, Ramanspectroscopy identifies active species during the reaction, Fourier transform infraredspectroscopy (FTIR) in catalysis is to identify adsorbed species and to study the wayin which these species are chemisorbed at the surface of the catalyst,Thermogravimetric analysis (TGA) for thermal stability of synthesized material, UV-Visible diffuse reflectance spectroscopy (UV-DRS) revealed for band energy ofsemiconductors, Field emission scanning electron microscopy (FE-SEM) is todetermine morphology and shape of supported particles and Energy dispersive X-rayanalysis (EDX) is for elemental analysis of synthesized nanoparticles. The catalyticactivity of synthesized bismuth molybdate (pH 1.5,3.0,5.0) catalyst evaluated usingthe degradation of methylene blue dye from pollutant water under Visible lightirradiation at room temperature.

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PP: 62. FABRICATION OF SILVER SPONGES USING TRITONX-102 AS SACRIFICIAL TEMPLATE AND THEIR

APPLICATIONS

Ankita Nema, Mansi Rai, Mustri Bano and Farid KhanNanomaterials Discovery Laboratory, Department of Chemistry,

Dr. H. S. Gour Central University, SAGAR, IndiaE-mail: [email protected], [email protected]

Nanoporous sponges of Silver with Triton X-102 as reducing agents were reported bymodified Sol-Gel method. Surface morphology of the materials was controlled byencapsulation of Fe and TiO2 nanoparticles. Scanning electron microscopy (SEM),Thermogravimetric analysis(TGA), Fourier Transform Infra –red spectroscopy(FT-IR), Powder X-Ray diffraction(PX-RD) and Brunauer- Emmett –Teller(BET) surfacearea techniques were used for characterization techniques. Possible applications willalso be discussed.

PP: 63. DE NOVO DESIGN OF NNRTIS OF HIV-1: AMOLECULAR DOCKING AND VIRTUAL SCREENING

APPROACH

Urmila Raghuvanshi and Nitin S. SapreDepartment of Applied Chemistry and Chemical Technology, SGSITS, Indore


De Novo design of Nine NNRTIs of HIV-1 showing high predicted anti-viral activityis achieved using Molecular Docking procedures on a set of ATC derivatives. Thedataset of 183 ATC molecules procured from the literature was docked into the crystalstructure of protein (pdb ID: 2VG5) obtained from the Protein Data Bank. Non-linear(Back Propagation Neural Network, Support Vector Machine) and linear (MultipleLinear) chemometric regression methods are used to achieve correlation of dockingdescriptors with the HIV-1 antiviral activity. The relative potential of these methodsare also assessed. BPNN (r2 = 0.885, MSE = 0.196, q2 = 0.863) describes the relationshipbetween the descriptors and antiviral activity in a relatively better manner than SVM-



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å-radial (r2 = 0.844, MSE = 0.144, q2 = 0.807) and MLR (r2 = 0.836, MSE = 0.150, q2

= 0.805). Virtual dataset (VDS) of 1500 compounds has been created. The compoundsof the VDS were screened virtually using previously used docking algorithm. Theextracted Novel NNRTIs of HIV-1 have shown better estimated anti-viral activitycompared to the highest active ligand (pEC50=8.82) of the initial dataset.

Docked Conformation of NNC-1551 (reference ligand of 2VG5) (Red) with some ofthe Best Fit ATC Analogues: Green, Grey, Brown, Blue, White, Violet).

PP: 64. CHLORAMINE-T MEDIATED FACILE ONE POTSYNTHESIS OF PYRAZOLYLTRIAZOLOBENZOTHIAZOLE

HYBRIDS AS POTENT ANTI-INFECTIVE AGENTS

Raj Kamal,* Vipan Kumar and Ravinder KumarDepartment of Chemistry, Kurukshetra University, Kurukshetra,

Haryana (India) – 136119E-mail: [email protected]

An expedient and facile one pot synthesis of 3-(3-aryl-1-phenyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[3,4-b]-1,3-benzothiazole derivatives through in situ oxidativecyclization of corresponding N-heteroarylhydrazone promoted by environmentallybenign chloramines-T trihydrate at room temperature has been accomplished.

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Structures of all hybrids were confirmed by their spectral and elemental data. Allsynthesized pyrazolyltriazolobenzothiazole hybrids were also evaluated for theirantibacterial and anthelmintic potential and were found to be moderate to significantanti-infective agents.

PP: 65. MICROWAVE-ASSISTED SYNTHESIS AND IN VITROANTIPROLIFERATIVE ACTIVITY OF SOME NOVEL 1,2,3-TRIAZOLE BASED PYRAZOLE ALDEHYDES AND THEIR

BENZIMIDAZOLE DERIVATIVES

D Ashok*a, M Ram Reddya and M Sarasijab

aGreen and Medicinal chemistry Laboratory, Department of Chemistry, OsmaniaUniversity, Hyderabad, 500007, Telangana, India

bDepartment of Chemistry, Satavahana University, Karimnagar, 505001,Telangana, India.


A series of new 3-(5-methyl-1-aryl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazole-4-carbaldehydes 4(a-g) and their benzimidazole derivatives 6(a-g) were synthesizedunder both conventional and microwave irradiation methods. However, we successfullyachieved good yields in shorter reaction times under microwave irradiation. All thesynthesized scaffolds were characterized by 1H NMR, 13C NMR, IR and mass spectralanalyses. The synthesized compounds have been evaluated as potential antiproliferativeagents. The antiproliferative activity of the synthesized compounds was studied againsttwo cancer cell lines C6 (nerve cells) and MCF-7 (human breast adenocarcinomacells) and among them, compounds 4g and 6b exhibited highly potent activity againstC6 cell line and 6b and 6c exhibited highly potent activity against MCF-7 cell line.



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PP: 66. SYNTHESIS AND CHARACTERIZATION OF PVA/PEO/IN2S3 POLYMER NANOCOMPOSITE FILMS AND STUDY OF

THEIR OPTICAL, ELECTRICAL AND THERMALPROPERTIES

Uma H B1 and Sannaiah Ananda*Department of Studies in Chemistry, Manasagangotri, University of Mysore, Mysore


Polymer nanocomposite films consisting of poly vinyl alcohol (PVA) and poly ethyleneoxide (PEO) blend matrix dispersed with nano size particles of Indium sulphide (In2S3)have been prepared by well known solution casting method. The structural, opticaland thermal studies were performed using X-ray diffraction (XRD), Fourier transforminfrared (FT-IR), Ultra violet- visible spectra(UV-Vis), Scanning electron microscope(SEM) and Thermogravimetric analysis (TGA). The structural properties of polymernanocomposite films characterized by XRD measurements confirms the semi-crystalline structures of these materials. The IR absorption spectra indicate that thePVA/PEO undoped blend and doped with In2S3 are immiscible. The XRD data showedthat the incorporation of nano In2S3 into the polymeric system causes decrease in thecrystallinity of samples. The thermal stability and mechanical strength of the blendedsamples increased with increase in In2S3 when compared to pure PVA/PEO blendfilms. The SEM analysis indicate that the change of the surface morphology of PVA/PEO/In2S3 nanoparticle system as phase segregation.

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PP: 67. SYNTHESIS OF TRIARYLIMIDAZOPYRIDINECARBONITRILES AND THEIR BIOLOGICAL EVALUATION

Sonakshi Sasan, Annah Gupta and Kamal K. KapoorDepartment of Chemistry, University of Jammu, Jammu-180 006, INDIA.


Imidazo[1,2-a]pyridines possess a variety of biological activities such as antiulcer,antibacterial, antipyretic, antiviral, anti-inflammatory and anticancer and also serveas an integral core of various clinical drugs. In view of huge significance of this scaffold,several synthetic methods have been developed for their synthesis. Our efforts towardsthe synthesis of imidazo[1,2-a]pyridines will be presented.

PP: 68. FACILE SYNTHESIS OF STYRYLQUINOXALINONESVIA POLYMER SUPPORTED METAL CATALYST

Rajneesh Paul Sharma, Lalita Devi and Kamal K. Kapoor*Department of Chemistry, University of Jammu -180006, J&K, India


Quinoxalines including styrylquinoxalinones possess various biological activities suchas anti-bacterial, anti-tubercular, anti-leishmanial, anti-malarial, antitumor etc. Methodsreported for the synthesis of styrylquinoxalinones are cumbersome and involves hightemperature and long reaction time. In this poster our efforts towards the practicalsynthesis of styrylquinoxalinones will be presented.

PP: 69. MAGNETIC NANOPARTICLES WITH POTENTIALFOR DUAL-MODALITY THERAPY OF CANCER

Sona Gandhia and Indrajit Roy*a

a Department of Chemistry, University of Delhi, Delhi-110007

Multi-modal nanoparticles are known to enhance the efficiency of cancer treatment.In our work, we have synthesized cobalt ferrite nanoparticles which can be used for



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both photo-induced and magnetic field -induced hyperthermia therapy (dual modality).The particles were well characterized for size and morphology using transmissionelectron microscopy (TEM), field emission scanning electron microscopy (FESEM),and dynamic light scattering (DLS). The crystalline nature was established using X-Ray Diffraction (XRD), and the magnetic nature was assessed using a vibrating samplemagnetometer (VSM). The nanoparticles were also characterized using elementalanalysis and Fourier transform infrared (FTIR) spectroscopy. The nanoparticles inaqueous dispersion showed an appreciable increase in temperature when exposed toan external magnetic field. The nanoparticles also showed a photo-induced increasein temperature when irradiated with a laser of 630nm. The combined effect will produceenough heat for localized killing of cancer cells and tissue. The nanoparticles can betargeted to cancer sites using external magnetic field guidance. Since both thesetherapies can be triggered from a single nanoprobe, their dosage and non-specifictoxicity would be drastically reduced.

PP: 70. MESOPOROUS IRON GALLATE NANOCOMPLEXFOR ADSORPTION AND DEGRADATION OF ORGANIC DYES

Anita Yadav, Anu Sharma and Rakesh Kumar Sharma* Department of Chemistry, University of Delhi, India


The stability and porous nature of a nanocomplex are of importance for the practicalutility like in adsorption or catalytic activities. Mesoporous Iron gallate (Fe-Ga)nanocomplex was fabricated by means of effective, simple, convenient and rapidsolvothermal method using triethylamine as a deprotonating agent for the organiclinkers. These nanocomplexes were then utilized as a catalyst for rapid degradation ofcationic (Toluidine Blue (TB)) and anionic (Rose Bengal (RB)) dyes in water withoutemploying any auxiliary oxidants like Hydrogen Peroxide (H2O2), Sodium Borohydride(NaBH4) etc. Analysis of the nanocomplex using various techniques like Powder XRD,N2 (Nitrogen) adsorption/desorption, UV-vis spectroscopy and electron microscopyrevealed mesoporous (pore size = 2.72 nm) structure with high surface surface area of90.48 m2g-1, uniform sizes of around 15-20 nm and outstanding absorption anddegradation properties. The nanocomplex adsorbed, decolorized and decomposed both

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the dyes within 10 min. Due to the negative zeta potential (14.6 ± 3.5) the particlespreferably adsorb and degrade cationic dye (TB) because of the presence of positivelycharged amine groups. Furthermore, the catalyst is stable and reusable. The probablemechanism for the degradation has been proposed through advanced oxidation process.Such material releases reactive oxygen species (ROS) such as hydroxyl radicals andprimarily responsible for the degradation of dyes at enhanced rate. Such advancementcan be extended to other nanocomplexes to efficiently enhance their catalytic activitiesand hence may be envisaged as a method for removal of dyes for detoxification ofwaste water.

PP: 71. SYNTHESIS AND NON-COVALENT INTERACTIONSOF FUNCTIONALIZED CALIX[4]PYRROLE WITH

CHLORINATED PESTICIDES

Poojaa, Rakesh Kumar Sharmaa* and Pratibha Kumarib*aDepartment of Chemistry, University of Delhi, Delhi, – 110007, India

bDeshbandhu College, Department of Chemistry, University of Delhi, Delhi-110019 , IndiaE-mail: [email protected],

[email protected],[email protected]

Octamethylcalix[4]pyrrole which is commonly known as calix[4]pyrrole (CP), belongsto the class of tetrapyrrolic macrocyclic molecules. It was synthesized for the firsttime by Baeyer in 1886. Its synthetic procedure also affords its isomer, N-confusedoctamethylcalix[4]pyrrole (NCP), containing an inverted pyrrole ring. CP offers acup-shaped skeleton, in which four pyrrole rings are ideally pre-organized for bindingof anions and neutral substrates. The binding occurs through hydrogen bonding betweenthe anion/neutral compound and the pyrrolic H atoms. The selectivity and bindingaffinity of CP can be improved by introducing different functionalizations in CP andNCP .Herein, we report the synthesis of CP and NCP by the condensation reaction ofpyrrole with acetone catalyzed by methanesulfonic acid in methanol, followed bytheir separation by a newer approach based on their solubility difference. Azo-functionalized CP and NCP derivatives, Azo-1 and Azo-2, respectively, weresynthesized by diazotization with 4-aminophenol and were characterized by HRMS,IR, 1H NMR, 13C NMR, COSY, and HETCOR. Further, non-covalent interactions of



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CP, NCP, Azo-1 and Azo-2 with chlorinated pesticides were investigated by UV-visiblespectroscopy and NMR titration method. Their binding affinity along with the solventeffect on the non-covalent interactions has been examined by different spectroscopictechniques.

PP: 72. IDENTIFICATION OF NSC 18725, A PYRAZOLEDERIVATIVE VIA PHENOTYPIC SCREENING AS THE

INTRACELLULAR MYCOBACTERIUM TUBERCULOSISINHIBITOR BY INDUCTION OF AUTOPHAGY

Gagandeep1, Garima Arora2, Assirbad Behura3, Tannu Priya Gosain2, Ravi PShaliwal2, Saqib Kidwai2, Padam Singh2, ShamseerKulangara Kandi1, Rohan

Dhiman3, Ramandeep Singh2 and Diwan S Rawat1*

1Department of Chemistry, University of Delhi, New Delhi.2Tuberculosis Research Laboratory, Translational Health Science and Technology

Institute, NCR Biotech Science Cluster, Faridabad, Haryana-121001, India.3Laboratory of Mycobacterial Immunology, Department of Life Science, National

Institute of Technology, Rourkela, Odisha, India.

Tuberculosis (TB) is a major public health threat and the main reason for infectiousdisease related death.1 According to WHO report, there were 1.6 million deaths and10 million cases of TB were reported in 2017.2 Even the availability of effective anti-tuberculosis drugs,3 the continuously increasing multi-drug resistant TB incidentsintensify the demand of novel drug molecules.4,5 In the present study, a high-throughputphenotypic screening led to the identification of a new lead molecule NSC 18725, apyrazole derivative having excellent antimycobacterial activity (MIC99 = 0.3125 μM).Further, a complete SAR study and mechanistic investigation are also reported.

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PP: 73. WELFSA: AGRO-WASTE CATALYZED SYNTHESIS OF3-METHYL-4-(HETERO) ARYL METHYLENE ISOXAZOLE-

5(4H)-ONES

Santosh Y. Khatavi and K. Kantharaju*Department of Chemistry, Peptide and Medicinal Chemistry Research Laboratory,

Rani Channamma University, Belagavi, P-B, NH-4-591156, Karnataka.E-mail: [email protected]

The isoxazole scaffold is a privileged structure of many pharmaceutical drugsattracting much in the area of medicinal chemistry. It has a wide rangeof pharmacological significance such as anti-inflammatry,antibacterial, anticonvulsants, antituberculosis, antiviral, anticancer and more. Thereis more number of literature report on the synthesis of 4-aryl-3-methyl-5(4H)-one derivatives such as pyridine, sodium silicate, sodium azide, PEG-400, Potassiumphthalimide, choline chloride and urea based deep eutectic solvent.Moreover, some of these methods were carried out at high temperature with longreaction time, use expensive catalyst, volatile toxic solvents. To overcome some ofthese limitations, present work demonstrated the synthesis of 3-methyl-4(hetero)-arylmethylene isoxazole-5(4H)-ones in one-pot three component reaction of aldehyde,Ethylacetoacetate, Hydroxylamine hydrochloride, in presence of agro-waste derivedWELFSA (Water Extract of Lemon Fruit Shell Ash) and glycerol on a oil bath stirringafford chromatographically pure product. The completion of the reaction was monitoredby TLC, after completion of the reaction, mixture was triturated with ice-cold water,the separated solid was filtered, recrystallized with ethanol and characterized by FT-IR, 1H-, 13C-NMR and mass spectrometry.



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PP: 74. MICROWAVE ACCELERATED SUSTAINABLEAPPROACH FOR THE SYNTHESIS OF 2-AMINO-4H-

CHROMENES CATALYSED BY WEPPA: A GREEN STRATEGY

Kantharaju Kamanna*and Prashant B HiremathDepartment of Chemistry, Peptide and Medicinal Chemistry Research Laboratory,

Rani Channamma University, P-B, NH-4, Belagavi-591156, Karnataka. India.E-mail: [email protected]

“Multi component reacstions” (MCRs) have emerged as an excellent tool in organicchemistry for the synthesis of various bioactive molecules and diverse complexionwith metal chelation. Among these, one-pot MCRs, in which organic reactants aremade to react together in a single-step process, which is becoming an alternativeplatform for many organic chemists, because of their simple operation, reducingpurification methods, side product and time. One of the interesting three componentMCRs is the condensation of substituted aromatic aldehyde, malononitrile andresorcinol in presence of a suitable catalyst produces 2-amino-4H-chromenederivatives. The 2-amino-4H-chromene derivatives are promising biologically potentheterocyclic compounds, which have attracted in the research fields, due to theirmedicinal applications such as antimicrobial, anti-inflammatory, antibacterial,antiviral,anticancer,antidiuretic, anticoagulant and anti-anaphylastic activities. The present workdescribes microwave accelerated, efficient, eco-friendly and economic approachsynthesis of 2-amino-4H-chromenes through condensation of substituted arylaldehyde,malononitrile and resorcinol/naphthol catalyzed water extract of pomegranate peelash (WEPPA) without use of the external base. The reaction completed within 3-6min with good to excellent yield product isolation. The final product isolated bysimple filtration and recrystallization gave spectroscopically pure form of the productand not required further purification.

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PP: 75. REMOVAL OF THE ACETAMINOPHEN FROM WATERBY OXIDATION PROCESSES: A COMPUTATIONAL AND

KINETIC APPROACH

Madhu Gupta#, Dr. Amrita Srivastava*# and Dr. Sheila Srivastava ##

#Department of Chemistry University of Lucknow, Lucknow, Uttar Pradesh, India## Chemical Laboratories Feroze Gandhi College, Raebareli, Uttar Pradesh, India


Acetaminophen, a widely used drug, has been constituted in many sewage treatmentplant effluents, rivers and lake waters, and has been proclaimed to demonstrate adverseimpacts on fishes and other aquatic animals. Removal of this drug by using catalyticprocess in alkaline medium at 303 K and at constant ionic strength of 0.60 moldm”3

were studied iodometrically and spectrophotometrically. All quantum chemicalcalculations performed by density functional theory (DFT) with B3LYP/6-31G (d,p)basis atomic set for vindicating structure, reaction and mechanism. Quantum chemicalapproach is implemented as theoretical aspects of experimental data. The active speciesof reactants have been identified.

PP: 76. CO(III) CATALYZED C¯C BOND FORMATION AND[2+2+2] ANNULATION OF 1,3-DICARBONYLS TO TERMINAL

ALKYNES

Girijesh Kumar Verma and Diwan S. Rawat*Department of Chemistry, University of Delhi, Delhi-110007, India


In recent years, Co(III) catalyst [Cp*CoI2(CO)], emerged as a robust, highly efficientand cheap catalyst for the construction of C¯C bonds by direct/chelation-assistedfunctionalization of C¯H bonds. It was generally accepted fact that enolate anionsdo not undergo addition to un-activated alkynes and it has been a challenge to makethe enolate anions reactive towards un-activated alkynes. Nakamura et al. successfullyovercome this problem using In(III) salts at high temperature. Encouraged by the



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seminal work of Nakamura, several groups reported this reaction in the presence ofRe, Ir, Ru, Au etc. To this end, we herein report for the first time a Co(III) catalyzedaddition of acetylacetone with un-activated 1-alkynes at room temperature undersolvent free condition, assisted by Cu(OTf)2. In some cases, reaction of 1,3-diketoneshaving substitution at active methylene carbon with electron donating grouptetrahydronaphthalene and terphenyl were formed.

PP: 77. EVOLVING NOVEL CHEMICAL ENTITIES FORPROTACS-AN EMERGING THERAPEUTIC TECHNIQUE FOR

DEGRADATION AND REMOVAL OF DISEASE-CAUSINGPROTEINS

Venkata Ganesh A., Rhushikesh D., Saikat S. and *Ravindra V. SinghR&D and Custom Synthesis, Merck Life science, Plot#12, Bommasandra-Jigini

Link Road, Bangalore 560100, India.E-mail: [email protected], [email protected]

PROTACs represent an emerging technique that is receiving much attention fortherapeutic strategy nowadays due to several advantages. Proteolysis targeting chimeras(PROTACs) are bifunctional/bispecific molecules containing a target protein binderand a ubiquitin ligase binder connected by a linker. By recruiting a ubiquitin ligase toa target protein, PROTACs promote ubiquitination and proteasomal degradation ofthe target protein. Merck recently has introduced a series of Novel Chemical Entities(Partial PROTACs) which are a collection of linkers with a pendant functional groupin one side for covalent linkage to a target protein and ligase ligand conjugates on theother side. The end-customer are purchasing these Partial PROTACs compounds andlinking with the ligands to get the PROTAC for further study. As the generation of

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effective PROTACs depends on the nature of the protein /ligase ligand pair, linkagesite, linker length, and linker composition, all of which have been included in thisseries in a systematic way and the products are increasing day by day. A brief summaryon Novel Chemical Entities(Partial PROTACs) will be discussed/exhibited in thisposter presentation.

Protein degradation mediated by proteolysis targeting chimeras (PROTACs)

PP: 78. NOVEL FUSED THIOPHENE BASED CONJUGATEDAROMATIC BUILDING BLOCKS FOR ORGANIC SOLAR

CELL APPLICATIONS

Gururaj M. Shivashimpi*, Davinder Prasad and Ravindra V. Singh*R&D & Custom Synthesis, Merck Life Science, Plot #12, Bommasandra-Jigani link

road, Bangalore. 560100. India.E-mail: [email protected], [email protected]

The urge to search for clean and safe energy resources due to growing demand ofenergy and its limited supply from non-renewable fossil fuels along with their harmfulimpacts has emerged the new promising technology of generating electricity by



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harnessing solar radiations. Despite the significant development, the high cost of siliconphotovoltaics has remained a limiting factor for the implementation at a larger scale.Interestingly, polymer based organic solar cells have emerged as new technology,constituting new area known as Organic photovoltaics (OPV). The mechanism ofthese devices is based on light induced charge transfer from donor-type conjugatedpolymers to acceptor-type conjugated polymers. The fused aromatic/heteroaromaticmonomers and building blocks forming the backbones for donor or acceptor polymersin OPVs, provide enforced rigidity and co-planarity leading to lowering molecularenergy and facilitating charge transfer. We have synthesized many such challengingalkyl thiophene, bis-thiophene and thienothiophene based building blocks, non-fullerene acceptors as OPV materials. Here in this poster we will discuss the chemistrychallenges, concepts and commercial prospective of these novel molecules.

Figure 1. Structures of OPV materials and non-fullerene acceptors for organic solar cells.

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PP: 79. LEWIS ACID-CATALYZED REGIOSELECTIVE C-3ARYLATION OF INDOLES WITH P-QUINOLS

Neha Dua and Rama Krishna Peddinti*Department of Chemistry, Indian Institute of Technology, Roorkee, Roorkee-247667,

Uttrakhand, IndiaE-mail: [email protected]

It is no-brainer that indole acts as an enamine towards electron-deficient species andfavors for the Michael addition towards á,â-unsaturated ketones and aldehydes.Traditionally, the combination of two moieties, results in the synthesis of hybridscaffolds that individually show the biological activity of both coupling partners. Withthis aim, we studied the formation of meta-substituted phenols which is traditionallychallenging to functionalize. The work presents the Lewis acid catalysed C-3 arylationof indoles with p-quinols is presented. This protocol further leads the way to haveascendable, forthright access to phenol-assimilated heterocycles which have powerfulapplications both in synthetic and medicinal chemistry.

PP: 80. DESIGN OF ZWITTERIONIC POLYMER TO INHIBITINSULIN AGGREGATION

Mansi Sagar1 and Kazuaki Matsumura2

1Kirori Mal College, University of Delhi, Delhi-110007, India.2School of Materials Science, Japan Advanced Institute of Science and Technology, Japan.


Protein aggregation leads to many ailments such as Alzheimer’s disease, Parkinson’sDisease etc. Recently, polysulphobetaine (PSPB), a zwitterionic polymer reported toinhibit aggregation of lysozyme and insulin. We synthesized PSPB via reversibleaddition fragmentation chain transfer (RAFT) polymerization using hydrophobic raftagent (2-(Dodecylthiocarbonothioylthio)-2-methylpropanoic acid) and hydrophilic raftagent (3-((((1-carboxyethyl) thio) carbothioyl) thio) propanoic acid). These polymerswere synthesized by changing the degree of polymerization as well i.e. DpP-20 andDP-200. The polymers were successfully synthesized and then characterized using



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H1-NMR and C13-NMR. In this study, we used insulin which was obtained from humanbovine serum. Protein inhibition was checked using Thioflavin T and UV-Visspectroscopy. So far, Poly-SPB DP-20 (1% and 2% w/v) with hydrophobic raft agentexhibit inhibition in protein aggregation.

PP: 81. FOOD PACKAGING MATERIALS AS A THREATIMPACT ON HUMAN HEALTH

Renu SaraswatDepartment of Chemistry, Meerut college, Meerut

Food packaging materials may contaminate the food due to the migration of someundesirable chemicals from FPM to the food stuff and lead to significant health threats.Any interaction between FPM and food is considered to be highly undesirable.Commonly used FPMs metal, plastic ,paper and glass may release poisonous chemicalsinto the food . Extent of contamination of food by these FPMs depends on theconstitution and nature of food as well as of packaging materials .The paper aims todiscuss the harmful effects of the chemicals migrating into the food from FPMs.

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PP: 82. SOLAR LIGHT DEGRADATION OF METHYLENEBLUE DYE WITH SURFACE MODIFICATION OF ZNO BY

CARBONACEOUS MATERIAL

Sonu Kumar*, R. D. Kaushik and L. P. PurohitDepartment of Chemistry, Gurukula Kangri Vishwavidyalaya, Haridwar,

Uttrakhand, India*E-mail: [email protected]

Semiconductor as photocatalyst suffer from a lack of separation ofphotogenerated electron- hole pair due to the fast recombination. Here we study thesynthesis, characterization and application of Zinc oxide-Reduced Graphene oxide(ZnO-rGO) nanocomposites with different weight percentage of reduced grapheneoxide (1 %, 3 %, 5 % and 8 %). ZnO-rGO nanocomposites with enhanced photocatalyticactivity towards the photodegradation of methylene blue dye in aqueous solution havebeen synthesized via a facile and simple solution route followed under refluxingcondition. The effect of reduced graphene oxide on dye adsorption as well asphotodegradation was explored. The photocatalyst with 5 wt % ZnO-rGOnanocomposites exhibits high photocatalytic activity in comparison to pristine ZnOnanoparticles as well as other ZnO-rGO nanocomposites. The enhancement inphotodegradation of MB dye with 5 wt % ZnO-rGO nanocomposite photocatalystwas attributed to the fact it had an optimum amount of rGO for adsorption of dye onthe surface of rGO as well as effective separation of charge carriers for themineralization of MB dye. The increased amount of rGO causes more oxygen defectson the surface of the photocatalyst which causes reduced activity by the shieldingeffect phenomenon.



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PP: 83. 3D QSAR STUDIES ON CATIONIC AMPHIPHILICINDOLE DERIVATIVES FOR ANTIMYCOBACTERIAL

ACTIVITY

Aparna Bahuguna,1 Prasad V. Bharatam,*2 Diwan S. Rawat*1

1Department of Chemistry, University of Delhi, Delhi-110007, India2Department of Medicinal Chemistry, National Institute of Pharmaceutical

Education and Research (NIPER), Sector-67, S.A.S. Nagar (Mohali)-160 062, Punjab, India


Persistent infections prolong treatment duration and also enhance the chances ofresistance development against antibiotics. Recently a class of amphiphilic indolederivatives was discovered exhibiting bactericidal activity against both growing andnon-growing Mycobacterium bovis BCG (M. bovis BCG). These antibacterials aresuggested to disturb the integrity and functioning of cell membrane, a property thatcan help eradicate persistent organisms. This research article describes field-based3D quantitative structure-activity relationship (3D-QSAR) studies of 79 amphiphilicindole derivatives. The aim of this QSAR study is to optimize this class of compoundsfor the development of more potent antimycobacterial agents. The results obtainedindicate that steric interactions are crucial for antimycobacterial activity while hydrogenbond donor groups participate negligibly in activity. The derived 3D-QSAR modelsshowed acceptable R2 (0.91) and Q2 (0.91) with an RMSE of 0.08. The models werecross-validated using leave-one-out (LOO) method. Applying the same QSAR modelto another congeneric series of amphiphilic indoles externally validated the QSARmodel. The model could appreciably predict the activity (pMIC50) of this congenericseries of amphiphilic indoles, with an RMSE of 0.49 indicating the robustness ofmodel and its efficiency in predicting the potentially active compounds. New moleculeswith the potential of showing better antimycobacterial activity were designed andbiologically evaluated.

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PP: 84. SYNTHESIS, CHARACTERIZATION AND PHOTO-PHYSICAL PROPERTIES OF EUROPIUM(III) AND

TERBIUM(III) COMPLEXES WITH THIOSEMICARBAZONES

Ananya Vishwakarma and O. P. PandeyDepartment of Chemistry, DDU Gorakhpur University, Gorakhpur-273009


Europium(III) and Terbium(III) complexes of type [Eu(L)Cl(H2O)2] and[Tb(L)OAc(H2O)2] (H2L=thiosemicarbazone ligands derived from substitutedthiosemicarbazide and benzil/diacetyl) were prepared. The ligands and synthesizedcomplexes were characterized on the basis of elemental analysis, FT-IR and1H-NMR,13C-NMR and X-ray diffraction studies. Photo-physical properties such as excitationspectra, emission spectra and luminescence curves of the complexes wereinvestigated.The most intense peak of Eu3+ ion found at 618 nm attributed to 5D0’!7F2transitionand peak of Tb3+ ion at 549 nm attributed to 5D4 ’!

7F5transition. Thecomplexes may act as possible light conversion molecular devices (LCMDs).

PP: 85. EFFECT OF ELECTROLYTIC CONCENTRATION ONVISCOSITY OF ETHANOL-WATER MIXED SOLVENT

SYSTEM AT 288 K

Anis Ahmed Sheikh, Ummul Khair Asema, Prashant D. Netankar andMohamad Asif

Department of Chemistry, Maulana Azad College of Arts, Science and Commerce,Aurangabad-431001 (MS)

In this research paper we have determined the viscosity of 5%, 10%, 20% and 40%Ethanol-Water mixture (v/v) by flow time method. The data obtained are tabulated.From this data we have determined the viscosity of 2%, 4%,6%, 8% and 10% solutionof NaCl- Ethanol-Water mixture (w/v).The obtained data was further used fordetermination of relative viscosity of these electrolytic mixture with absolute viscosityof ethanol-water mixture at 288 K. The obtained data indicate effect of sodium chlorideelectrolyte on viscosity of ethanol-water mixed solvent system. The data also helped



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the effect of solute-solvent interaction on viscosity. The obtained data indicate that asthe concentration of sodium chloride increases in ethanol-water mixed solvent systemthe viscosity also increases it is due solute-solvent interaction.

PP: 86. ANTI-INFLAMMATORY ACTIVITY OF A NEWFLAVONE GLYCOSIDE FROM THE STEMS OF

HOLMSKIOLDIASANGUINEA RETZ

Jyotsna Raghuvansi and R. N. YadavaDepartment Of Chemistry, Dr. H. S. Gour Vishwavidyalaya, Sagar, 470003 , M.P. India

(A Central University)E-mail: [email protected], [email protected]

A new flavone glycoside (1) was isolated from ethanolic extract of stem parts ofHolmskioldiasanguinea Retz.. Its structure was characterized as 3, 4¹-dihydroxy-5,7-dimethoxyflavone-3-O-â-D-galactopyranosyl(1’!4)-O-â-D-arabinopyranosyl-4¹-O-á-L-rhamnopyranoside by colour reactions, chemical degradation and spectroscopicanalysis. It has m.f. C34H42O19, m.p. 266-267°C, [M+] m/z 754. Anti-inflammatoryactivity of compound (1) was evaluated showing a significant effects.

PP: 87. SOLVENT EFFECT OF AQUO-ETHANOL SOLVENTSYSTEMS ON THE INSECT REPELLING POTENTIAL OF

PHTHALATES

Vikash Kumar LalResearch Scholar, Dept. of Chemistry, V. K. S. University, Ara


Solvent effect of ethanol on the insect repelling potential of phthalate was highlightedby studying the kinetics of alkali catalysed hydrolysis of diethyl phthalate in aquo-ethanol reaction media having concentration from 20 to 80% of ethanol (v/v) at fivedifferent temperatures ranging from 20 to 40°C. For depletion observed in the rate ofreaction with increasing concentration of Ethanol in the reaction media probably twocauses, the dielectric effect and the effect of solvation changes are found responsible.Simultaneous enhancement in all the three activation thermodynamic parameters

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namely ?H*, ?G* and ?S* give sound proof of the fact that alkali catalysed hydrolysisof Diethyl phthalate in aquo-Ethanol media is enthalpy dominating and entropycontrolled reaction. The Iso-kinetic temperature of the reaction is evaluated to be330.0 and from this, it is inferred that there is strong Solvent-solute interaction inaquo-e thanol reaction media.

PP: 88. SYNTHESIS AND PHOTOELECTRIC STUDY OFTERNARY CHALCOGENIDE

Archana Singh1, Harish K. Dubey2 and Maheshwar Sharon3

1Department of Chemistry, B. K. Birla College (Autonomous), Kalyan, M.S., India2Department of Physics, B. K. Birla College (Autonomous), Kalyan, M.S., India

3Walchand Centre of Research in Nanotechnology & Bio-Nanotechnology, Solapur, M.S., India

SbSeI, a ternary Chalcogenide was synthesized by Solid State Thermal Reactiontechnique at 6000C for 4 hours by taking stoichiometric ratio of constituent elementsin an evacuated quartz tube. The compound was obtained in the form of bunch of greyshiny crystals indicating their orthorhombic structure. It was characterized by SEM,EDS, XRD etc techniques. Photoelectric trait of the compound was studied in thevisible region. It is evident that the compound has more absorption for green light(520 to 560 nm). Resistance Vs Temperature profile studied on two probe setup showsboth metallic and semiconducting nature of the compound.

PP: 89. NOVAL METHOD DEVELOPMENT ANDSPECTROPHOTOMETRIC DETERMINATION OF BIAPENEM

IN BULK AND INJECTION FORMULATIONS BY COBALTTHIO CYANATE

Dr Aruna Kumari Nakkella and Prof. K. RaghuBabuCollege of Engineering, Dr B R Ambedkar University, Etcherla, Srikakulam


A simple and cost effective spectrophotometric method was described for thedetermination of Biapenem in pure form and in pharmaceutical formulations. Themethod is based on the formation of colored chromogen when the drug reacts with



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Cobalt thio cyanate in presence of a buffer prepared by mixing potassium chloridesolution (0.2M) and HCl (0.2M) having pH 2.0 and nitrobenzene. This method wasapplied for the determination of drug contents in pharmaceutical formulations andenabled the determination of the selected drug in microgram quantities (0.5 to 3.0mL). No interferences were observed from excipients and the validity of the methodwas tested against reference method. The colored species has an absorption maximumat 725 nm for Biapenem and obeys beer’s law in the concentration range 5 – 30 μg/mL of Biapenem. The apparent molar absorptivity was 53x10-3 and sandell’s sensitivitywas 7x10-3. The slope is 0.067 ± 0.0034, the intercept of the equation of the regressionline is 0.0288±0.0124. The optimum experimental parameters for the reaction havebeen studied and the validity of the described procedure was assessed. Statisticalanalysis of the results has been carried out revealing high accuracy and good precision.The proposed method was successfully applied for the determination of Biapenem inpharmaceutical formulations.

PP: 90. CHEMISTRY OF MIXED LIGAND COMPLEXES OF NI(II) METAL CHELATES OF ORGANIC ACIDS WITH

ETHYLENE DIAMINE

Asha Kumari* and H. P. Yadav**

*Department of Chemistry, Patna Science College, Patna University.**Department of Chemistry, R. N. College, B.R.A.B.U., Muzaffarpur.

Ethylene diamine is a important bidentate legand. It forms more stable five memberedring with Nickel (II) metal ion. Nickel compounds were used as medicine in ancienttimes. Nickel bromide has been used as an antiseptic drug and a nickel sulphate insevere diarrhoea. Research were carried out on the toxicity of nickel and it was foundto be a very toxic element. The use of NI salts as drugs were therefore abandoned. Ourbody contains many trace elements such as nickel, zinc, arsenic, manganese, chromiumetc. Nickel is present in blood, human hair and nails. NI has been measured quantitavelyin liver, blood, hair, wings and heart. Nickel carbonyl is most poisonous becauseinside the body it disintegrates into NI and CO. We have synthesised and characterisedseveral mixed ligand complexes of NI (II) metal chelates of some organic acids withethylenediamine having the general formula ML2L1. Where M = NI (II),

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L=deprotonated ortho-nitrophenol, 2, 4 - Dinitrophenol, 2, 4, 6 - Trinitrophenol, 1 -Nitroso -2- Naphthol, 8-hydroxyquinoline, orthoaminobenzoic acid, L1=ethylenediamine. The structure of these complexes havebeen confirmed by analyticaldata, molar conductivities, infrared and UV-visible spectral data. Significantaly lowvalues of molar conductivities of the mixed ligand complexes indicate they havecovalent nature. The IR data also suggest that the coordination of NI(II) metal throughthe Nitrogen atom of - NH2 group of ethylenediamine.

PP: 91. PREPARATION OF NEW MODIFIED ADSORBENTFROM SPENT TEA LEAVES AND IT’S USE FOR EFFECTIVE

REMOVAL OF WATER CONTAMINANTS FROM THEIRAQUEOUS SOLUTION

Kaman Singh*, Ayushi Mishra and Ashok KumarDepartment of Chemistry, Babasaheb Bhimrao Ambedkar University

(A Central University),Lucknow-226025,Uttar Pradesh, INDIAE-mail: [email protected]*, [email protected],

[email protected]

The objective of the present work is to evaluate the analytical potential of a modifiedadsorbent prepared from spent tea leaves for effective removal of water contaminantsfrom their aqueous solutions. Modified TiO2-ACTW was synthesized using activatedcarbon tea waste (ACTW) and titanium dioxide by chemical method. The new modifiedadsorbent was analysed using scanning electron microscope (SEM), Fourier-transforminfrared spectroscopy (FTIR), elemental dispersion spectroscopy (EDS) and X-raypowder diffraction (XRD) measurements provide the surface morphology, chemicalchanges and crystalline nature respectively. The Brunauer-Emmett-Teller (BET)confirms the typical specific surface area (SBET) of ACTW was SBET = 9.16 m2g-1whereasfor modified TiO2-ACTW as SBET = 17.14 m2g-1.These obtained physicochemicalparameters of modified TiO2-ACTW revealed that it could be used as a potentialadsorbent. Furthermore, the effect of various parameters such as pH, ionic strength,the effect of dose for adsorbent and adsorbate, contact time and temperature onadsorption will be investigated.



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PP: 92. STUDIES ON SOME COMPLEXES OF THIADIAZOLEDERIVATIVES WITH CU & AG

Puja Kumari, 1 Chandan Kumar Choudhary2and Ratan Kumar Choudhary3

1Research Scholar, L. N. Mithila University, Darbhanga, Bihar – 8460082Department of Chemistry, R. N. College, Pandaul, Madhubani, Bihar.

3Research Scholar, University Department of Chemistry, L. N. Mithila University,Darbhanga – 846008


A number of heterocyclic compounds such as imidazole, isothiazole, thiazol,oxazole, pyrazole, pyrazine, quinoxaline, triazole, benz-thiazole as well as manypoly heterocyclic compounds are constituents of important physiologicalsubstances and biologically active organic compounds. The simplest poly-heterocyclic compound certaining N and S as donor atoms in the formation of co-ordination complex are thiazoles. In this communication some complexes ofCopper and Silver with 2, 5-Dimercapto- 1,3,4-thiadiazole has been prepared andcharacterized with the help of elemental analysis, ir, u.v., magnetic behaviour etc.The ligand was prepared by known method. The complexes with Copper andSilver were prepared of the type ,

, (Where 2,5-Dimercapto-1,3,4 thiadiazole = LH2). On the basis of elemental analysis, magneticmoment values, i.r., u.v. spectral studies it was inferred that two copper atoms ineach complex are present in oxidation state +1 and remaining are in oxidationstate +2. Ag(I) complexes are diamagnetic and do not display electronic reflectanceband in visible region. The ligand is bonded as bidentate molecule only and onethioamide group is free in these complexes.

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PP: 93. STUDY ON GROWTH OF GROUNDNUT PLANT ASINFLUENCED BY THE USE OF PHOSPHATIC AND POTASSIC

CHEMICAL FERTILIZER

Binita Kumari, Shalini Birendra Kumar and M.K. SrivastavaP.G. Department of Chemistry Gaya College, Gaya

E-mail:[email protected]

A field expirement was performed in sandy loam typic chromustert soil with increasingdoes of Phosphorous with Potassium applied to groundnut as a test crop. Groundnutcrop responded significantly to the application of phosphorous @30 and 60 kg P2O5ha-1 applied through single super phosphate significantly enhanced the dry matteryield at 50 DAS and flowering stages over control. Similarly artificial supplementationof Potassium @ 10 and 20 kg K2O ha-1 in the form of muriate potash remarkably andlinearly affected the dry matter yield at 50 DAS and flowering stages over no treatment.Increasing does of phosphorous application significantly enhanced the N, P, K, Ca,Mg uptake at 50 DAS and flowering stages. Similarly, progressive trends in uptake ofabove plant nutrients were observed with the addition of increasing weights ofpottasium. Higher levels of application contributed additional increment in promotingthe uptake as compared to lower levels and control in both the growth stages. Interactionbetween P and K was found to be positively affected in increasing dry matter yieldand N, Ca and S uptake in both the stages.



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PP: 94. REDUCTIVE TRANSFORMATION OF CE (IV) BYAROMATIC ALCOHOLS IN PARTIAL NON- AQUEOUS

MEDIUM-COMPARATIVE STUDY

B. K. DangarhProfessor of Chemistry. Govt. P. G. College, Neemuch-458441, India


The kinetics of reduction of Ce(IV) by aromatics alcohols like benzyl alcohol and 2-methoxybenzyl alcohol to the Ce(III) have been studied spectrophotometrically atëmax=400nm. The reactions was studied at different concentration of substrate. Firstorder kinetics observed with respect to [substrate], [oxidant] and [H+]. The effect oftemperature and solvent composition were studied and the activation parameters havebeen calculated. Based on the experimental results, a probable reaction mechanismwas proposed.

PP: 95. A NOVEL, GREEN AND EFFICIENT IN-SITUSURFACTANT AGGREGATE MICROEXTRACTION FOR THE

PRECONCENTRATION OF PHARMACEUTICALS INWASTEWATER

Dr. A. Vijaya Bhaskar Reddy*,1,2 and Dr. G. Madhavi1

1 Department of Chemistry, Sri Venkateswara University, Tirupati 517502, India2 Centre of Research in Ionic Liquids, UniversitiTeknologi Petronas, Perak 32610,

MalaysiaE-mail: [email protected],[email protected]

A simple, efficient and relatively new sample enrichment technique i.e., in-situsurfactant aggregate microextraction was proposed for the extraction of differentpharmaceuticals from industrial wastewaters. The analytes preconcentration was carriedout by forming an aggregate phase in-situ in the aqueous sample through ion-associationbetween oppositely charged surfactants namely cetyltrimethylammonium bromide anddisodium 4,5-dihydroxy-1,3-benzenedisulfonate. The analytes present in suspendedaggregate were then entrapped on to the filter paper and dissolved into 2.0 mL of

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methanol for further analysis. The analyte recoveries were determined using capillaryelectrophoresis and they were found between 74.6%-96.3%, which is quite satisfactory.

PP: 96. DEVELOPING RAPID ANALYSIS OF PESTICIDEUSING MICROFLUIDIC PAPER-BASED ANALYTICAL

DEVICES APPROACH (ìPAD)

Dr Kamesh Viswanathan Baskaran1

1Dr KC Patel Research & Development Centre, Charotar University of Science andTechnology (Charusat), Changa, Gujarat


Pesticide usage in India is common due to vector control and agricultural practices.The effect of pesticide risk is very high to human and leads to various health disorders.Current scenario of quantification of pesticide carried out by High performance liquidchromatography, Gas chromatography mass spectrometry and liquid chromatographymass spectrometry coupled with chemical extraction process for food samples. Thisprocess is time consuming and need high end equipments to perform. In order toreplace these instruments, our prototype study will be discussed with developing lowcost paper microfluidic for detecting the pesticide (Dichlorvos) in food samples. Thepaper is coated with hydrophobic polymers on the surface of the paper for smoothflow of the liquids. Coating polymers on the paper was adapted by soaking method.Then 3d printed microfluidic deign at 5cm X 5cm was embossed on the coated paperand sealing the other end with glass substrate. In this way the chip will be made readyfor chemical reaction. The chemical reaction for quantifying pesticide were carriedout by TiO2 as photocatalytic ligand and selected chromophore as quantification. Thepresent study was carried out with UV-Visible spectrophotometer in 500 μL and foundthe limit of detection at sub-ppm level for water samples without chromophore. Basedon the study, the compatibility chromophore is under process for incorporating intomicrofluidic devices for quantification.



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PP: 97. SPECTRAL STUDIES OF CO(II) AND NI(II)COMPLEXES OF 4-{(3-FLUORO-4-

METHOXYBENZYLIDIENE) AMINO}-5-METHYL-3-THIOL-1,2,4-TRIAZOLE

Kiran Singh* and PreetiDepartment of Chemistry, Kurukshetra University Kurukshetra 136119, India

A series of 1:1 and 1:2 metal complexes of Co(II) and Ni(II) with newly synthesisedSchiff base named 4-((3-fluoro-4-methoxybenzylidiene) amino)-5-methyl-3-thiol-1,2,4-triazole have been prepared and characterised. Schiff base is formed by thereaction of 3-fluoro-4-methoxybenzaldehyde and 4-amino-3-mercapto-5-methyl-1,2, 4-triazole. After the synthesis of Schiff base, it has been characterised by IR andNMR techniques. Metal complexes are also characterised by IR, Electronic andFluorescence. Elemental analysis, magnetic measurements and thermogravimetricanalysis of metal complexes have also been carried out. With the help of abovementioned techniques tentative octahederal geometry for the newly synthesisedcomplexes have been proposed.

PP: 98. STUDY OF MICRO NUTRIENTS IN DRIED MAHUAFLOWER FOR NUTRITIONAL POTENTIAL

Dr. M. K. Ahirwar and Dr. G. S. GuptaDepartment of Physical Sciences, Faculty of Science and Environment,Mahatma Gandhi ChitrakootGramodaya, Vishwavidhalaya Chitrakoot,

485334, M.P., IndiaE-mail: [email protected], [email protected]

Mahua flower (Madhucalongifolia) are generally and mostly found in tribal nature ofMadhya Pradesh, Chhattisgarh, Jharkhand, Andhra Pradesh, Maharashtra and otherstate of India. Dry Mahua flower exist in reddish color and highly moisture absorbingedible product. Mahua flower mostly produce in the Shahdol district at aroundJaisinghnagar block. Wet Mahua flower was collected during March-April, 2019 fromvillage Sarwari and left 3- 4 days for drying. In view of energy demand, population

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explosion and environmental issues the dried clean flower may be facultive energysource of masses. The flowers are edible and highly rich source of sucrose, vitamins,minerals and micronutrients. The necessary micronutrients Ca, Mg, Fe, Co, Mn, Cuand Zn were analyzed with the help of inductive coupled plasma-Optical emissionspectrometry (ICP-OES). Dried Mahua flower contained 1315.8 ppm calcium. DriedMahua flower have brown-yellow color and also contained 1412.3ppm ironconcentration. All the analysis was carried out as per Indian Council of MedicalResearch (MICR, 2009).

P99. SO2 INITIATED POLYMERIZATION OF ACRYLAMIDEAND STUDIES ON HYDROGELS BASED ON RESULTING

POLYACRYLAMIDE

Reena Bhadani1*, U. K. Mitra2and S. K. Sen Gupta2

1* Department of Chemistry, Ranchi Women’s College, Ranchi-834001,Jharkhand, India

2 Department of Chemistry, Gossner College, Ranchi – 834001, Jharkhand, IndiaE-mail: [email protected]; Mobile No. 9470564663

The polymerization of AM was carried out under the different concentration ofacrylamide and cross linkers in an aqueous solution of SO2 gas as initiator at 500c.The resulting polyacrylamide was saponified with NaOH solution. The hydrolysedpolymers show high degree of water swelling (>500) than that of unhydrolysedpolymers (<50). Swellability of the gel decreases with the increasing concentration ofN, N’- methylene bisacrylamide – a cross linker which enhances the degree of crosslinking in the polymer chains. The increased cross linking restrict the expansion ofpolymer network which causes the lowering of the water absorbency. It was observedthat polymer hydration increases with the molar mass of polyacrylamide. Theswellability of polyacrylamide hydrogels is greatly lowered by the addition of ionicsalts in the swelling medium. Both ionic strength and valency of the salts are responsibleto decrease the water up taking capacity of the gels which remain unaffected by nondessociating nature of Urea. The hydrogels, so prepared, are stable and quite able toundergo swelling- deswelling cycles suggesting their reversible characters. Resultsare similar to those obtained for polyacrylamide formed during the course of NO2

initiation in H2O.



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PP: 100. SYNTHESES AND ANTIMICROBIAL STUDIES OF 8-FLUORO-2,5-DIHYDRO-2,4-(SUBSTITUTED DIARYL)-1,5-

BENZOTHIAZEPINES

Seema Pant*Department of Chemistry, Lal Bahadur Shastri Government P.G, College,

Kotputli-303108E-mail: [email protected]

Chalkones and their derivatives have attracted increasing attention due to numerouspharmaceutical applications. With the hypothesis that the reaction products of suchpharmacologically active compounds with substituted benzenethiols may result incompounds with enhanced useful medicinal properties, a series of novel 8-fluoro-2,5-dihydro-2,4-(substituted diaryl)-1,5-benzothiazepines were prepared by the reactionof five differently substituted á, â-unsaturated diarylketones with 5-fluoro-2-aminobenzenethiol. The structures of the synthesized compounds were confirmed bytheir IR, 1H NMR, and mass spectral analyses. All the synthesized compounds weretested for their antimicrobial activity against gram-positive bacteria Staphylococcusaureus and gram-negative bacteria Pseudomonas aeruginosa, and two fungi Candidaalbicans and Aspergillus niger. Most of the compounds showed moderate antibacterialactivity but exhibited good antifungal activity.

PP: 101. ANTIBACTERIAL ACTIVITYOF DI -M-TOLUIDINEPHOSPHATE

Pragya AwadhiyaAssociate Professor, Rungta Collge of Engineering &Technogy, Raipur (C.G.).


Di-m-toluidinephosphate has been synthesized by the reaction of m-toluidine, withphosphorylating agent POCl3 and characterized by elemental and IR spectral analysis.Resistance in some pathogenic bacterial strains to conventional antibiotics has initiatedto search for effective treatments against microorganisms. In this context antibacterialactivity of synthesized phosphate ester has been tested by determining the zone of

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inhibition of bacterial growth. The isolation of bacteria and their characterization bydifferent methods have been carried out. Different concentrations of phosphate esterin DMSO were applied to examine their antibacterial activity against coccus gram+ve and gram –ve bacteria by paper disc diffusion method. Zone of inhibition wasobserved and measured in mm. The study reveals that phosphate ester is highly effectiveagainst coccus gram –ve bacteria as compared to gram +ve bacteria.

PP: 102. KINETIC AND MECHANISM OF ADSORPTION OF ZN(II) IONS ON AL2O3 POWDER

Vivekanand Choudhary and Shri Niwash SinghDepartment of Chemistry, H D Jain College, VKSU, Ara 802101


The removal of Zn (II) ions by adsorption process using Al2o3 powder was investigatedin this study. Al2O3 powder obtained from LobaChemiPvt. Ltd Mumbai were used asadsorbents to study their adsorptive capacities on the removal of Zn (II) ions. Theeffect of agitation time (10 to120min), adsorbent dose (0.5 to 2.0g), initial concentration(0.04 to 0.10moll-1), temperature (298-313K), PH (3.5 to 8) were investigated. Theexperiments show that the removal of Zn (II) ions depends on to the PH, the initialconcentration, temperature and the mass of adsorbents. The adsorptions capacityincrease with an increase in solution temperature from 298 to 313K. Thermodynamicstudies revealed that the adsorption of Zn (II) ions was endothermic and spontaneouswith good affinity towards the adsorbent. The experiment data fitted to Freundlichadsorption isotherm. Adsorption process found to follow second order kinetic model.The adsorption is optimum at adsorbent dose of 2g, at 0.04moll-1, for 120 minutecontact time, at PH 8. physical adsorption processes controlle the Zn (II) ions uptakeon Al2O3 powder.



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PP: 103. ROLE OF COPPER (Cu) IN HUMAN BODY

Prof. P. N. PiyushDepartment of Chemistry, B. N. M. V. College, Sahugarh, Madhepura

(Bihar)-852113E-mail: [email protected]

Copper plays an important role in our metabolism, largely because it allows manycritical enzymes to function properly. Copper is essential for maintaining the strengthof the skin, blood vessels, epithelial and connective tissue throughout the body. Cuplays a role in the production of hemoglobin, myelin, melanin and it also keeps thyroidgland functioning normally. Copper can act as both an antioxidant and a pro-oxidant.Free radicals occur naturally in the body and can damage cell walls, interact withgenetic material, and contribute to the development of a number of health problemsand diseases. As an antioxidant, Cu scavenges or neutralize free radicals and mayreduce or help prevent some of the damage they cause. When copper acts as a pro-oxidant at times, it promotes free radical damage and may contribute to the developmentof Alzheimer’s disease. Maintaining the proper dietary balance of Cu, along withother minerals such as zinc and manganese, is important. Proper absorption andmetabolism of copper requires an appropriate balance with the minerals zinc andmanganese. Because zinc can compete with copper in the small intestine and interferewith its absorption, persons who supplement with inappropriately high levels of zincand lower levels of copper may increase their risk of copper deficiency.

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PP: 104. SYNTHESIS, CHARACTERIZATION ANDBIOLOGICAL ACTIVITIES OF SOME THIENOPYRIMIDINE

ANALOGUES

Himanshu D. PatelDr. Apj Abdul Kalam Govt. College, Silvassa-Dokmardi-396230,

U.T. Of Dadra & Nagar Haveli (India)E-mail: [email protected]

The paper contains the synthesis of some thieno[2,3-d]pyrimidine analogues from 2-amino thiophene derivative. The synthesized compounds were elucidated by IR, NMRspectroscopy and also by elemental analyses. All the synthesized compounds werescreened for their biological activity against gram (+)ve and gram (-)ve bacteria andalso on different strains of fungi. Some of them showed promising activity.

PP: 105. KEY ROLE OF ZN++ IN CELLULAR METABOLISM

Khalid Mustafa (L-7832) and Ramakant Pandey(L-13030) University of Tabuk K.S.A.& Patna.

Atomic number of Zn is 30and recognized as –d- bloc element, also recognized asmicronutrient, trace element or bio catalytical element. Zn++ ions were supplementedin the solid form of ZnSO4 7H2O. The presence of Zn++ ion estimated in plants was 3-350 ppm. These amounts were supplied to the plants by the weathering of ores andminerals existing in soil. The small amount of Zn++ ions were involved in thebiosynthesis of growth regulating hormone (IAA) Indol acetic acid. Aforesaid hormoneswere observed as activator of many enzymes like Carbolic Anhydrages and Alcoholicdehydrogenages. Zn++ ions were traced specially in protein metabolism. Deficiency ofZn++ ions were observed in the form of chlorosis necrosis, stunted growth, pre-maturefalling of leaf and suppression of seed formation. Little leaf, mottle leaf and shorteningof internodes were observed in family Solanaceae.



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PP: 106. REMOVAL OF PB (II) IONS ON SILICON(IV) OXIDEPOWDER

Madhuri Kumari and Vivekanand Choudhary*

Department of Chemistry, H D Jain College, V K S University, AraE-mail: [email protected], [email protected]

Due to high adsorption capacities, low cost effectiveness, easily availability and eco-friendly nature. The adsorbent has been used for heavy metal removal. Previouslyvarious classical but popular approaches such as precipitation, evaporation,electroplating, ion exchange, etc. have been done for the adsorption and removal ofheavy metal ions from aqueous solution and waste water. Spectrophotometer wasused for the determination of metal ions in concentration aqueous solutions beforeand after adsorption. Silica is a very porous, high tech material having very highspecific area. Silicon (IV) oxide adsorbent exhibits very high adsorption potential forPb (II) ions and more than a 80% removal was achieved in the pH range 2.7 to 8.3. Inthe present piece of work the removal of Pb (II) ions from aqueous solution on silicon(IV) oxide powder has been investigated through batch experiment. The Pb (II) ionsadsorption was found to be dependent on adsorbent dose and adsorbate concentration,temperature, contact time and pH of solution. The kinetics of the adsorption processfollows first order rate law and found to be physical in nature.

PP: 107. AN OVERVIEW OF ANTACIDS: THEIRPHARMACOLOGY AND THERAPEUTIC USES

Nupur ChatterjiAssociate Professor, Department of Chemistry, Meerut College, Meerut

Antacids have been used since last more than hundred years for the symptomatic reliefby raising the pH of the stomach and without hampering the gastric condition of thebody namely killing of bacteria. Sodium bicarbonate, aluminium hydroxide, magnesiumhydroxide besides ranitidine and the prazole group react with the HCl present in thestomach and have become the ready choice of physicians to treat all kinds of gastricdisorders .This study sheds a light on the pharmacokinetics of various antacids,theiradvantages ,disadvantages and the chemical conditions they help to subside.

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PP: 108. DI-TRYPTOPHAN BASED FASCINATINGNANOARCHITECTURES FOR BIONANOTECHNOLOGICAL

APPLICATIONS: GOLD NANOPARTICLE (AUNP)-EMBEDDED PEPTIDE NANOBANGLES

Ramesh Singh and Dr. Khashti Ballabh JoshiDepartment of Chemistry, School of Chemical Science and Technology, Dr.

HarisinghGour Central University, Sagar, MP, 470003, IndiaE-mail: [email protected]

Development of fascinating nano-architecture having multifunctional properties ishighly depended on the strategically designed peptide conjugates. Here we arehighlighting our recent work where C3 symmetric biotinylated ditryptophan peptideconjugates were employed for creation of beautiful beautifulnanotorus structures whichwere modulate into other interesting nanostructures using well known biotin–avidininteraction. The triskleion peptide is equipped by biotin group linked withphotosensitive di-tryptophan with spatially controlled flexibility which helps to createsphoto responsive nanostructures which were precisely ornamented by goldnanoparticles to produce AuNPs embedded Nanobangles. Such intelligent andfascinating nanomaterials can be used for several bio-nanotechnological applications.

PP: 109. REMOVAL OF PB(II) FROM INDUSTRIALEFFLUENTS USING NEW CHEMICALLY MODIFIED

ADSORBENTS

Ritu Gupta* and C. L. Gehlot1

*Department of Chemistry, Harcourt Butler Technical University KanpurE-mail: [email protected]

Present investigation focused on jack fruits leaves(Artocarpusheterophyllus), whichact as a novel adsorbent, is naturally, ecofriendly in nature and cost effective agrowaste adsorbent for the removal of Pb(II) from industrial effluents like lather industries,sewage etc.In present investigation, removal of Pb(II) from industrial effluents usingnew chemically modified adsorbent has been studied. Varying parameters like initial



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Pb (II) ion concentration, pH (4-6), and exposure time (180 min) were studied.Adsorbent dosages were affected in Pb (II) adsorption study. The chemically modifiedadsorbents were also pointed out by its morphological and characterizations by Fouriertransform infrared spectroscopy (FT-IR), Scanning electron microscopy (SEM) etc.and also studied the kinetic equilibrium. Adsorption isotherms including Freundlichand Langmuir have been applied to study the equilibrium of the adsorption behaviourand identify the adsorption capacity of the chemically modified adsorbents.

PP: 110. ELECTROCHEMICAL STUDIES BASED ON TIN (IV)ANTIMONOPHOSPHATENANO-COMPOSITE MEMBRANEINCORPORATING 1-DODECYL-3-METHYLIMIDAZOLIUM

BROMIDE IONIC LIQUID

Sandeep KaushalDepartment of Chemistry, Sri Guru Granth Sahib World University,

Fatehgarh Sahib, Punjab, India.

In this investigation, solution casting technique was employed for fabrication ofpolyvinyl chloride (PVC) based cation exchange nano-composite membranes usingtin (IV) antimonophosphate as cation exchanger. Ionic liquid (IL), 1-dodecyl-3-methylimidazolium bromide, [C12mim] [Br], was used as a filler additive, which hasbeen found to affect the properties of the composite membrane. The fabricatedmembranes were characterized by various analytical techniques like FESEM, HRTEM,and XRD. From X-ray diffraction (XRD), it has been observed that membrane (M-3)has higher crystallinity than other membranes. The nano-composite membranes arecomposed of interconnecting networks of near spherical to hexagonal nano-particlesof 30–40 nm with nanophase separations at the surface, specifically in the case of M-3. An increase in the concentration of the IL in the casting solution led to a decrease inwater content of the membrane and ion exchange capacity (IEC). The electrochemicalproperties viz. membrane potential, transport number, permselectivity and fixed chargedensity have been found to be higher for monovalent metal ions as compared to thatof bivalent metal ions. The membrane M-3 has shown the best results among theinvestigated membranes.

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PP: 111. NEWLY SYNTHESIZED AND CHARACTERIZEDBINUCLEAR TRANSITION METAL COMPLEXES WITH A

PENTADENTATE AZODYE LIGAND

Ashish Kumar SarangiDepartment of Chemistry, Sukanti Degree College, Subarnapur, Odisha, India.


The synthesized azodye ligand of DHAPACB and its transition metal complexes havebeen characterized by analytical and spectral techniques such as FTIR studies, NMRstudies, Thermal studies, ESR studies, XRD (Powder) studies, ESI-MS studies, SEMstudies and EDX studies for projecting the structure of the compounds. The theoreticalstudies such as DFT, Molecular Docking and QSR studies are also helping to understandthe structure and interaction of compound with some important proteins. Frommicrobial study an interesting results was obtained against gram positive and gramnegative bacteria.

PP: 112. SPECTROPHOTOMETRIC DETERMINATION OFMERCURY IN PRESENCE OF SILVER NANOPARTICLES IN

ENVIRONMENTAL SAMPLES

Shilpa SharmaRungta College of Engineering and Technology, Near nandanvan, Raipur,

Chhattisgarh, IndiaE-mail: [email protected]

The use of silver nanoparticles in the spectrophotometric determination of mercury inenvironmental sample is described. The method is based on the formation of violetcoloredHgII-(TX-100)-(EBT) complex in presence of silver nanoparticles in alkaline(NH3) medium. The violet coloredHgII-(TX-100)-(EBT) complex shows maximumabsorbance at 620 nm with molar absorptivity 8.8×104 l mol-1cm-1 and the systemobeys Beer’s law up to 2.0 μg Hg(II) ml−1. The sensitivity of the method is increasedwith the addition of silver nanoparticle. Here, Ag nanoparticles have served as efficientelectron relay for the HgII-(TX-100)-(EBT) complex. The detection limit of the method



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is 6 ng ml-1 in the aqueous phase. The relative standard deviation for 10 replicatemeasurements of Hg (II) at a level of 10 ìg ml-1 is 2.1-2.7%. The method has beensuccessfully applied to the determination of Hg (II) in environmental samples.

PP: 113. SYNTHESIS OF PORPHYRIN AND SOME OF ITSDERIVATIVES VIA SIMPLE AND EFFICIENT ROUTE

Shreya MathelaDepartment of Chemistry, School of Basic Science & Research

Sharda University, Greater Noida 201306, IndiaE-mail: [email protected]

Porphyrins are large ð-aromatic systems that can form complex with numerous metalions. Porphyrins, especially those with functional groups have a ability to participatein chemical reactions which lead to the formation of large number of valuable products.Metallopophyrinswith ruthenium, iron, zinc, manganese, among other metals,constitute the family of catalysts which are efficient to mediate C-H oxidations withhigh selectivity and good yields. In recent years, synthesis and study of porphyrinsystems has gained special attention due to their unique physical, chemical andspectroscopic properties making them interesting materials for use in molecularelectronic devices and catalysis. In addition, porphyrin compounds can be effective assensitizing agent for diagnosis and photodynamic therapy (PDT) of cancers that hasachieved great interest as an effective alternate for chemotherapy owing to their non-invasive nature. The importance of metalloporphyrin-catalysed oxidation reactions inbiology and their potential as industrial catalysts have led to a considerable volume ofwork in these reactions. The properties of such catalysts are tuned by attaching differentsubstituents to the macro cycle. Such catalysts are then successfully used for selectiveoxidation reactions of various organic substrates by peracids and hydroperoxides.Theunique optical properties of porphyrins make them likely candidates for photovoltaicdevices, sensors and other optical devices. Main objective of my work was to synthesisesome porphyrin derivatives via simple and efficient routes. After their synthesis, theirapplicability as selective catalyst was evaluated. The structures of products wereconfirmed by spectral methods. The zinc inserted porphyrin complex which was

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prepared could act as a catalyst in selectively oxidizing several alkenes/ alkanes. Furtherwork is needed to ascertain whether more such catalysts using other metal ions can beprepared. The project work was carried out under the supervision of Dr ArunavaAgarwala, Department of Chemistry, Manipal University.

PP: 114. INDOLE BASED MOLECULES A NEW GATE WAY TOINHIBIT STAPHYLOCOCCUS AUREUS SORTASE A

Soujanya Kaki*1and D. Ramachandran2

1 Department of Chemistry, CMR College of Engineering & Technology(Autonomous), Hyderabad, Telangana,

2 Department of Chemistry, Acharya Nagarjuna University, Guntur A.PE-mail: [email protected]

Over a few decades, antimicrobial resistance (AMR) has been posing a prodigiousthreat to the effective treatment of an ever-increasing range of infections caused bybacteria, viruses, and what not. AMR already showing its impact on patients thusresults in prolonged illness and increased mortality. The magnitude and impact of theproblem in aspects like societal, environmental and Mostly economical are still largelyunknown. For example, the US alone spends $21 to $34 billion per year on the healthsector. Added fuel to the fire, Staphylococcus aureus is posing an imminent threat. Asa result, Computational docking models were developed with in house database consistsof 1500 Indole based molecules and tested for both in-vitro and in-silico. Zone ofinhibition from Disc diffusion assay and Minimum inhibitory concentration of thesecompounds were ranging from 24-15 at 10 ìg/mL and 7.83-21.5 ìg/mL. Out of all,(Z)-5-fluoro-3-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)indolin-2 one(Molecule A) has promising IC50 of 1.53 ± 0.16 ìM followed by 2-((1H-indol-3-yl)methylene)cyclohexane-1,3-dione with IC50 of 1.95 ± 0.28 ìM. Remainingmolecules has IC50 activity between 1.95-35.22 ìM. Along with other studies,molecular dynamic simulations (MDS) were also performed to confirm the perpetuityof the molecule in the binding cavity and its effect on protein stability. Results from insilico and in vitro studies depicts that these newly synthesized molecules show a gateway to future drug discovery pipeline.



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PP: 115. MOLECULAR DOCKING ANALYSIS OFSESQUITERPENES AS HIV-1 ENTRY INHIBITORS

TARGETING GP41 POCKET

Swapna Gurrapu1 and Estari Mamidala2

1,2 Infectious Diseases Research Lab, Department of Zoology, Kakatiya University,Warangal-506009, Telangana State, India


Gp41 and its conserved hydrophobic groove on the NHR region is one of the attractivetargets in the design of HIV-1 entry inhibitory agents. This hydrophobic pocket is verycritical for the progression of HIV and host cell fusion. Our molecular docking haveidentified one such herbal molecule sesquiterpenes that may bind HIV-1 Entry InhibitorsTargeting gp41 with high affinity to cause non-competitive inhibition. Results arealso compared with other US FDA approved drugs. Docking study suggest that theligand cyclozonarone has high binding energy (-9.48) compare to other sesquiterpenesligands -9.43, -9.26, -8.54, -9.28, -7.46, -7.29, -8.13, -8.61, -7.28, -7.29 respectivelyand ligand sesquiterpenes has strong binding interactions with GLN, ASN amino acids,all of which belong to one or the other catalytic pockets of HIV-1gp 41. It is expectedthat these binding energy and binding interaction could be critical in the inhibitoryactivity of the HIV-1 gp41. Therefore, this study provides an evidence for considerationof cyclozonarone as a valuable natural molecule in the treatment and prevention ofHIV- 1 Entry Inhibitors targeting gp41.

PP: 116. GC-MS ANALYSIS OF STELLARIA MEDIA L.(VILL.)CHICKWEED CHLOROFORM EXTRACT

Pooja Chak, Meenu Devi and Dr. Jaya DwivediBanasthali Vidyapith, Rajasthan


Phytochemical composition of n-butanol fraction of stellaria media (Chickweed) wascarried out using Gas chromatography Mass Spectrometric (GC-MS) analysis. Theair dried plant material were powdered and weighed hundred gram of plant powder

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was extracted in 90% methanol using in cold maceration and concentrated in a rotaryevaporator and selective partioning of using solvents of increasing polarity namely, n-hexane, chloroform, ethyl acetate and n-butanol to obtain four different fraction. Eachof the fractions was further subjected to gas chromatography–mass spectrometry.Results of the study revealed the presence of diverse range of bioactive moieties. Thus,identification of different biologically active compounds in the extracts of plant materialwarrants further biological and pharmacological studies.

PP: 117. A NOVEL STUDY ON THE REACTIVITY OF AMINOAND METHYL GROUPS IN 3-AMINO-2-METHYL-3,4-

DIHYDRO-4-OXOQUINAZOLINE TOWARDSCONDENSATION WITH ALDEHYDES

Dr. Mukesh Kumar and Dr. M. K. Srivastava**P. G. Department of Chemistry, Gaya College, Gaya

Research Scholar, Gaya College, GayaE-mail: [email protected]

3-amino-2-methyl-3,4-dihydro-4-oxoquinazoline was prepared by modified Klosa’smethod and was to condense with various aliphatic and aromatic aldehydesin two stages(scheme 1-3). The first molecule of aldehyde reacted with the N-3 amino group and thesecond molecule reacted with the methyl group at C-2. On hydrolysis the benzylidenegroup at N-3 gets hydrolysed leaving behind the styrul groups at C-2. This preferentialreactivity of the two functional groups at N-3 and C-2 positions was investigated.

PP: 118. ADSORPTION STUDY OF HUMIC ACID COATEDMAGNETIC NANOPARTICLES FOR DRUG

Arti Jangra and Ramesh KumaraDepartment of Chemistry, Kurukshetra University, Kurukshetra (Haryana), India


During the last decade, the synthesis and surface modification of magnetic nanoparticlesand their applications have attracted the attention of scientists. These modifiednanoparticles have been reported showing various important applications in biomedical



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and environmental fields. In the present work, humic acid (HA) coated iron oxidenanoparticles have been synthesized by co-precipitation method and consequentlycharacterized using various techniques such as fourier transformer infraredspectroscopy and field emission scanning electron microscopy. The surfacemodification of these nanoparticles is confirmed by FTIR. Further, these surfacemodified nanoparticles have been used for the adsorption of drug from solution.

PP: 119. SYNTHESIS, SPECTRAL, DNA BINDING AND CLEAVAGEPROPERTIES OF RUTHENIUM(II) BENZIMIDAZOLE

COMPLEXES CONTAINING PPH3 AS CO-LIGANDS

Snehlata Katheria*and Ashok Kumar SinghDepartment of Chemistry, University of Lucknow,Lucknow-226007


Ruthenium (II) benzimidazole Complexes Containing PPh3 as Co-Ligands weresynthesized and characterized by 1H, 13C and 31P-NMR, UV–Vis, IR and massspectroscopy. The DNA binding of the ruthenium(II)complexes was investigated byUV–Vis absorption spectroscopy. The experiments revealed that all the compoundscould bind to DNA through electrostatic interactions and the intrinsic binding constants(Kb) were estimated under sets of experimental conditions in the range of (1.13–2.55)×104 mol-1 dm3.In addition, the DNA cleavage properties for all ruthenium (II)complexes were tested.

PP: 120. Effect of Agar Addition on Thermal, Tensile, WaterAbsorption and Biodegradability of Corn Starch Composites

Kapil Gulati1 and Sanjiv Arora1,*

1Department of Chemistry, Kurukshetra University, Kurukshetra-136119, India*E-mail: [email protected]

Starch based films plasticized with sorbitol and citric acid as cross linking agent weresynthesized by solvent casting method with varying concentration of agar. The filmswere characterized in terms of thermogravimetric analysis (TGA) and tensile testing.The increasing of agar enhanced the thermal stability of the composites. At an optimum

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level of agar, film showed the maximum tensile strength (17.84 ± 0.23) MPa. Themaximum percentage of weight loss (53.58 ± 7.25) under soil degradability test wasobtained in starch composite modified by the 20 % addition of agar. The presence ofagar also caused the more extended structure of composites, leading to an overallhigher hydrophilicity.

PP: 121. SYNTHESIS AND BIOLOGICAL EVALUATION OFARYLTHIAZOLYLHYDRAZONO-1,2,3-TRIAZOLE

CONTAINING BENZENESULFONAMIDES AS HUMANCARBONIC ANHYDRASE I, II, IX AND XII INHIBITORS

Amit Kumar and Pawan K. Sharma*Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana-136119

Carbonic anhydrases (CAs) are pervasive class of metalloenzymes which efficientlycatalyze the CO2 hydration and dehydration reaction. The á- class of CA comprises ofsixteen isoforms. hCA IX and XII are tumor associated isoforms which regulates thetumor cell pH. Therefore specifically targeting these isoforms is considered to be animportant tool in the treatment of tumors. Inspired by the scope of sulfonamide basedheterocyclic inhibitors of hCA IX and XII, we envisaged to synthesize a series ofArylthiazolylhydrazono-1,2,3-triazole containing benzenesulfonamides. Allcompounds have been synthesized, characterized by analysis of spectral data and areunder CA inhibition evaluation process.

PP:122. CHARACTERIZATION AND BIOLOGICALEVALUATION OF SOME COMPLEXES OF 1, 3-DIKETONE

Shivadhar Sharma and Punam Verma Department of Chemistry Magadh University, Bodh Gaya#

The heterocyclic, Pyrazole based 1,3-diketone has been prepared by the condensationof pyrazol-1-acetylchloride and sodiumacetophenone. The newly synthesized ?-diketone has been used for complexation with Mn(II), Fe(II) and Co(II) metal ions.The comparision of FTIR spectra of complexes with that of free ligand revealed thecoordination of the ligand from its enolic form. The magnetic moment and electronic



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spectra led to the distorted octahedral (D4h) symmetry of the complexes, which wasalso confirmed by their TGA graph. The complexes as well as the ligand were screenedagainst bacteria Staphylococcus aureus and Escherichia Coli and against fungi,Aspergillus niger and Candida Albans and were fund active.

PP: 123. SYTHESIS, CHARACTERIZATION ANDANTIMICROBIAL PROPERTIES OF SOME DIVALENT

COMPLEXES

Vijay Kumar1, Veena Kumari2, Pramila Sharma3 and Gopal Kumar4

1P.G. Dept. Of Chemistry, R.N. College, Hajipur2Research Scholar P.G. Dept. Of Chemistry, M.U. Bodh-Gaya

3Department of Chemisry, Ganga Devi Mahila College, Patna,4Research Scholar, R.N. College, Hajipur

Complexes of Substituted Quinazolone with Some divalent transition metal cationsof composition [MLnXm] have been synthesized, Where M=Co(II) ,Ni(II),Cu(II) andZn(II) ;L= 3-amino-2-methyl-4-(Phenlhydrazone) quanazolone monoanion; X=CH3COO- or H2O : n= 1 or 2; m= 1 or 2. These complexes are characterised by Physicochemical and spectroscopic data. The ligand as well as complexes were treated fortheir antimicrobial activities against bacteria.Metal complexes have been found toshow an appreciable increase in their antimicrobial activities incomparision to ligand.

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PP: 124. (DIMETHYLTIN (IV) DERIVATIVE OF INDOLE-3-ACETOHYDROXAMIC ACID AS POTENTIAL ORGANOTIN (IV)

DRUG COMPOUND: SYNTHESIS, SPECTROSCOPICCHARACTERIZATION, X-RAY DIFFRACTION, DNA BINDING,

ANTIMICROBIAL, ANTIOXIDANT AND CYTOTOXICITY STUDIES

Vineet Kumar Choudhary and Neeraj SharmaDepartment of Chemistry, Himachal Pradesh University, Summer Hill,

Shimla-5, IndiaE-mail: [email protected], [email protected]

Literature abounds with applications of organotin(IV) compounds in health care andsubstantial attempts have been continuously made to design and synthesize newcomplexes with significant bio-ligands. Keeping in view their biological applications,a new di-organotin(IV) complex of composition [Me2SnCl((C8H6N)CH2CONHO)]has been synthesized by the reaction of Me2SnCl2 with potassium indole-3-acetohydroxamate [(C8H6N)CH2CONHOK] in predetermined 1:1 molar ratio in MeOH+ THF and characterized by analytical and spectroscopic techniques (IR, 1H, 13C and119Sn NMR and mass spectrometry). The (O, O coordination) through carbonyl andhydroxamic oxygen atoms has been inferred from spectral studies. The single crystalX-ray crystallographic data has shown trigonal bipyramidal geometry around tin withmethyl groups in the trigonal plane and crystallized as orthorhombic system. Theelectrochemical and thermal behavior of complex has been studied by cyclicvoltammetric and thermogravimetric (TGA, DTG, DTA) techniques respectively. Thethermodynamic and kinetic parameters have been calculated from TGA data. The ct-DNA binding study by UV-vis absorption spectroscopy has shown ð-ð stackinginteractions with DNA base pairs involving intercalative mode. The in vitroantimicrobial activity assay against pathogenic gram -ve bacteria viz. Salmonella typhi,Escherichia coli; gram +ve bacteria Bacillus cereus and Staphylococcus aureus andfungi Fusarium Sambucinum and Rhizoctona Solani by MIC method; the antioxidantpotential by DPPH free radical scavenging method; the in vitro cytotoxicity on humanmuscle rhabdomyosarcoma (RD) by MTT method have shown remarkable potencyof complex as probable organotin(IV) drug compound.



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PP: 125. THERMAL STUDY OF POLY (VINYL ALCOHOL)FILMS REINFORCED WITH BUDDHA COCONUT LEAF FIBER

Vinod Kumar1 and Sohan Lal1,*

1Department of Chemistry, Kurukshetra University, Kurukshetra-136119, India*E-mail: [email protected]

Poly (vinyl alcohol) (PVA) films reinforced with Buddha Coconut leaf fiber (BC) aresynthesized by solvent casting method. The effect of fiber addition on differentproperties of the films is studied. The films obtained areanalyzed by thermogravimetricanalysis (TGA) using different kinetic models such as Coats-Redfern, Broido andHorowitz-Metzger to calculate the kinetic parameters of thermal decomposition.

PP: 126. ANODIC SYNTHESIS OF SOME BIO-ACTIVECOMPOUND

Laxmi Kant Sharma, I. R. Siddiqui and Rana K. Pal Singh*Department of Chemistry, University of Allahabad

Allahabad - 211002, U.P., India.E-mail: [email protected]

A number of some bio-active compounds as substituted oxadiazoles and triazoleswere synthesized at platinum anode in the presence of simple solvent and supportingelectrolyte by using small amount of electricity in undivided cell. The synthesizedcompounds were characterized by 1HNMR, 13CNMR, UV-Vis, Mass and IRspectroscopy. The mechanism of electrochemical synthesis was studied by cyclicvoltammetry. The operational simplicity of this method and the good yield of productsmake it valuable for the synthesis of heterocyclic compounds with fungicidal activity.

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PP: 127. GRAPHENE NANOCOMPOSITES: THEORETICALAND COMPUTATIONAL STUDIES OF ALUMINIUM DOPED

ARM-CHAIR GRAPHENE NANORIBBONS FOR DETECTIONOF TOXIC ARSENIC SPECIES IN AQUEOUS MEDIUM

Sangeeta Saini and Lovleen KaurDepartment of Chemistry, Kurukshetra University, Kurukshetra, Haryana,

India – 136119 E-mail: [email protected]

Graphene is known to have remarkable electrical properties. However, it being a zeroband-gap material, hinders its application as a sensor. Recently graphenenanocomposites are shown to have better sensing capabilities. In the present study,we have investigated the adsorption trends of arsenous and arsenic acid on arm-chairgraphene nanoribbons (aGNR). We, for the first time, present the comparative studyof electrochemical properties of aGNR and Al-doped aGNRbefore/after the adsorptionof arsenic species. The study is crucial for the development of metal-doped/ decoratedaGNR based electrochemical sensors for arsenic detection.

PP: 128. KINETIC STUDY OF OXIDATION OF METFORMINHYDROCHLORIDE BY POTASSIIUM PERMANGANATE IN

BASIC MEDIUM

Ravindra K S1 and Vidyavati shastry2

1Department of Chemistry, SEA College of Engineering and technology,Bangalore, India

2Department of Chemistry, SEA College of Engineering and technology,Bangalore, India


Kinetics and oxidation of metformin Hcl by KMnO4 in the NaOH medium was studiedspectroscopically at 525 nm. Reaction exhibits1:1 stiochiometry and pseudo 1st orderwith respect to KMnO4. The reaction products were idenfied by LCMS. Activationparameters were also calculated. From experimental result plausible mechanism was



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proposed. There is a good agreement between kobs and kcal rate constants at varyingconditions of experiments.

PP: 129. PHOTOCATALYTIC DEGRADATION OFAMOXYCILLIN BASED ON CU-DOPED ZNS QUANTUM DOT

Jyoti Patel and Ajaya Kumar SinghDepartment of Chemistry, Govt. V. Y. T. PG. Autonomous College, Durg, 491001,

(Chhattisgarh), India.E-mail: [email protected], [email protected]

This paper reports the facile synthesis, characterization and photocatalytic degradationof Cu-doped ZnS quantum dot (QDs). The semiconductor QDs were synthesizedthrough a simple soft chemical route, namely the chemical precipitation method andcharacterized in terms of their structural, morphological and optical properties. Further,the prepared QDs were efficiently used as effective photocatalyst for the degradationof Amoxycillin, a well-known antibiotic. To optimize the photocatalytic degradationconditions, various dose-dependent, pH-dependent, and initial drug-concentrationdependent experiments were performed. The observed results demonstrate that simplysynthesized Cu-doped ZnS QDs can efficiently be used for the photocatalyticdegradation of harmful drugs and chemicals.

PP: 130. METAL AND BASE FREE REGIOSELECTIVESYNTHESIS OF POLYSUBSTITUTED INDOLIZINES

Shashikant Tiwari and Diwan S. Rawat*Department of Chemistry, University of Delhi, Delhi-110007, India.

Phone: 91-11-27662683, Fax: 91-11-27667501,E-mail: [email protected], [email protected].

Nitrogen heterocycles are privileged compounds because they are present in numerousnatural products. Among them indolizines are very important class of compoundswhich is present in many natural products like swainsonine, castanospermine,lamellarincamptothecin. Compounds having indolizines skeleton show wide spectrumof biological activities like anticancer, antiviral, antioxidant, phosphatase inhibitor,

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analgesic, anti-tubular, aromatase inhibitor, anti-HIV agents. Indolizines derivativesare also be used in dyestuffs and fluorescent materials. During the past decade, manyresearch groups have made efforts towards the synthesis of indolizines via differentsynthetic routes likes trans-annulations of pyridotriazoles with alkynes, cross couplingof pyridines and alkenes, C-H bond activation and many more. All these synthesesinvolve the usage of transition metals, bases and toxic solvents. To avoid thesecomplicated methodologies, herein, we have developed a metal and base freeregiospecific synthesis of polysubstituted indolizines which involves the participationof amide group as a proton source along with neighbouring group participation underthe mild reaction conditions with easily available starting materials and good functionalgroup tolerance. The synthesized product contains nucleophilic group like amide whichcan be further functionalized in order to make biologically active compounds.

PP: 131. USE OF CHEMAXON WEB TOOLS IN KINETICSTUDY

Ram Gopal Amballa1, 2* and Nowduri Annapurna2

1 Govt. Degree College, Collegiate Education, Andhra Pradesh, India2Dept. of Engg. Chemistry, AUCE (A), Andhra University, Visakhapatnam, India


The kinetic and mechanistic detailing requires knowledge of certain properties of thedrug molecules that are used as substrates in kinetic study. The properties likemicrospecies present, isoelectric point, logP, logD and logS values for two â-blockersdrug substrates namely esmolol and aenolol were explored by using ChemAxon’sweb tools. Identification of reactive species of the substrate is the key to analyzingkinetic data and developing plausible mechanism. The web tools provided a data baseof microspecies of these drug substrates. The gross charges on a molecule andsolubilities as a function of pH were also obtained. The use of web tools for exploringchemical database in arriving at reactive species is unique and may be a green alternativefor future research in kinetics.



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PP: 132. BIOCONVERSION OF SUCROSE TO 2-HDROXYPROPANOIC ACID BY SUBMERGED FERMENTATION

EXPOSED TO METHYL METHANE SULPHONATE

Dr. Birendra Singh*Research Scholar, Department of Chemistry Magadh University, Bodh-Gaya -

824234, BiharE-mail: [email protected]

The efficacy of methyl methane sulphonateon bioconversion of sucrose to 2-hydroxypropanoic acid by Lactobacillus bulgaricus BS-18 has been assessed. It has beenobserved that the bacterial strain Lactobacillus bulgaricus BS-18 is most potentialand effective for the lactic acid fermentation process. It has been found that the mutagen,i.e., methyl methane sulphonateat concentration 0.3% enhances the bioconversion ofsucrose to 2-hydroxypropanioc acid by Lactobacillus bulgaricus BS-18 to an extentof 10.544% higher in comparison to control, i.e., 7.695 g/100ml while at concentration0.1% and onwards concentration of methyl methane sulphonateunder trial inhibitsand retards the production of lactic acid when experimental parameters are underoptimized conditions.

PP: 133. PREPARATION OF RESPONSIVE BILAYERMEMBRANE THROUGH MORPHOLOGICAL TUNING OF

THE NANO-SCALE BUILDING BLOCKS

Raj Kumar Gogoi, Arindombikash Neog, Neelam Sarmahand KalyanRaidongia

Department of Chemistry, Indian Institute of Technology Guwahati,Guwahati, 781039,

Assam, India.E-mail: [email protected]

As society thrives for automated systems, demand for novel smart materials is everincreasing. Typically, smart materials are designed based on structural gradient orcontrasting material compositions. Here we have demonstrated preparation of

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responsive bilayer membranes based on morphological tuning of the nanoscale buildingblocks. The macroscopic membrane prepared by self-assembling V2O5 nanosheetsand nanobelts shows contrasting mechanical and chemical properties. The contrastingmembrane of V2O5 nanosheets and nanobelts were combined to prepare bilayermembranes that can sense environmental stimuli such as solvent vapors, humidity,and light and respond to them by changing its own shape. Remarkably, the directionof the bending movement of the bilayer membrane are found to be selective towardsthe nature of the solvent vapors. In order to further improve the performance, thenanosheet section of the bilayer membrane was coated with MoS2 through a microwaveassisted synthesis method. Introduction of MoS2 drastically improved bending andrecovery speeds, conserving the selectivity towards the solvent vapors.

PP: 134. INFLUENCE OF WASTE RED MUD ONELECTROMAGNETIC INTERACTION

Rishu Prasad1 and S. K. S Parashar2*1School of Civil Engineering, Kalinga Institute of Industrial Technology Deemed to

be University, Bhubaneshwar-751024, India 2*Nano sensors Lab, School of Applied Science, Kalinga Institute of Industrial

Technology Deemed to be University, Bhubaneshwar-751024, IndiaE-mail: [email protected]

In order to understand the impact of red mud in polymer matrix for electromagneticapplication, PVA based red mud thin film was synthesised. PVA based thin film wassynthesised using solvent casting method and was characterised using Vector NetworkAnalyser (VNA) in Ku Band from 12.5 to 17.5 GHz. PVA of 3 wt% was selected dueto its linear matrix. Red mud concentration was varied to 0.5%, 1.0%, 1.5%, 2.0% tounderstand the effect of red mud with increase in doping concentration along withPVA. Materialistic properties including dielectric and permeability was observed atroom temperature where as its electromagnetic properties including reflectiontransmission and shielding parameters were also analysed for deeper understandingof electromagnetic interaction.



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PP: 135. ANTIFUNGAL ACTIVITY OFDIPYRIDINEBISBIGUANIDIUMCOBALT(III)HYDROXIDE

[CO(BIGH)2PY2](OH)3ON A. NIGER AND A. ASPERGILLUS INTWO DIFFERENT MEDIUM

Madhu Kumari GuptaAssistant Professor, Dept. of Chemistry, Magadh Mahila College, Patna University


Transition metal Cobalt forms complexes with mixed ligands. Cobalt with oxidationstate +3 forms coordination complex with biguanide and pyridine.Dipyridinebisbiguanidiumcobalt(III) hydroxide had been prepared and its elementalanalysis and some spectral data had been done. In this research paper, an effort is madein order to characterize their UV and IR spectroscopic characters and find out its capacityto inhibit the growth of two fungus of ascomycetes group in PDA(Potato Dextrose Agar) and SDA (Sabourand Dextrose Agar) medium. Ligands were complexed with theCo(III) and coordination complex formation was confirmed by UV and IR spectroscopicaldata and antifungal activity was done by dilution test method . It was concluded that thecompound shows 100% if concentration reached 1000 μg/ml.

PP: 136. STUDY OF THE INDUCING POWER OF THEOXIDANTS KMnO4 AND K2S208 IN THE REDUCTION OF Hg

(II) CHLORIDE BY MONOSACCHARIDES

Dr. Vishal Pathak and Dr. K. K. Bhardwaj1Head: Department of Chemistry Paliwal (P.G.) College Shikohabad

(Firozabad) (UP)2Head: Department of Chemistry Govt. PG College, Fatehabad, Agra (UP)

A comparative study of the inducing power of the oxidants, Potassium permanganateand Patassiumperoxydisuslphate was studied by mono saccharides (glucose/fructose)in the reduction of Hg (II) chloride. From a comparative angle, it may be suggestedthat permanganate rapidly oxidizes mono saccharides at a lower temperature rangewhereas peroxydisulphate (KPS) requires a higher temperature range for oxidation.

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PP: 137. ACTIVITY OF SOME METALCHELATES WITHSCHIFF BASE DERIVED FROM O-PHENYLENEDIAMINE

AND 1,2-DIACETYLBENZENE

Hari Mohan Prasad SinghDepartment of Chemistry, Dr. L. K. V. D. College, Tajpur, Samastipur

L.N.MithilaUniverisity, Darbhanga, IndiaE-mail: [email protected]

Schiff base was synthesized by the condensation of o-phenylenediamine and 1, 2-diacetylbenzene. The transition metal (II) complexes were formed by the reaction ofCo (II), Ni (II) and Cu (II) bromide with the Schiff base ligands. The complexes werecharacterized by elemental analyses, molar conductance, infrared and electronic spectraldata. The complexes exhibited various colors. They are also non-electrolytes in DMF,and are all airstable. The microanalysis results revealed that the Schiff base ligandscoordinated to the metal ions in 1:2 (metal-ligand) molar ratios. The chemical structuresof the Schiff-base ligand and its metal complexes were confirmed by variousspectroscopic studies like IR, UV-VIS, elemental analysis, molar conductance, andmagnetic susceptibility measurements. On the basis of elemental and spectral studies,16-membered macrocycliccomplex MLX2was assigned. (M=Co (II), Ni (II), Cu (II)),X= Cl-, Br-, NO3

-, ClO4- and L is a Schiff base 16-membered macrocyclic ligands

Metal ions belonging to transition metal family have unique capability to unite simplemolecules with pairs of electron so as to develop assemblies for paying a catalyticroles in many biological processes such as oxygen in respiration and photosynthesis.Among the all donor atoms, nitrogen and oxygen have unparalleled chemistry. Waterhaving oxygen with two lone pairs and ammonia having nitrogen with one lone pairligate with the metal ion to give complexes. The free Schiff base and its complexeshave been tested for their antibacterial as well as antimicrobial activity by using discdiffusion method and the results discussed.



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PP: 138. BIOACTIVITY (IN VITRO) OF LUTEOLIN-6C-GLUCOSIDE ISOLATED FROM ANISEEDS (PIMPINELLA

ANISUML.)

Prof. (Mrs.) B. Andallu and Dr. Shobha IRSri Sathya Sai Institute of Higher Learning, Anantapur campus,

Anantapur-515001, AP.E-mail: [email protected]

Drug discovery from medicinal plants has mainly relied on biological activity guidedisolation methods which have led to the discovery of important herbal drugs. In thepresent study, methanolic extract of aniseeds (sounf) was sequentially fractionatedusing solvents in the increasing order polarity viz. hexane, benzene, ethyl acetate, n-butanol and water. Two sub-fractions E1 and E2 were obtained from ethyl acetatefraction by column chromatography that had highest polyphenolic content. Out of E1and E2, sub-fraction E1 was identified to be a glycosylated flavone, luteolin-6C-glucoside by nuclear magnetic resonance spectrometry (NMR). In vitro analysesrevealed luteolin-6C-glucoside to possess radical scavenging activity, reducingpotential, anti-peroxidative effect in various in vitro models, anti-diabetic effect,antihypertensive effect, hypolipidemic effect and anticarcinogenic effect (SRB assay)in leukemia cell line (JURKAT). Thus, luteolin-6c-glucoside, can be considered as aphytoceutical present in aniseeds which can be a lead molecule for the discovery ofactive drugs for healthcare.

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PP: 139. ASSESSMENT OF HEAVY METALS IN THEWASTEWATER OF METAL INDUSTRIES ON THE INDO-NEPAL INDUSTRIAL CORRIDORE OF EASTERN TERAI

B. K. Kanth1 and S. K. Chakrabarti2*

1Department of Chemistry, MMAM Campus, Biratnagar, Tribhuvan University, Nepal2Department of Physics, MMAM Campus, Biratnagar, Tribhuvan University, Nepal


Biratnagar is the second largest city of Nepal. Besides its mythological attraction it isalso famous as an industrial city. In and around Biratnagar there are many metalindustries–large and small–all on the Indo-Nepal industrial corridor of eastern Terai.These factories eject wastewater contaminated with heavy metals. Through drainagesystem often this wastewater runs into Budhiganga river encircling Biratnagar bySinghiya and Keshaliya streams. Some of the heavy metals are biologically importantto organisms including human being. Some of them are highly toxic and hazardous ifexceed the acceptable limit. This paper focuses on this vital aspect.

PP: 140. SYNTHESIS AND REACTIONS OF ARYLDITHIOCARBAMATES FOR MULTIFUNCTIONAL

APPLICATIONS

Harsha I. Narkhede,* Avinash S. Dhake and Kanchan M. KhedkarDepartment of Pharmaceutical Chemistry, SMBT College of Pharmacy,

Dhamangaon, Nashik, Maharashtra- 422403E-mail: [email protected]

The utility of dithiocarbamates (DTCs) in organic synthesis as well as pharmaceuticalapplications is the basis for their selection in our ongoing area of research. This paperreports on potentially active old but versatile DTCs (2a-h) with some newerapplications. We have designed and prepared thiosemicarbazides/semicarbazides andamino acid esters (3a-f) conjugated with multifunctional arylDTCs. The privilegedphamacophoric motifs are substituted aryl thiosemicarbazides/semicarbazides anddihydropyrimidines. A number of these candidate molecules have shown promise with



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a spectrum of pharmacological activities including calcium channel blocking andanticancer activities. This report presents details of synthesis, characterisation detailsand screening results.

PP: 141. STRUCTURAL HIERARCHY IN POLYSACCHARIDECROSS-LINKED GELS AND THEIR APPLICATIONS

Mansi Rai, Ankita Nema, Mustri Bano and Farid KhanNanomaterials Discovery Laboratory, Department of Chemistry,

Dr. H. S. Gour Central University, SAGAR- IndiaE-mail: [email protected], [email protected]

An epoch making approach is used to prepare ordered capillaries by dissipativeconvective process followed by freeze drying of anisotropically ordered alginate–dextran/Graphine oxide(GO) hydrogels produced by ionic diffusion of Cu2+ ions.Scanning electron microscopy, Fourier transform infrared spectroscopy, Powder X-Ray diffraction and Rheological studies were used for characterization. The ionotropicgels consist of capillaries, 10–150 μm in diameter which comprised small pores 10–50 μm in size. Addition of dextran modified the surface morphology of the gel whereas,GO is played as reinforcing agent. Both also stabilzed the microstructure of thecrosslinked gels. The freeze-dried Cu/alginate/dextran/GO gel was further cross-linkedwith epichlorohydrin in basic media to protect its internal microstructures. Mechanicalstrength of the anisotropically ordered Cu/alginate/dextran/GO sponges alsoinvestigated. Possible applications have also been discussed.

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PP: 142. A GREEN CHEMISTRY APPROACH TOWARDSSYNTHESIS OF DIHYDROPYRIMIDINONES/

THIOPYRIMIDINONES USING DRAGON FRUIT(HYLOCEREUSUNDATUS, THE WHITE-FLESHED PITAHAYA)

JUICE AS CATALYST BY GRIND STONE TECHNIQUE

Y. I. Shaikh*, Vaishnavi Salgar, A. R. Shaikh, G. M. NazeruddinDepartment of Chemistry, Abeda Inamdar Senior College, Pune-411001,

Maharashtra, India.

In the present work Biginelli reaction was accomplished just by grinding equimolarquantities of ethyl acetoacetate, Urea/thiourea and aryl aldehyde with Dragon fruit(HylocereusUndatus, the white-fleshed Pitahaya) juice (pH around 4.5) as a catalystfor 10 to 15 minutes at ambient condition. The crude product was recrystallized byethanol. This protocol is a greener approach for organic transformations, thusfacilitating efficient synthesis of bioactive compounds in environmentally benign waywith shorter reaction time, mild reaction conditions, and easy workup with excellentyield of the product.

PP: 143. SONO CHEMICAL AND THERMODYNAMICSTUDIES OF BINARY MIXTURES OF META –XYLENE WITH

PROPAN-1-OL AT 298.15 K AND 303.15 K

T. S. Savale,1 D. F. Shirude1 and J. M. Shewale1

1M.S.G. College Malegaon, Dist Nashik (M.S)E-mail: [email protected]

Density and ultrasonic velocity of meta–xylene with propan-1-ol at 298.15 K and303.15K are measured. The parameters specific acoustic impedance (Z), isentropiccompressibility (Ks), Intermolecular free length (Lf), relative association (Ra) etc. arecalculated by using ultrasonic velocity at 298.15K and 303.15K. In present work Zvalue increases with more concentration suggests intermolecular interaction betweenalcohol and xylene molecules.



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PP: 144. STUDIES OF SOME BINUCLEAR TRANSITIONMETAL COMPLEXES OF BIOLOGICAL IMPORTANCE

Anju K. Gupta1, S. Prakash2 and D. Prakash2

1P.G. Department of Chemistry, A.N. College, Patna.2Department of Chemistry, Patna University, Patna.

The study of binuclear complexes is extensive and its applications in areas such asmetalloenzymes, homogeneous catalysis, electrical conductance and magneticexchange processes have been comprehensively reviewed. Also studies on coordinationchemistry of these binuclear complexes indicate their possible role in plant as well asanimal metabolism. Interaction of these metal ions with naturally occurring substratesshows the active transport of these ions across the cell walls in plants and animals. Inthe present research, we have synthesized and investigated some binuclear complexesof copper(II) and nickel(II) with alkali metal salts of thiocyanate and perchlorate withthe help of infrared spectra, electronic spectral studies and magnetic momentmeasurements. The infrared spectral studies suggest that the coordination with thealkali metal ion occur through the oxygen atom of the phenolic group of the transitionmetal chelate of 2-Hydroxy-1,4-naphthaquinone, 5-Hydroxy-1,4-naphthaquinone and1-Hydroxy anthra quinone.

PP: 145. EXPERIMENTAL AND COMPUTATIONAL STUDIESOF METALLO-ISOPORPHYRINS: SYNTHESIS, PROPERTIES

AND PROSPECTIVE APPLICATIONS

Jagannath BhuyanDepartment of Chemistry, North Eastern Regional Institute of Science andTechnology (NERIST), Nirjuli, Itanagar, Arunachal Pradesh-791109, India


Metallo-isoporphyrins have received significant attention recently due to the promisingapplications such as photosensitizer in photodynamic therapy (PDT), as near infra-red dye and as catalyst in different organic transformation reactions. Isoporphyrin isa tautomer of porphyrin with a saturated meso-carbon atom and display strong

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absorption at longer wavelength (~ 750 to 900 nm) region and typical redox property.Iron(III)-isoporphyrin complexes are known as potential biomimetic catalysts becauseof their iso-electronic nature with Fe(IV)-oxo porphyrin radical. We have been workingon synthesis and potential applications of zinc and iron isoporphyrin complexes. Here,we are describing the experimental and theoretical studies on synthesis and propertiesof some novel methoxy and hydroxy zinc and iron isoporphyrin complexes. Themetallo-isoporphyrins have been synthesized using different oxidizing agents likenitrogen dioxide, ceric ammonium nitrate etc. The synthesized compounds are strongcandidate for near infra-red dye due to the higher absorption at longer wavelength(~800 nm) region. Theoretical studies was carried out using density functional theory(DFT) to optimize the structures, for determination of energy, frequencies, redoxpotentials and electronic absorption spectra of the synthesized complexes and comparedwith the experimental results.

PP: 146. SYNTHESIS AND CHARACTERIZATION OF HETEROPOLYNUCLEAR COMPLEXES OF NICKEL(II) AND

COPPER(II)

S. Prakash1, Anju K. Gupta2, and D. Prakash1

1Department of Chemistry, Patna University, Patna.2P.G. Department of Chemistry, A.N. College, Patna.

The synthesis of hetero polynuclear oxygen bridged complexes of alkali metal chelateshas been of special interest because of the possibility of their use as models to explainsome intricate reactions in biological systems. In the present research, we havesynthesized a number of novel hetero polynuclear complexes of alkali metal chelatesof organic acids with nickel picolinate acid N-oxide and copper picolinate acid N-oxide. For the preparation of alkali metal chelates, the organic acids such as 1-Nitroso-2-naphthol, 2,4-Dinitro phenol and 8-Hydroxy quinoline were used. These complexeshave been characterized on the basis of infrared spectra, electronic spectral studiesand magnetic moment measurements. The studies have revealed that in thesecomplexes, the transition metal chelates are joined to the alkali metals by carboxylatebridges.



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PP: 147. SYNTHESIS AND CHARACTERIZATION OFNANOMEDICINE

Priya Singh, Sunitha B. Mathew and Ajaya K SinghDepartment of Chemistry, Govt. V. Y. T. PG Autonomous College, Durg

491001, (Chhatisgarh), India E-mail: [email protected]

Organic nanoparticles of chloramphenicol have been synthesized in Triton x-100/butanol/water microemulsion by direct precipitation of active compound in aqueouscore under continuous ultrasound treatment. Generally, the size of the nanoparticlesdepends on different parameters such as the concentration of the organic moleculesand the diameter of the water cores which is related to the ratio R = [H2O]/[surfactant].The nanoparticles are observed by transmission electron microscopy (TEM) using theabsorption of a contrasting agent, such as iodine vapor. The particles remain stable forseveral months. The average diameter of the chloramphenicol nanoparticles variesbetween 6.0 to 10.4 nm. The constant size of the nanoparticles can be explained bythe thermodynamic stabilization of a preferential size of the particles.

PP: 148. MIXED-LIGAND COMPLEX FORMATION OF CO(II),NI(II) AND CU(II) WITH MERCAPTOSUCCINIC ACID AS

PRIMARY LIGAND AND 1, 10-PHENANTHROLINE ASSECONDARY LIGAND IN DIMETHYL FORMAMIDE MEDIA

V. Tejeswara Raoa, P. Lakshmi. Kishorea and G. Nageswara Rao*aMVR PG college, Visakhapatnam-530026, India

*Department of Inorganic and Analytical of Chemistry, Andhra University, Visakhapatnam-530003, India


The ternary systems of Co(II), Ni(II) and Cu(II) complexes with with Mercaptosuccinicacid as Primary Ligand and 1, 10-Phenanthroline as Secondary Ligand are investigated.The stability constants of the complexes were determined pH metrically in Dimethylformamide Media at 25 ºC and I = 0.16 mol/L NaCl. The predominant species detected

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are MLX, ML2X and MLXH, MLX2H. Models containing different numbers of specieswere refined by using the computer program MINIQUAD 75. The best - fit chemicalmodels were arrived at based on statistical parameters. The relative stabilities of theternary complexes are determined and species distribution of all complexes in solutionwas evaluated.

Distribution diagram of Cu(II)-MSA-Phen complexes in 30 % v/v of DMF- water

PP: 149. MOLECULAR DOCKING STUDIES ON POTENTIALPPAR-Ã AGAINIST FROM PRENYLATED GUAIANES

Pujala Shivakrishna and Estari MamidalaInfectious Diseases Research Lab, Department of Zoology, Kakatiya University,

Warangal-506009, Telangana State, IndiaE-mail: [email protected]

The rates of type 2 diabetes (T2D) are rising to epidemic proportions in India andworldwide. Anti-T2DM lead prioritization was performed on a set of knowncompounds from Prenylated Guaianes. The Docking experiments were done usingAutodock software for Seven compounds docking with PPAR-gamma.In the presentstudy, three compounds [Dolabellane found to be a lead with better docking score.The residues of PPAR-gamma were might play an important roles in binding with



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these compound. The results showed that there is scope for the improvement of activityof Dolabellane analogs to discover a potent anti-T2DM compound docking, PPAR,PrenylatedGuaianes, Diabetes mellitus.

PP: 150. REVASTIGMINE LOADED PLGA NANOPARTICLES:THEIR CHARACTERIZATION AND STUDY ITS RELEASEKINETICS TO CROSS BLOOD BRAIN BARRIER IN VITRO

Satyendra Kumar Tripathi*, Sandhya Pathak and Archna PandeyDepartment of Chemistry, Dr. H.S. Gour central University, Sagar (MP), India


The current therapies for Alzheimer disease (AD) such as the anticholinesteraseinhibitors which provide moderate symptomatic delay at various stages of disease,but do not arrest disease progression or supply meaningful remission and do notcross blood brain barrier. As such, new approaches to disease management are urgentlyneeded. The delivery of these drugs should be such that they can cross Blood BrainBarrier and be efficiently delivering to the brain and destabilized amyloid fibrils.Revastigmine is the drug approved by FDA which is used for the treatment Mild tomoderate stages of Alzheimer’s disease. The aim was to develop Rivastigmine loadedPLGA (Biodegradable polymer) nanoparticles which can cross blood brain barrierwithout any obstruction and modified Nano precipitation method is used for theformulation of Revastigmine loaded drug nanoparticles. The size of particles is studiedby DLS (dynamic light scattering).The crystal structure and morphology of thesenanoparticles is studied by SEM and TEM respectively. Polymeric Nanoparticles wereobtained in the average size ranging from 125.7 nm to 230.8 nm. The SEM imageshows the nanostructure of particles. The encapsulation efficiency of nanoparticlesranged between 75% to 90%. These particles show the good drug loading capacity.Different kinetics models, such as zero order, first order, Higuchi model, Hixson-Crowell model and Kors-meyer-Peppas model were used to analyze the in vitro drugrelease data. TEM results showed that these nanoparticles were spherical in shape,and follow the Korsmeyer-Peppas model with a release exponent value of n = 0.726.

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PP: 151. ONE POT SYNTHESIS OF 2-AMINO-3-CYANO-4,6-DIARYLPYRIDINES VIA ORTOLEVA-KING REACTION

Nancy Slathia, Sheena Mahajan and Kamal K. Kapoor*Department of Chemistry, University of Jammu, Jammu 180 006, India


Pyridine derivatives are widely studied due to their wide range of applications inmedicinal chemistry and presence in biological molecules such as in B6-vitaminspyridoxine, pyrodoxal, pyridoxamine and codecarbaxylase. Some pyridines exhibitantitumor, antibacterial, antifungal, antimyotic and antidepressant activities apart fromapplications in material science. Our efforts on the synthesis of 2-Amino-3-cyanopyridines via Ortoleva-King reaction will be presented.

PP: 152. SYNTHETIC UTILITY OF 1-HYDROXYIMINO-2,3,4,9-TETRAHYDROCARBAZOLES- AN ATTEMPTED SYNTHESIS

OF AMINOCARBAZOLES

M.Sridharana* and K J Rajendra Prasadb

a* Department of Chemistry, RV College of Engineering, Bangalore -560059.b Department of Chemistry, Bharathiar University, Coimbatore- 641046.

Among carbazole alkaloids, aminocarbazoles and their derivatives have gained greaterimportance due to their high level of biological as well as pharmacological activities.Much interest centers on these aminocarbazoles because these can be utilized assynthons to prepare various substituted analogs such as pyrido-, pyrimido-, imidazo-and pyridazino- carbazoles which possess properties such as anti-cancer, anti-fungal,anti-HIV and DNA-intercalating agents. A review of synthetic procedures towardsaminocarbazoles from research reports and patent applications shows that most effortssuffer from some limitations such as complicated procedures, low yields or difficultyin accessing starting materials. Hence, we searched for a simple and elegant synthesisof these type of carbazoles in a single step using 1-hydroxyimino-2,3,4,9-tetrahydrocarbazoles, the potential precursors capable of deriving many substitutedcarbazole compounds. An attempted synthesis of 1-aminocarbazoles from 1-



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hydroxyimino-2,3,4,9-tetrahydrocarbazoles resulted in the formation of newheterocyclic ring fused carbazoles. The spectral and analytical data showed thepossibility for two structures, imidazo[4,5,1-j,k]carbazol-3-ol (1) or oxazolo[4,5-a]carbazole (2) . Final conclusive proof for the formation of 1 over 2 was rendered byacetylating the product using acetic anhydride and pyridine to yield O-acetylatedcompound rather than N-acetylated compound. A plausible mechanism for theformation has been proposed. Thus, we have been able to develop a new short approachtowards the imidazo carbazoles and have, as well achieved the synthesis of this typeof ring system. These heterocyclic analogs may possess an important applicationtowards biologically active natural products as well as in pharmaceutical systems.

PP: 153. NEW METHOD FOR SYNTHESIS OF INDOLEDERIVATIVES VIA ZIRCONIUM AND TITANIUM NANO

CATALYST

Atish Roy,*Aayushi Chanderiya and Ratnesh DasDepartment of Chemistry, Dr. Hari Singh Gour Central University,

Sagar (M.P.), 47000E-mail: [email protected], [email protected]

In recent time indole derivetives have drawn special attention because they are usedas pharmacologically biological active compounds. Present work suggest method forthe synthesis of symmetrical and unsymmetrical 3, 3-di(indol-3-yl)indolin-2-ones fromisatin and indole and catalyzed by ZrO(NO3) and TiO2 nanoparticles.

PP: 154. SYNTHESIS AND SPECTRAL STUDIES OFSUBSTITUTED 4H-1,4- BENZOTHIAZINES

Naveen GautamDepartment of Chemistry, L. B. S. Govt. P.G. College, Kotputli-303108

Jaipur, (Rajasthan)E-mail: [email protected]

Six membered heterocyclic compounds have occupied a prominent place amongvarious classes of organic compounds for their diverse biological activities. Among awide variety of heterocycles, that have been explored developing pharmaceutically

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important molecules, 4H-1,4-benzothiazines, their sulfones and ribofuranosides haveplayed an important role in medicinal chemistry. Benzothiazines possess a fold alongnitrogen-sulfur axis which is one of the structural specificities responsible forpharmacological activities.7-Chloro-5-methyl-4H-1,4-benzothiazines were synthesizedby condensation followed by oxidative cyclisation of 2-amino-5-chloro-3-methylbenzenethiol with â-diketones/â-ketoesters in presence of dimethyl sulfoxideAll the synthesized compounds have been characterized by spectral and elementalanalysis.

PP: 155. AMBERLYST A-15: RAPID AND EFFICIENTCATALYST FOR ONE-POT MULTICOMPONENT SYNTHESISOF 1,4- POLYHYDROQUINILINE DERIVATIVES THROUGH

UNSYMMETRICAL HANTZSCH REACTION

Shivaji S. Pandit*

Research Centre and Post Graduate Department of Chemistry, Padmashri VikhePatil College of Arts, Science and Commerce College Pravaranagar (Loni Kd) Tal.

Rahata, Dist. Ahmednagar. 413713.E-mail: [email protected]

Quinolines containing 1,4-dihydropyridine are important due to their therapeutic andpharmacological properties like antitumor, bronchodilator, vasodilator, antimalarial, anti-inflammatory, and antibacterial activities. 1,4-dihydropyridine nucleus containing drugslike nimodipine, lacidipine possess calcium antagonist activity and the cardiovascularagents like nifedipine, nicardipine and amlodipine are strongly effective against thetreatment of hypertension. Synthesis of polyhydroquinoline derivatives can be achievedby various organocatalysts, CAN, Sc(OTf)3, Bi(NO3)3.5H2O,p-TSA, MW irradiation,L-proline, Yb(OTf)3, nanoparticles, high temperature in refluxing solvents, NaI-TMSCl,ionic liquids,molecular iodine, FeF3, HY-zeolites and MCM-41-SO3H, HClO4-SiO2 andMont. K-10 have been reported and some of the methods are associated with severalshortcomings like long reaction time, expensive reagents, harsh reaction conditions,low products yields, and large quantity of organic solvents. Herein we reports the catalyticrole of Amberlyst A-15 for one pot synthesis of 1,4-polyhydroquiniline derivatives throughunsymmetrical Hantzsch reaction under reflux conditions.



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PP: 156. IONIC LIQUID ASSISTED STRECKER REACTION

Rahul BadruDepartment of Chemistry, S.G.G.S.W. University, Fatehgarh Sahib, Punjab-140406


Three component reaction of aldehydes, amines, and cyanide that lead to the generationof á-aminonitriles is known as the Strecker reaction. The Strecker reaction proceedthrough addition of alkaline metal cyanide or hyrogen cyanide to imine and providean easy pathway for the synthesis of á-aminonitrile. The nitrile functionality can furtherbe hydrolysed to á-amino acids, á-amino ketones, á-amino alcohols, 1,2-diaminesand various nitrogen containing heterocycles such as thiadiazoles and imidazoles. Inthe present work, 1-decyl-3-methyl imidazolium bromide and 1-dodecyl-3-methylimidazolium bromide ionic liquids have been synthesized and characterized by TLC,melting point, IR and NMR spectroscopic techniques. Then a three component efficientand facile procedure was developed for the synthesis of á-aminonitriles followed byamino acid from aromatic aldehydes, amines, and trimethylsilyl cyanide in 1-dodecyl-3-methyl imidazolium bromide ionic liquid as a reaction medium at room temperature.Excellent yields are obtained in this one-pot procedure with short reaction times andthe ionic liquid medium reused several times in a row. The procedure has successfullyincorporated for both aliphatic and aromatic aldehydes. The product so formed ie. á-aminonitriles was obtained in excellent yield which was characterizeed by IR andNuclear magnetic resonance (NMR).

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PP: 157. DESIGN, SYNTHESIS AND BIOLOGICALEVALUATION OF NOVEL BENZOXAZOLE DERIVATIVE AS

ANTI-TUBERCULAR COMPOUNDS.

Srishti Rawat1, Tannu Priya Gosain2, Ramandeep Singh2 and Diwan S. Rawat1

1Department of Chemistry, University of Delhi, Delhi-1100072Translational Health Science and Technology Institute, Vaccine and Infectious

Disease Research Centre, Gurgaon 122016, IndiaE-mail: [email protected]

M. tuberculosis is a contagious pathogen which infects millions of people every year.With the ever increasing cases of multidrug resistance TB (MDR-TB) and extensivedrug resistance TB (XDR-TB) and limited availability of clinically approvedantitubercular drugs in market, there is an urgent need for new drugs. Ionisine 52 -monophosphate dehydrogenase 2 (IMDPH2) from M. tuberculosis have recently beenidentified as a drug target. IMPDH catalyzes the transformation of inosine 52 -monophosphate (IMP) to xanthosine 52 -monophosphate (XMP) in the presence ofNAD+. This is the first and the rate-limiting step in guanine nucleotide de novobiosynthesis. IMPDH is emerging as an appealing target owing to the vital role ofguanine nucleotides in various biological processes. Recently, various benzoxazolescontaining moiety have been reported as inhibitors of prokaryotic IMDPH2. Thus, incontinuation to our studies towards the development of anti TB-agents, a series ofbenzoxazoles derivatives have been designed with an aim to improve the therapeuticpotential of the resulting molecules.



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PP: 158. DESIGN AND SYNTHESIS OF A CORE-SHELLMAGNETIC Fe3O4@POLY(M-PHENYLENEDIAMINE)@Cu2O

NANOCOMPOSITE FOR THE SYNTHESIS OF 5-PHENYL-[1,2,3]TRIAZOLO[1,5-C]QUINAZOLINES

Manish Rawat and Diwan S. Rawat*Department of Chemistry, University of Delhi, Delhi-110007, India.

Phone: 91-11-27662683, Fax:91-11-27667501,E-mail: [email protected], [email protected].

The study of heterogeneous catalysis has been a subject of intense study since theindustrial revolution in the early 1800s and nano catalysis has gained muchimportance in recent years due to their added advantage of high selectivity, activity,low energy consumption, and long lifetime. In continuation of our work in thearea of nanocatalysis, we synthesized a core-shell magnetic Fe3O4@poly(m-phenylenediamine)@Cu2O involves m-phenylenediamine functionalization ofFe3O4 surface followed by stabilization of Cu2O using copper chloride as precursor.The synthesized material was characterized using SEM, TEM, powder x-raydiffraction and XPS analysis and is used in the synthesis of 5-phenyl-[1,2,3]triazolo[1,5-c]quinazolines from simple and easily available 4-(2-bromophenyl)-1H-1,2,3-triazole, aldehyde and sodium azide without usage of anyadditive and base. This catalytic system was found to be efficient and robust systemfor synthesis of [1,2,3]-triazolo[1,5-c]quinazolines with better green chemistrymetrices E factor (1.29), PMI (2.29), high turnover number (123.4). Nanocatalystwas recycled and reused for five more cycles without significant loss in its activitywithout leaching of Cu2O from ferrite support.

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PP: 159. ENVIRONMENTAL FRIENDLY SYNTHESIS OFBIOACTIVE 7-PHENOXY-4H-1,4-BENZOTHIAZINES

Yogesh Chand SharmaDepartment of Chemistry, L. B. S. Govt. P. G. College, Kotputli-303108


4H-1,4-benzothiazine and their analogs constitute an important class of bioactiveheterocyclic. Their literature studies have shown their various chemotherapeuticimportances. Many of their derivatives are in clinical use as antipsychotics, analgesics,diuretics, antitussives and antihistamic, central nervous system depressant, anti-inflammatory, anticancer, tranquilizer and antibiotic agents. During presentinvestigation, microwave induced synthesis of 4H-1,4-benzothiazines by thecondensation of substituted 2-aminobenzenethios with â-diketones under solventfree conditions using alumina, silica and montmorrilonite clay as energy transfermedium has been carried out. Remarkable rate enhancement and dramatic reductionin reaction time with better yield have been observed as compared with compoundsprepared from conventional methods. Structural evaluation has been done by spectraland elemental analysis. Antimicrobial activities of these compounds were also carriedout.

PP: 160. ANTIMICROBIAL AND ANTIFERTILITY ACTIVITYOF S-BENZYL DITHIOCARBONATES WITH ITSORGANOTITANIUM AND ORGANOZIRCONIUM

COMPLEXES

Priyanka Ghanghas and Kavita Poonia*Department of Chemistry, Banasthali Vidyapith, Tonk 304022, India


The reaction of the S-Benzyl dithiocarbonates with its Organotitanium andOrganozirconium complexes under microwave and thermal conditions. The Schiffbase ligand coordinated to the metal ion in 1:1 and 1:2 molar ratios in the presence of



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dry THF as solvent using triethylamine (Et3N) as hydrogen chloride acceptor.Synthesized complexes structural conclusions are drawn for reaction products basedupon elemental analysis, electrical conductance, and spectral (electronic, infrared,UV 1 H NMR and 13 C NMR data. The antimicrobial and activity antifertility of theligand and metal complexes are discussed with a comparative study in an effectivemanner.

PP: 161. SYNTHESIS AND SCREENING OF NOVEL HISPOLONDERIVED HETEROCYCLIC SULFONAMIDES AS

POTENTIAL ANTIMICROBIAL AGENTS

Sharmila N* and Hari Babu Bollikollaa*

Department of Chemistry, Acharya Nagarjuna University, Guntur-522510,AP-India

A series of 10 novel hispolon pyrazole sulfonamides were synthesized by usinghispolons and 4-sulfonamide phenylhydrazine hydrochloride with better yields. Thesynthesized pyrazole sulfonamides were screened for anti-TB, anti-bacterial and anti-fungal activities. Among them, 1a and 1b, shows selective potent anti TB activity(MIC 6.25μg/mL) and the compound 1b was showed highest inhibition onStaphylococcus aureus.

PP: 162. DRUG DELIVERY: THERMO RESPONSE PROTEINHYDROGEL

Ravinder SinghDepartment of Chemistry, University of Delhi 110007 INDIA


Bio-engineering researchers have created a biocompatible, protein-based hydrogelthat could serve as a drug delivery system durable enough to survive in the body formore than two weeks while providing sustained medication release. The researchadvances an area of biochemistry that is also critical to tissue engineering andregenerative medicine. Protein hydrogels are more biocompatible than synthetic onesand do not require potentially toxic chemical crosslinkers.

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PP: 163. MGO@AG HYBRID NANOCATALYST FOR AMBIENTPRESSURE ACTIVATION OF CO2 TO AFFORD ESTERS AND

LACTONES

Upasana Gulati and Diwan S. Rawat*Department of Chemistry, University of Delhi, Delhi-110007, India.

Phone: 91-11-27662683, Fax:91-11-27667501E-mail: [email protected], [email protected].

Nature balance the carbon cycle to minimize the global warming by convertingCO2 into cellulosic organic matter using Lewis acidic (Mg+2) Rubisco enzyme.The Lewis acidic and basic sites of MgO and Ag (alkynophillic) are responsiblefor driving various industrially useful organic transformations and have bindingaffinity toward CO2.

1 With this background and in continuation of our interesttowards sustainable catalysis,2-6 we designed MgO@Ag hybrid catalyst for efficientCO2 fixation into alkynes to produce esters as a versatile synthon. The hybridnanocatalyst has monodisperse growth of Ag nanoclusters (~ 10 nm) on porousmicro sized MgO cubes (~2 ìm) with different loadings of Ag (2, 5, 7 and 8 at%).The microtome slicing results revealed that each porous MgO cube is a self-assembled structure made up of small MgO cubes (~100 nm) decorated with Agnanoclusters. The catalytic activity of MgO@Ag hybrid nanocatalyst was utilizedfor ester synthesis with phenyl acetylenes and cinnamyl chloride at 1atm pressureof CO2 for the first time. It was found that the synergistic effect of MgO and Agenhanced the local concentration of CO2 to increase the catalytic efficiency ofhybrid nanocatalyst. The present method shows high catalytic efficiency, widesubstrate scope, recyclability up to five cycles, no Sonogashira coupling sideproduct and high atom economy.



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PP: 164. REMOVAL OF CHROMIUM FROM AQUEOUSMEDIUM BY BENTONITES

Ashok Kumar Jha Department of Chemistry, T. M. Bhagalpur University, Bhagalpur


Bentonite is a hydrated alumina-silicate clay composed of the smectite class mineralMontmorillonite. The percentage of silica varied from 35.60% to 47.52% whereaspercentage of alumina varied from 26.90% to 32.94%. Though many adsorbents eg flyash, coal, activated slag and agricultural wastes have been tried, bentonites have beenfound to be a good adsorbent and ion exchanger for heavy metals. Fixed mass of bentoniteshas been treated with 100mL 2ppm Cr(VI) up to different interval of time as a result ofwhich concentration of Cr(VI) decreases up to 0.05ppm obeying first order kinetics.Thus bentonites may be exploited as an eco-friendly method of removal of Cr(VI).

PP: 165. CORROSION INHIBITION STUDIES ON MILD STEELIN ACIDIC ENVIRONMENT USING THE TARO MEDICINAL

PLANT EXTRACT

Chhagan Lal* and N.Palaniappana

*Department of Chemistry, Harcourt Butler Technical University, KanpuraSchool of Chemical Sciences, Central University of Gujarat,Gandhinagar


Investigation carried out to achieve eco–friendly corrosion inhibition on mild steel inM sulphuric acid and thereby enhances the hydrophobic nature using the green inhibitortaro medicinal planti.e.colocasia esculenta. The cost effective green inhibitor (taroleaf extract) is one of the most practical methods for protection against corrosionespecially in alkaline and acidic solutions to prevent metal dissolution. The corrosioninhibition of mild steel in 1M HCl solutions using naturally occurring Aloe vera extracthas already been proved effective corrosion inhibitor. Alkaloids extract ofAspidosperma album were studied as a good corrosion inhibitor for C38 steel in HClmedia.The corrosion inhibition efficiency on the mild steel surface was monitored viamicro-structural and electrochemical methods.

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PP: 166. A NEW APPROACH FOR DETERMINATION OFRUTHENIUM (III) IN SYNTHETIC SAMPLES

B. S. A. Andrews*, V. D. N. Kumar Abbaraju1 and I. M. Tilakam2

*1Department of Chemistry, GITAM University, Visakhapatnam,Andhra Pradesh, INDIA -045

2Principal, AP Model School, Ponduru, Srikakulam (Dt), Andhra Pradesh, INDIAE-mail: [email protected]

The use of novel indicator reaction has applied to the kinetic determination of Ru(III)in various samples are investigated. This method relies over catalytic effect of analyteon the oxidation of Galamine Blue in acidic media. Depending on very high sensitivityalso selectivity of proposed reaction in presence of Ru(III) by utilizing catalyticefficiency on the oxidation by acidic bromite. The extent of the reaction was followedspectrophotometrically at 520nm by fixed time method. Reaction was found first orderin Galamine Blue and Ru(III). Rate of the reaction is found which inverse dependenceis over hydrogen ion concentration. The pseudo-first order rate constant is measuredby using different temperatures as function of catalyst strength. LOD is 0.95ng/mL.The coefficient of variance and % error were ranging as 0.191- 0.998, 0.20 – 1.00%respectively. Interference studies confirm that the proposed method allowsdetermination of Ru(III) in presence of wide range of cations, including Ir(III) andOs(VIII). Results were compared to those obtained by the officially standardizedmethods. The analytical results obtained were satisfactory even for an untreated sample.



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PP: 167. SYNTHESIS, SPECTRAL CHARACTERIZATIONANTIMICROBIAL AND DOCKING STUDIES OF NANO-SIZEDORGANOTITANIUM(IV) COMPLEXES WITH SCHIFF BASESDERIVED FROM 5-(SUBSTITUTED ARYL)-2-HYDRAZINO-1,

3, 4-OXADIAZOLE AND INDOLINE-2, 3-DIONE

Anupama Srivastava, O.P. Pandey and S.K. Sengupta1Department of Chemistry, D DU Gorakhpur University Gorakhpur, Pin- 273009


Titanium(IV) complexes of type[(ç5-C5H5)2TiCl(L)] have been synthesized by thereactions of bis(cyclopentadienyl)titanium(IV)dichloride with Schiff bases (LH)derived by the condensation of 5-(substituted aryl)-2-hydrazino-1,3,4-oxadiazole andindoline-2,3-dione in tetrahydrofuran in the impendence of triethylamine. All thesecomplexes are soluble in PhNO2, DMF and DMSO.The complexes were characterizedby elemental analyses, electrical conductance, magnetic susceptibility, UV-Vis, IR,1H NMR, 13C NMR, XRD and SEM spectral techniques. Low molar conductancevalues indicate non-electrolytic nature of the complexes. The spectral data indicate 5-coordinate geometry for the complexes. XRD pattern evince that the complexes havemonoclinic crystal system and particle sizes were found in the range 42.32 nm (nano-size). In vitro antifungal activity of synthesized compounds was evaluated againstfungi Aspergillus niger, Aspergillus flavus, Colletotrichum falcatumand In vitroantibacterial activity was determined by screening the compounds against gramnegative (P. aeruginosa, S.typhi) and gram positive (S. aureus and B.cereus) bacterialstrains using minimum inhibition concentration method (MIC) by serial dilutiontechnique. The titanocene(IV) complexes have higher antimicrobial impact than theparent Schiff bases.

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PP: 168. WATER: AN IMPORTANT RESOURCE FOREXISTENCE OF LIFE ON THE EARTH

Ashutosh AbhayResearch Scholar, Dept. of Chemistry, V.K.S. University, Ara


The life on the earth is originated in water and is also sustained by water, hence, wateris an important resource of life.. Neither the world nor we could live if there would beno water. Water is an important resource of living beings existence and economicdevelopment of entire world. The ground water constitutes about sixteenths of onepercent (0.6%). However, 50% of this is practically not available for humanconsumption as it is present at depth more than 1000 meter. Groundwater is the onlysource of water for about 50% of our fellow citizens. In rural areas, almost all thewater supply comes from it. The groundwater is considered as pure, safe and dependableresource in comparison to surface water because it is protected from surfacecontamination by upper soil mantle which removes pollutants. According to a 2007World Health Organisation (WHO, 2007) report, 11 billion people lacs access to animproved drinking water supply, 88 % of the 4 billion annual cases of diarrheal diseasesare attributed to unsafe water and adequate sanitation and hygiene and 1.8 millionpeople die from diarrheal diseases each year.

PP: 169. SOLVENT EFFECT OF AQUO-GLYCEROL MEDIA ONTHE MEDICINAL POTENTIAL OF PROPIONATE ESTER

Kamal Kishor1 and Parshuram Singh21. Research Scholar, Department of Chemistry, V.K.S. University, Ara, Bihar

2. Retd. Professor of Chemistry, Shri Shankar College, SasaramE-mail: [email protected]

The changes observed and evaluated due to the solvent effect of a dipolar protic ordipolar aprotic solvent on the thermodynamic extensive properties of solvolysis ofthe propionate ester have been found responsible for changes in its biochemical andmedicinal properties. With a view to highlight the effect of a polyhydric alcohol(dipolarprotic solvent) on the extensive thermodynamic properties of propionate ester,



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the kinetics of alkali catalysed hydrolysis of ethyl propionate was studied in aquo-glycerol reaction media. From the enhancement observed in ?G* values withsimultaneous decrease in the values of ?H* and ?S* of the reaction, it is inferred thatthe organic co-solvent glycerol acts as entropy controller and enthalpy stimulatorsolvent for alkali catalysed hydrolysis of ethyl propionate.

The numberical value of Iso-kinetic temperature of the reaction which comes to benearly 286.0 (below 300) indicates that there is weak but considerable solvent-soluteinteraction in the aquo-glycerol reaction media.

PP: 170. SYNTHESIS OF GUAR GUM MEDIATED NIONANOPARTICLE: AN EFFICIENT CATALYST FORREDUCTION OF NITROARENES WITH SODIUM

BOROHYDRIDE

Lalit Mohan Dwivedi, Kirti Baranwal and Vandana Singh**Department of Chemistry, University of Allahabad, Allahabad


The synthesis of Guar gum mediated NiO nanoparticle was carried out by chemicalprecipitation method. In this method Guar gum was used as modifier which is makingit an excellent catalyst for reduction of nitroarenes with sodium borohydride. Thesynthesized nanoparticles have been characterized by using XRD, FTIR, UV, SEM,TEM, BET, TGA and DTA. Guar gum mediated NiO nanoparticle was catalyzed forthe reduction of 4 nitrophenol, 4 nitroaniline and 4 nitrobenzoic acid which werereduced in 2, 6 and 7 minutes respectively while NiO required more than 15 minutesto reduce all the three nitroarenes.

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PP: 171. STUDIES ON CURCUMIN-Â-CYCLODEXTRININCLUSION COMPLEXES

Priyanka Arya and Neera Raghav*Department of Chemistry, Kurukshetra University, Kurukshetra-136119,

Haryana (India)E-mail: [email protected], [email protected]

Several drugs have been developed where the lead compound is a natural product.Turmeric is used as traditional medicine for many aliments. Its main active ingredientis curcumin. Curcumin has shown therapeutic efficacy in numerous chronic diseases.One of the disadvantages of curcumin, is limited its physiological activities due to itsinsoluble nature in aqueous medium. It is possible to increase its water solubility byvarious methods and one of them is by forming inclusion complexes with water solublehosts. Inclusions complexes of curcumin with â-cyclodextrin were prepared in differentratios by two different methods. In the present work effects of change in concentrationof curcumin, support and method of preparation on inclusion has been reported.

PP: 172. NOVEL TECHNIQUE FOR CITRIC ACIDBIOPRODUCTION BY ASPERGILLUSNIGERNCIM-715

EXPOSED TO 5,7,8-TRIMETHOXYCOUMARIN

Jai Prakash Kumar* and S. P. SinghDepartment of Chemistry, Magadh University, Bodh-Gaya (Bihar), India


The influence of 5,7,8-trimethoxycoumarin on novel technique for citric acidbioproduction by some fungal strains such as Aspergillus carbonariusNCIM-795,Aspergillus saitoiNCIM-792, Aspergillus usumiiNCIM-779, Aspergillus wentiiNCIM-729andAspergillusnigerNCIM-715 has beenstudied. It has been found that the fungalstrain Aspergillus nigerNCIM-715 was most effective and useful for the higherbioproduction of citric acid. It has been reported that the coumarin, i.e., 5,7,8-trimethoxycoumarin under trial has stimulatory effect on novel technique for citricacid bioproduction by Aspergillus nigerNCIM-715 and enhances the yield of citric



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acid to an extent of 7.790% g/100ml which 11.909% higher in comparison to controlfermenter flasks, i.e., 6.961 g/100mL in 12 days of incubation period, 1.7 pH and310C temperature with 20% (w/v) molasses solution.

PP: 173. CORRELATION ANALYSIS OF REACTIVITY IN THEOXIDATION OF ETHYLENE GLYCOL BY MORPHOLINIUM

FLUOROCHROMATE IN NON-AQUEOUS MEDIA

Bhawana Arora, Jitendra Ojha (Research Scholar) and Dr. Pallavi Mishra*Department of Chemistry, J. N. V. University, Jodhpur - 342001, Rajasthan


The kinetics of oxidation of ethylene glycol by morpholinium fluorochromate (MFC)has been studied in dimethylsulfoxide (DMSO). The main product of oxidation is thecorresponding hydroxy aldehydes. The reaction is first order with respect to MFC andexhibited Michaelis-Menten type kinetics with respect to organic diols. The reactionis catalyzed by hydrogen ions. The hydrogen ion dependence has the form: kobs=a+b[H+]. Various thermodynamic parameters for the oxidation have been reportedand discussed along with the validity of isokinetic relationship. Oxidation of ethyleneglycol was studied in 18 different organic solvents. The rate data are showingsatisfactory correlation with Kamlet–Taft solvatochromic parameters (á, â and ð*). Asuitable mechanism of oxidation has been proposed.

PP: 174. SYNTHESIS, SPECTROSCOPICCHARACTERIZATION AND BIOLOGICAL ACTIVITIES OF

ZINC(II) COMPLEXES WITH SCHIFF BASES DERIVEDFROM BIS-(4-AMINO-5-MERCAPTO-1,2,4-TRIAZOL-3-YL)

ARENE/ALKANES

Arti Vishwkarma and Soumitra K. SenguptaaDepartment of Chemistry, DDU Gorakhpur University Gorakhpur, Gorakhpur-

273009, India

A novel series of binuclear zinc(II) complexes of type [Zn2(L)(H2O)6](H4L= Schiffbases) has been synthesized by the reaction of zinc(II) acetate dihydrate with Schiffbases derived from bis-(4-amino-5-mercapto-1,2,4-triazol-3-yl)arene/alkanes and

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salicylaldehyde/2-hydroxyacetophenone in presence of base. The structures of thesecomplexes were established on the basis of elemental analysis and spectral (IR, 1Hand 13C NMR) studies. The presence of coordinated water in metal complexes wasconfirmed by thermogravimetric analysis. Octahedral geometry for zinc(II) complexeshave been proposed. The powder crystal structures of the complexes have beendetermined by XRD pattern. For surface morphology of the complexes SEM (surfaceelectron microscopy) has been carried out. The in vitro antibacterial and antifungalstudies indicate that the synthesized complexes possess good antimicrobial propertiesagainst different species of pathogenic fungi and bacteria.

PP: 175. SYNTHESIS AND CHARACTERIZATION OF DOPEDPOLYANILINE (PANI) – COPPER OXIDE NANOCOMPOSITES

Supriya Vyas1 and Ashutosh Shukla2

Shri Vaishnav Vidhyapeeth Vishwavidyalaya, Indore, IndiaE-mail: [email protected], [email protected]

Conducting polymers also called ‘organic metals’ have increasing scientific andtechnological interest in the synthesis of a broad variety of promising new materialsdue to their unique electrical, optical and optoelectrical properties as well as the easeof preparations and environmental stability. The formation of polyaniline compositeswith metal oxides provide new synergistic properties that cannot be attain fromindividual materials. Composite formation improves the mechanical properties of PANIand the electrical conductivity can be tailored for a given application. In this paper wereported the synthesis of polyaniline and polyaniline copper oxide nanocomposite.The nanoparticles of copper oxide were prepared by chemical route. Polyaniline –copper oxide nanocomposites have been synthesized by chemical oxidativepolymerization. In this method ammonium peroxydisulphate was used as an oxidizingagent and HCl used as dopant. The processed materials were characterized by usingdifferent techniques like Fourier Transform Infrared Spectroscopy (FTIR), X-RayDiffraction (XRD), Scanning Electron Microscopy (SEM), and Energy DispersiveSpectroscopy (EDAX). The results obtained are promising and enlighten the futureprospectus of the synthesized material. The d.c. electrical conductivities as a function



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of temperature (298-423 K) were measured by four probe technique. Compared toPANI nanoparticles, the electrical conductivity of the composites increased with thepresence of metal oxides in the nanocomposites.

PP: 176. KINETIC RESULTS IN RH(III) CATALYSEDOXIDATION OF ?-AMINO N-BUTYRIC ACID BY ALKALINE

SOLUTION OF HEXACYANO FERRATE (III)

Dr. B.N. Roy1 and Dr. Asha Singh2

1P.G. Department of Chemistry, Gaya College, Gaya2Department of Chemistry, M.S.Y College, Gaya

Kinetics of oxidation of ?-amino N-butyric acid by alkaline solution of hexacyanoferrate(III) in the presence of Rh(III) chloride as catalyst have been investigated. Zero orderkinetic with respect to hexacyanoferrate (III) and first order kinetic with respect to ?-amino N-butyric acid have been observed. Zero order kinetic with respect to hydroxideion have been observed. Increase in temperature show effect on rate of oxidation of ?-amino N-butyric acid. A suitable mechanism with observed kinetic data has beensuggested.

PP: 177. THE ROLE OF INORGANIC ELEMENTS INENZYMES

Dr. Dina Nath Mehta Associate Professor, Department of Chemistry

B. N. M. V. College, Sahugarh, Madhepura (Bihar)-852113 E-mail: [email protected]

Inorganic elements in biological systems are used for very diverse purposes: the carryingof ionic messages, Na, K, Ca, Cl; the triggering of proteins, Ca, P; in structures, Ca, P,Si; in electron transport, Fe, Cu, Mn; and in catalysis, many elements. Each elementhas had its functional potential raised during evolution through association withparticular proteins. In compounds between the elements and proteins two extremeforms of binding have been found, surface and interior binding. Surface binding canbe used in the transport of elements, in message transmission, in structure, and in

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triggering but is limited in its value in catalysis. A difficulty arises since many of thecatalytic elements are held by largely ionic bonds, e.g. most catalytic metal ions, andthey would therefore readily exchange from protein surfaces. Given the low availabilityof most metal ions, catalysts formed from metals and proteins would then dissociate.The catalytic metals are therefore held in the protein interior. A potential limitation oncatalysis by metal ions in proteins and which does not apply to the covalentlyconstrained non—metals. The stipulation of three ligands rises from considerationsof stability constants, such internal sites immediately affect the steric accessibility ofthe metal, i.e. substrate specificity, and introduce strain both in the metal—proteinbonds and in the protein fold, as well as in the dynamics of these bonds and folds.

PP: 178. CYCLICVOLTAMMETRIC STUDY OF 10-[5'-(N-DIETHYLAMINO)PENTYL]-2-CHLOROPHENOXAZINE

(DEAPCP) AND ITS APPLICATIONS IN REDOX TITRATIONSUSING CHLORAMINE-T

T Padmac, B T Sridhara, K N Thimmaiahc, K S Rangappab and M N Kumarad

aDepartment of Chemistry, Maharani’s Science College for Women,Bangalore University,

Bangalore-560001.b Department of Chemistry, Manasagangotri, Mysoore-570006.

cDepartment of Chemistry, Northwest Mississippi Community College/University ofMississippi, DeSoto Center,Southaven, Mississippi 38671, USA

dDepartment of Studies in Chemistry, Yuvaraja’s College, University of Mysore,Mysore-570 005.

10-[5'-(N-Diethylamino)pentyl]-2-chlorophenoxazine (DEAPCP), undergoes areversible one electron oxidation with cerium (IV) to form a pink colored radicalcation in the presence of stoichiometric amounts [DEAPCP:Cerium (IV) 1:1] of thereactant. The radical cation further undergoes a second electron oxidation to form abrownish yellow coloreddication in the presence of more than one equivalent of cerium(IV) which was characterized by UV-VIS, IR and mass spectrometry. The biologicalfunctions of phenoxazines are connected to a great extent with their ability to undergoreversible redox conversion and therefore the electrochemical behavior of DEAPCP



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is investigated by cyclic voltammetry. The cyclic voltommogram of 10-[5'-(N-diethylamino)pentyl]-2-chlorophenoxazine (DEAPCP) exhibited two anodic wavesat 760 mV and 1170 mV and two cathodic peaks at 688 mV and 1020 mV at a scanrate of 50 mV/sec. The peak at 760 mV corresponds to the oxidation of the DEAPCPto the radical cation [DEAPCP .+] and the second anodic peak at 1170 corresponds tothe oxidation of radical cation to dication[DEAPCP2+]. Bromine in acid mediumoxidizes 10-[5'-(N-diethylamino)pentyl]-2-chlorophenoxazine (DEAPCP) to threeproducts as evidenced by the HPLC and the predicted structures based on the massspectral data support the formation of the brominated oxidized products. In order tostudy the analytical applications, the optimum condition for the successful use ofDEAPCP as a redox indicator in the macro and micro estimation of the ascorbic acid,methionine, isoniazid, phenylhydrazine hydrochloride and biotin using chloramine-Tas oxidant have been developed. The indicator gives sharp and stoichiometric endpoints.

PP: 179. STUDY OF LOMATOPHYLLUM SPECIES ANDANTIMICROBIAL EVOLUTION IN THE MASCARENE

ISLANDS

Dr. Ranjit Singh1, Dr. Onkar Nath Barhwalia2 and Gayatri Pandey3

1Head, Deptt. of Chemistry, Sri Shankar College, Sasaram, Rohtas,2Sri Shankar College, Sasaram, Rohtas

3S. P. Jain College Sasaram

Lomatophyllumtormentorii and Lomatophyllum purpureum originate from Mauritius.Lomatophyllummacrum originates from Réunion Island. The three Lomatophyllumspecies are endemic medicinal plants. These endemic Aloes are used in the Mauritianand Réunion Island pharmacopoeia to treat bacterial infections and as antispasmodic.It has been proved that Lomatophyllum species and Aloe vera share some geneticsimilarities. Consequently we report the genetic diversity of the Lomatophyllum speciesby measuring the genetic distance, which they have with Aloe vera. Phytochemicalscreening of the crude extracts showed that alkaloids, anthraquinones, coumarins,phenols, saponins and tannins were present in all samples.

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PP: 180. EFFECT OF CATIONIC MICELLAR CATALYSIS ONTHE HYDROLYSIS OF MONO-2-METHOXY PHENYL

PHOSPHOROMIDE ESTER

Ravi Prakash and R. B. Singh*

Department of Chemistry, B.S.A. College, Mathura-281 004 (U.P.)*Department of Zoology, School of Life Sciences, Dr. Bhimrao Ambedkar

University, Khandari Campus, Agra-282 002 (U.P.)E-mail: [email protected], [email protected]

The imperative in living processes are phosphate esters including the inheritedsubstances like DNA and RNA in addition to AMD cyclic. Phosphate groups wereamong ATP and ADP of indispensable substances in living systems. Phosphates estersare tremendously very important biologically insides the cells. The hydrolysis of mono-2-methoxy-phenlyphosphoramide (mono- 2-MPPA) was studied in micellar solutionsof cetyl trimethyl ammonium bromide (CTABr) at pH 9.0. Hydrolysis was carried outby first order kinetic with respect to mono-2-MPPA concentration. At the concentrationof critical micelle concentration (CMC), the rate of hydrolysis was increased withincreasing the CTABr concentration. The binding constant of micelle for mono-2-MPPA and the rate constant in micelle pseudo phase were determined from kineticdata using the pseudo phase model.

PP: 181. MOLECULAR MACHINES: CURRENT TRENDS ANDFUTURE PROSPECTS

Shweta Kumari and Niwas Singh Department of Chemistry, H D Jain College Veer Kuwar Singh University,

Ara, Pin – 802301E-mail: [email protected], [email protected]

Molecular machine- Molecular machines are tiny energy conversion devices on themolecular size scale. Whether naturally occurring or synthetic, these machines aregenerally more efficient than their macroscale counterparts. They have their ownmechanochemistry, dynamics, workspace, and usability and are composed of nature’s



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building blocks: namely proteins, DNA, and other compounds, built atom by atom.Withmodern scientific capabilities it has become possible to create synthetic moleculardevices and interface them with each other. Countless such machines exist in nature,and it is possible to build artificial ones by mimicking nature. Here we review someof the known molecular machines, their structures, features, and characteristics. Wealso look at certain devices in their early development stages, as well as their futureapplication and challenges.

The noble prize in chemistry in year 2016 was shown by three scientists Prof.Benpesinga, Prof.J.Fraser Stoddart and Prof. Jean Pierre Sauvage for their combination tomolecular machines.This abstract deals with the molecular machine current trendsand future prospect.

PP: 182. STUDIES IN ADDITIVE PROPERTIES OF SOMESUBSTITUTED DRUGS SUCH AS DEXAMETHASONE AND

PHENYTOIN WITH DIFFERENT CONCENTRATION INVARIOUS Media

Ganesh D. Tambatkar, Yeshwant V. Dhanokar and Pratik K Pardhi* Department of Chemistry, Shri.D.M.Burungale Science & Arts College,

Shegaon – 444 203Dist: Buldhana (Maharashtra) IndiaE-mail: [email protected]

The additive properties such as Refractive index, Molar polarizibility and molarrefractivities of some heterocyclic drugs such Dexamethasone i.e. 9-fluro-11β,17,21trihydroxy-16a methyl pregna-1,4–diene, 3,20 dion.Phenytoin 5,5-diphenylimidazolidine-2,4-dione..have been studied in DMSO, DMF and THF mediaat 27±0.10C temperature and concentration. The values of molar refractivity(R) andmolar polarizibility (á) are found to be decreased with decreasing the concentrationof solute.

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PP: 183. KINETICS OF OXIDATIONOF AMITRIPTYLINEDRUG BY CHLORAMINE-T IN ACIDIC BUFFER MEDIA:

SPECTROPHOTOMETRICALLY

Chandrashekar,1 Venkatesha B. M.,2 Ananda. S3 and Ramachandra H.4

1Department of Chemistry, PES College of Engineering, Mandya-571401,Karnataka

2 Department of Chemistry, Yuvaraja’s College University of Mysore, Mysore,Karnataka

3 Department of Studies in Chemistry, Manasagangothri University of Mysore,Mysore, Karnataka

4 Department of Chemistry, PES College of Engineering, Mandya-571401,Karnataka

Kinetics of oxidation of amitriptyline by chloramine-T (CAT) has been studied inacidic buffer medium pH 1.2 at 303K. The Oxidation reaction of amitriptyline wasmonitored by spectrophotometrically at ëmax= 410 nm. The reaction rate shows afirst order dependence on [CAT], [Amitripyline] and inverse fractional orderdependence in [H+]. Addition of chloride and bromide ions and the reduction productof toluenesulphonamide and variation of ionic strength and dielectric constant of themedium do not have any significant effect on the reaction rate. The reaction wasstudied at different temperatures and activation parameters were evaluated.Mechanisms consistent with observed kinetics is proposed.



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PP: 184 SINGLE CRYSTAL STRUCTURE OF A NEWPOLYMORPH OF HIGHLY SYMMETRIC

TETRAPHENYLPORPHYRINATO Zn(II), Zntpp

Padma Dechan 1· Gauri Devi Bajju 1* and Puneet Sood 2

1Postgraduate Department of Chemistry, University of Jammu, Jammu-180006, India2Advanced Materials Research Centre, Block- A2, Kamand Campus, Indian

Institute of Technology, Mandi, Himachal Pradesh, 175005, India

The crystal and molecular structure of a new polymorph of four-coordinated Zn(II)tetraphenylporphyrin, ZnTPP has been determined from three-dimensional X-raydiffraction data. The non solvate complex crystallizes in the tetragonal space group,I4/m. The previous polymorph was crystallized in triclinic space group, P-1. The singlecrystal of toluene solvate, a pseudopolymorph of tetraphenylporphinatozinc(II),ZnTPP·2C7H8 was also crystallized in the triclinic space group, P-1. The porphyrincores of all the three centrosymmetric crystalline forms adopt a planar conformationwhich is attributed to the equivalent size of Zn2+ cation and that of porphyrin core ineach complex. However in contrast to the two previous triclinic structures i.e. toluenesolvate form and non solvate crystalline form, which have two crystallography uniquepyrrole rings, the tetragonal structure in the present form have all the pyrrole ringssymmetric in nature. Also the symmetric orientations of phenyl rings about the meanN4 plane in the present form, unlike the two previous triclinic forms in which phenylrings makes two types of dihedral angles with mean N4 plane reflects that the tetragonalstructure of ZnTPP is the highly ordered geometry. All the four Zn-N bond distancesin the present form are equal i.e. 2.048 (2) Å and is slightly longer than the averageZn-N bond distances found in the previous triclinic forms. The three-dimensionalpacking of present form features sandwich type or face to face stacked layers. Thestacked layers are interconnected by a body centred molecule by various ð...ð and C-H...ð forces. The three-dimensional packing also reflects a greater amount of voidvolume in the tetragonal unit cell of ZnTPP indicating loose packing of ZnTPPmonomers.

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PP: 185. STUDY OF ISOLATION, CHARACTERISATION ANDANTI MICROBIAL ACTIVITY OF HIGH VALUE BIOACTIVECOMPOUND FROM METHANOLIC EXTRACT OF GRASS OF

MOTHA (CYPERUS ROTUNDUS)

Prem Mohan Mishra1 , Veena Mishra2 and Dr Archana Mishra3

1 Professor and Head, Dept. of Chemistry, M. L. S. M. College, L. N. M. U.,Darbhanga, Bihar -846004

Dighi west, Darbhanga, Bihar -8460043All India Institute of Medical Science, New Delhi


In this paper an attempt has been made to highlight the physicochemical study ofmethnolic extract of grass of Motha (Cyperusrotundus) carried out by soxhlet extractionprocess, phytochemical analysis of the extract. The methanolic extract of grass of theplant (in tropical conditions of Mithilanchal, Bihar, India) reveal the presence ofphytochemicals such as alkaloids, flavanoids, tannins, saponins, cardiac glycosides,steroids, phenol, protein, lipid, acids carbohydrates etc. The secondary metaboilitiesshowed Antimicrobial activity. The two isolated compounds from grass werecharacterised by spectroscopic techniques which revealed the structure of compoundA as n–dotriacontan–15–one and compound B as n–hexadecanyl oleate.

PP: 186. SYNTHESIS, ANTIOXIDANT ACTIVITY STUDY OFSOME BIS (INDOLYL)METHANES DERIVATIVES THROUGH

ONE-POT REACTION

Anil Kumar Bahe and Ratnesh Das*Department of Chemistry, Dr. Hari Singh Gour Vishwavidyalaya

(A Central University) Sagar, M.P., India- 47000E-mail: [email protected], [email protected]

The reaction of indoles with a variety of aromatic aldehydes in the presence of 5mole%Benzensulfonic acid in acetonitrile to excellent yields of bis (indolyl)methanesderivatives at room temperature using conventional process. All the synthesized



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compounds were evaluated for antioxidant activity by DPPH. The all synthesizedcompounds were characterized by UV, IR, NMR, and Mass spectroscopic technique.The synthesized molecules are characterized by melting point, FTIR, 1H, and 13C NMRand the obtained results are verified by comparing the same with literature reportedcharacterizations.

PP: 187. ECO-EFFICIENT SYNTHESIS OF SOME HYBRIDS OFBIOLOGICALLY POTENT HETEROCYCLES

Suresh Kumar, Sanjeev Kumar and EktaDepartment of Chemistry, Kurukshetra University Kurukshetra-136119

Email: [email protected]

Pyrazole, coumarin, benzofuran heterocycles are well known for their potency invarious biological activities and are the part of many existing drugs. Hybrids of theseheterocycles are the centre of interest for the chemists these days. Here we havesynthesised some hybrids of biologically potent heterocycles using one pot eco-efficientroute. Benzofuran-3(2H)-one-pyrazolehybrids have been synthesised in a single potby straight forward one pot reaction of 2-hydroxyphenacylchloride with differentsubstituted pyrazole aldehydes under solid phase grinding conditions. This methodavoid the prior cyclisation of 2-hydroxyphenacylchloride to benzofuran-3(2H)-one.Similarly 3-(2-bromoacetyl)-4-hydroxy-2H-chromen-2-one were reacted withdifferently substituted benzaldehydes under similar conditions to give 2,3-dihydrofuro[3,2-c]coumarin-3-one a fused hybrid of coumarin and furan.

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PP: 188. DFT STUDIES ON STRUCTURE, SPECTROSCOPICPROPERTIES AND REACTIVITY OF Á, Â-UNSATURATED

ESTERS; APPLICATION IN PREDICTION OF THEIRREACTIVITIES WITH C-PHENYL-N-METHYL NITRONE

Anindita Ghosh*1, Avijit Banerji2, Julie Banerji2, Chinmay Kumar Panda1

1Chittaranjan National Cancer Institute, Kolkata 7000262 Retired Professor, Department of Chemistry, University College of Science,

University of Calcutta, Kolkata 700009E-mail: [email protected]

á,â-Unsaturated esters constitute an important class of compounds. These undergoDiels-Alder and [3+2]-cycloadditions, Michael additionsand related reactions involvingnucleophilic attack at the β-position. Reactions of á,â-unsaturated esters can providesynthetic routes to complex potentially bioactive compounds.Calculations regardingtheir molecular geometries, frontier orbital energies and reactivity indices are of valuein analysing and predicting their reactivity and selectivity profiles. Computations atDFT/B3LYP/ 6-31++G(d,p) level of theory have been carried out for simple α,β-unsaturated esters, viz. methyl acrylate, methyl cinnamate {E- and Z}, dimethylmethylene malonate and dimethyl benzylidene malonate. Optimised geometries,electrostatic potential maps,FMO energies, electronic chemical potentials, chemicalhardness, chemical softness, global and local electrophilicity indices and Fukui indiceshave been calculated. The preferred configurations and conformations of a number ofá,â-unsaturated esters have been predicted theoretically by detailed comparison ofthe computed GIAO nuclear magnetic shielding tensors and experimentally recordedchemical shift values. Fundamental vibrational modes have been assigned bycomparing the theoretically computed and experimental frequencies. Thermodynamicparameters are also presented. [3+2]-cycloaddition of nitrones to á,â-unsaturated estersconstitute an important route to isoxazolidine rings, which can act as templates forthe synthesis of more complex molecules. The calculated reactivity indices havebeen used to predict regioselectivities of [3+2]cycloaddition of these unsaturated estersas dipolarophiles with C-phenyl-N-methyl nitrone.



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PP: 189. INTERFACIALLY POLYMERIZED POLYANILINE/GRAPHENE OXIDE NANOCOMPOSITE VOLTAMMETRIC

SENSOR FOR ELECTROANALYSIS OF Â-ESTRADIOL

Apresh PremiSchool of Studies in Chemistry, Jiwaji University, Gwalior – 474011, India


The estrogen â-estradiol (E2)was electroanalyzed at polyaniline/graphene oxidenanocomposite voltammetric sensor. The fabricated sensor was characterized byvarious spectroscopic, electrochemical and morphological techniques. The developedvoltammetric sensor under optimized conditions shows the linear response for E2 forits oxidation over a concentration range from 1.00ìg mL-1 to 3.00ìg mL”1 with acorrelation coefficient of 0.9950 (r2), LOD of 1.98ng mL”1 and the LOQ of 6.61ngmL-1. The sensor shows a superb performance for detection of â-estradiol withreproducibility of 3.88% RSD. The proposed method has been successfully appliedfor â-estradiol determination in pharmaceutical formulation with a recovery from 95.67% to 98.33 %.

PP: 190. A GREEN CHEMISTRY APPROACH TOWARDSSYNTHESIS OF DIHYDROPYRIMIDINONES/

THIOPYRIMIDINONES USING DRAGON FRUIT(HylocereusUndatus, THE WHITE-FLESHED PITAHAYA) JUICE

AS CATALYST BY GRIND STONE TECHNIQUE

Y.I.Shaikh*, Vaishnavi Salgar, A.R. Shaikh and G. M. NazeruddinDepartment of Chemistry, Abeda Inamdar Senior College, Pune-411001,

Maharashtra, India.E-mail: [email protected]

In the present work Biginelli reaction was accomplished just by grinding equimolarquantities of ethyl acetoacetate, Urea/thiourea and aryl aldehyde with Dragon fruit(HylocereusUndatus, the white-fleshed Pitahaya) juice (pH around 4.5) as a catalyst for10 to 15 minutes at ambient condition. The crude product was recrystallized by ethanol.

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This protocol is a greener approach for organic transformations, thus facilitating efficientsynthesis of bioactive compounds in environmentally benign way with shorter reactiontime, mild reaction conditions, and easy workup with excellent yield of the product.

PP: 191. A SIMPLE, CONVENIENT DRAGON FRUIT(HYLOCEREUSUNDATUS, THE WHITE-FLESHED PITAHAYA)

JUICE CATALYZED SYNTHESIS OF BISCOUMARINS BYGRINDSTONE TECHNIQUE: A GREEN CHEMISTRY

APPROACH

A. R. Shaikh, Aditi A. Bhosale, G. M. Nazeruddin and Y. I. Shaikh*Department of Chemistry, Abeda Inamdar Senior College, Pune-411001,

Maharashtra, India.

We wish to report here with synthesis of derivatives of biscoumarin just by grinding 2mole of 4-hydroxy coumarin with 1 mole of various aromatic aldehydes in the presenceof freshly prepared Dragon fruit juice (HylocereusUndatus the white-fleshed Pitahaya)as a catalyst in the aqueous medium for 10 to 15 minutes at ambient condition. Thecrude product was recrystallized by ethanol. This protocol is a greener approach fororganic transformations, thus facilitating efficient synthesis of bioactive compoundsin environmentally benign way with shorter reaction time, mild reaction conditions,non hazardous easy workup, with excellent yield of the product.

PP: 192. BENZENESULFONAMIDE BEARING 1,4,5-TRISUBSTITUTED-1,2,3-TRIAZOLE SCAFFOLDS AS

TUMOUR-ASSOCIATED HUMAN CARBONIC ANHYDRASEIX AND XII INHIBITORS

Kiran Siwach and Pawan K. Sharma*Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana-136119


Carbonic anhydrases (CAs) are omnipresent metalloenzymes which catalyze thereversible hydration of CO2 to bicarbonate and protons. The á-class of human CAscomprises of fifteen isoforms including tumour associated isoforms (hCA IX and



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XII) which are valuable markers for cancer and are selectively targeted for designinganticancer drugs. Motivated by the scope of sulfonamide based heterocyclic inhibitorsof hCA IX and XII as anticancer agents, we envisaged to synthesize a series of 1,4,5-trisubstituted-1,2,3-triazoles bearing benzenesulfonamide. The envisioned compoundshave been synthesized and characterized by spectral analysis and are under theevaluation of hCA IX and XII inhibition activity.

PP: 193. PREPARATION, CHARACTERIZATIONS AND USAGEOF MODIFIED NANO CELLULOSE AS SUSTAINED RELEASE

DRUG DELIVERY SYSTEM

Manishita Rani and Neera Raghav*Department of Chemistry, Kurukshetra University, Kurukshetra (136119), India

E-mail: [email protected], [email protected]*

Cellulose is most abundant, rich and renewable biopolymer on Earth and cellulosederived products are extensively used in pharmaceutical industry. We have donepreparation of NCP from cellulose, its modification and usage as drug delivery excipientfor sustained release of non-steroidal anti-inflammatory drugs (NSAID). It was thenmodified with a cationic surfactant cetyltrimethylammonium bromide (CTAB) to getenhanced surface area and high aspect ratio. Prepared CTAB-NCP was investigatedtoward its potential as excipient for sustained release of NSAID. NSAID-CTAB-NCPacted as effective sustained release drug delivery system (DDS) for 3h as compared torespective NSAID when screened toward serum protein protecting activity.

PP: 194. COMPARATIVE STUDY OF ISOMERIC YITTRIUM(III) 3-BROMO LAWSONATE AND 3-BROMO JUGLONATE

Mrudula Wadekar*, S. Suryavanshi , V. P. Shinde, Abhaysinh KadamY.M. College, BharatiVidyapeeth (Deemed to be University), Pune – 411038


3-Bromolawson (I) and 3- Bromojuglone (II) are the two isomeric ligands belongingto the juglone series. Both these possess (a) Strong chlelating ability (b) Specificanalytical applications (c) Remarkable anti-microbial activity.

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The Bromolawsonates are five membered ring chelates while the correspondingisomeric 3- Bromojuglonates are six member ring chelates. This type of isomerismhas been characterized as “ring isomerism”. A comparative study of these isomericchelates with an object to assess the effect of ring isomerism on various physical,chemical, structural and microbiological properties is of special interest for thecoordination chemists.

In this communication, we would like to report our work on the isomeric Yittrium(III) chelates of these two ligands which include (a) synthesis and characterization ofthe ligands and their La(III) chelates (b) chemical characterization of these chelatesand (c) structural investigations based on modern instrumental techniques like IR andUV spectroscopy, TG/DTG, XRD etc., with special reference to study the effect ofring isomerism.

PP: 195. SYNTHESIS, SPECTRAL AND ANTIOXIDANTSTUDIES OF DIVALENT TRANSITION METAL CONTAINING

TETRAAZA MACROCYCLIC COMPLEXES

J. Kumar1 and R. Kumar1

Department of Chemistry, Kurukshetra University, Kurukshetra, 136119(Haryana), India

Mobile No.: 9466747111; E-mail : [email protected]

Transition metal macrocyclic complexes are of great interest for scientists due to theirbiological importance. With, this view some Co(II), Ni(II) and Cu(II) macrocycliccomplexes were synthesized by using template method i.e. by condensation of ethylenediamine and dibenzoylmethane in presence of divalent metal salts. These complexesmay be represented as [M (C34 H32 N4 ) X2]; where M= Co(II), Ni(II) and Cu(II) and X= Cl-, NO3

- and CH3COO-. These complexes were characterized using various phsico-chemcal techniques. Further, these complexes were also evaluated for their antioxidantactivity and some of the compounds were found to have remarkable antioxidantproperty.



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PP: 196. IMPACT OF PEGLYTION ON CYTOTOXICITY OFDIFFERENT METAL NANOPARTICLES

Shanti Ganapa, Madhuri Sharon, Ketankumar A Ganure and Pramod P DesaiWalchand Center for Research in Nanotechnology and Bio-Nanotechnology (wcRnb),

Walchand College of Arts and Science, Solapur-413006 Maharashtra, India.

In the present work, synthesis of well dispersed nanoparticles (NPs), with differentsizes have been synthesized in water by using different precursors. Coating the surfaceof the NPs with polyethylene glycol (PEG) is commonly used approach for improvingthe efficiency of drug for targeted delivery. Functionalised polyethylene glycol-basedthiol polymers (mPEG-SH) were used to stabilise the pre-synthesised NPs. SuccessfulPEGylation of the NPs was confirmed by UV-Visible spectroscopy (UV) and physicalcolour change observation. PEG coating of the NPs was found to be key to theircolloidal stability in high ionic strength media. Our results show that PEG-NPs wereshown to be stable in biological fluids making these NPs attractive for further studies.

PP: 197. NANO CRYSTALLINE PR-DOPEDFERRITENANOPARTICLES WITH MAGNETIC PROPERTIES

FOR ENVIRONMENTAL APPLICATIONaVaibhav P Jawale, bDinesh B Ganure, aOnkar J Kewate, aMaheshwar Sharon

and Ketankumar A Ganure*aWalchand Center for Research in Nanotechnology and Bio-Nanotechnology (wcRnb),

Walchand College of Arts and Science, Solapur-413006 M.S IndiabDepartment of Electronics, Walchand College of Arts and Science, Solapur-

413006 M.S IndiaE-mail: [email protected]

High surface to volume ratio in ferrites results novel phenomena of nano-magnetismsuch as superparamagnetism, magnetic quantum tunnelling and spin-glasslikebehaviour, attracting the science community. Magnetic nano ferrites are one of suchimportant magnetic oxides with tuneable magnetic properties.The ferrite nanoparticlesare synthesized by a simple micro emulsion method .The samples were annealed at

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650 °C for 4 hours to obtain homogeneous powder of ferrite sample. The sampleswere characterized by using X-ray diffraction (XRD), Scanning Electron Microscope(SEM) and Fourier Transform Infrared Spectroscopic (FTIR) measurements.Themagnetic properties of the sample were investigated by Vibrating SampleMagnetometer (VSM) measurements.The synthesized nano ferrites were used asadsorbent for removal toxic dye reactive orange (RO) from water and its easy magneticserration process is explored. In addition to environmental application, this nano ferriteswith such an appreciable magnetic moment along with its electrical properties will bea candidate material for different applications in electronics and exploring itsfunctionality in the field of recently developing semiconductor device physics andspintronics.

PP: 198. SILICA GEL CATALYZED AN INTERESTING,EXPEDITIOUS AND EFFICIENT SYNTHESIS OF BIACETYLBIS-HYDRAZONE SCHIFF BASES UNDER SOLVENT-FREE

CONDITIONS

Garima Sumran a,* and Mona Hoodab

a Department of Chemistry, D. A. V. College (Lahore), Ambala City 134 002,Haryana, India

b Department of Chemistry, Kurukshetra University, Kurukshetra 136119,Haryana, India

E-mail address: [email protected], [email protected]

Solvent-free organic synthesis involving grinding is a valuable strategy in greenchemistry owing to benefits of an efficient, economic and environmental friendlyreaction. Schiff bases, structurally containing an imine or azomethine group (–C=N–), are an interesting class of compounds derived from an amino and carbonylcompound.These have wide utility as catalysts, partner in Staudinger and hetero Diels-Alder reactions, pigments and dyes, polymer stabilizers, corrosion inhibitors, fungicidesand agrochemicals. Bis-Schiff bases as privileged ligands coordinate to metal ionsvia azomethine nitrogen and are grabbing the attention in the field of coordinationchemistry and bioinorganic chemistry because these compounds are potentially capableof forming stable complexes with metal ions. Moreover, Schiff base ligands due to



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their coordination versatility have utility in supramolecular chemistry. Schiff basemetal complexes are endowed with potential therapeutic activity such as antitumor,antiviral, antiprotozoal, antibacterial or antifungal agents. An expeditious andoperationally simple reaction between 3-hydrazonobutan-2-one oxime (1) and differentsubstituted benzaldehydes (2) in presence of silica afforded an unexpected product,biacetyl bis-hydrazone Schiff bases (5) on grinding in a mortar at room temperatue,instead of expected product 3-(aryl)methylenehydrazonobutan-2-one oxime (3). Mildreaction conditions involving recyclable mineral support silica, environmentally benignand excellent yield in short reaction time are remarkable advantages of this protocol.Products were characterized by IR and NMR (1H and 13C) studies.

PP: 199. 1,2-NAPHTHOQUINONE DIOXIMATE OF Mo(VI) ANDW(VI)

V.B. Jadhav1, V.V. Dhapte1 and R.D. Kankariya2

1Bharati Vidyapeeth (Deemed to be University), Yashwantrao Mohite College ofArts, Science and Commerce, Pune.

2Pratibha College of Commerce and Science, Chinchwad, Pune

1,2-Naphthoquinone dioximates of Mo (VI) and W (VI) have been synthesized byfollowing the standard procedure established in our Laboratory which involvesinteraction of ligand solution in ethanol (10-2M) with Mo (VI) and W (VI) solutions inwater (10-2M) mixed in the appropriate quantities. The products have been isolated insolid state and analyzed chemically to establish their molecular composition. Molecularstructures of the synthesized chelates have been studied with the help ofthermogravimetry, solid state infrared spectra in nujol mull recorded in the region4000-400 cm-1 and electronic spectra in ethanol recorded in the region 200-700 rm.The results of chemical analysis, thermogravimetry, infrared and electronic spectraare employed to throw light on their molecular structures.

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PP: 200. VALUE OF MEDICINAL PLANTS RESOURCESAMONG FARMERS OF ERODE DISTRICT, TAMIL NADU

STATE

T. Sundari1,* and V. Balakrishnan2

1Department of Chemistry, K. S. R College of Engineering, Tiruchengode-637215,Tamilnadu, India.

2PG and Research Department of Botany, Aringnar Anna Government Arts College,Sanyasikaradu, Namakkal-637002 Tamilnadu, India.


Tamilnadu is one among state in India. Agriculture practices is a major role in the stateespecially Kongunadu region. Erode district is culturally significant district in Tamilnadufor agriculture and industry. We identified the medicinal plant resources forethnoveterinary aspects through farmers community of Erode district. Medicinal plantresources such as leaves, stem, fruits, roots, seeds, succulents are commonly used in theform of extracts, decoctions and powders to cure various diseases and improve animalhealth care systems. The medicinal plant species botanical name, family, parts used,vernacular name, cure the diseases and mode of preparation are provided. Totally seventymedicinal plant species were recorded in Erode district for ethnoveterinary practices.

PP: 201. SPECTROSCOPIC (FTIR, FT-RAMAN) ANALYSISAND DFT CALCULATIONS OF 2-CHLORO-3-HYDROXY-4-

METHOXYBENZALDEHYDE

Seema1, Vishrut Chaudhary2 and Jayant Teotia3

1Associate Professor, Department of Chemistry, Meerut College, Meerut, U.P., India1Assistant Professor, Department of Chemistry, D.N. College, Meerut, U.P., India

1Assistant Professor, Department of Physics, D.N. College, Meerut, U.P., IndiaE-mail: [email protected]

In the present work, FTIR and FT-Raman spectra of 2-chloro-3-hydroxy-4-methoxybenzaldehyde (2,3,4-CHMB) have been investigated for the first time. FTIRand FT-Raman have been recorded in the region 4000-400 cm-1 and 3500-100 cm-1



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respectively. The molecular geometry, vibrational frequencies and intensity of thevibrational bands of 2,3,4-CHMB in the ground state were calculated by using the abinitio (HF) and DFT levels of theory with 6-31+G(d,p) and 6-311++G(d,p) as basissets. The harmonic vibrational frequencies were calculated and the scaled values havebeen compared with experimental FT-IR and FT-Raman spectra. The calculated resultsare found to be in good agreement with observed spectra.

PP: 202. ALLELOPATHIC EFFECT OF AQUEOUS EXTRACTOF STEM OF PLANT BAUHINIA VAHLII

Manish Sahu and R. N. YadavaDepartment of Chemistry, Dr. H. S. Gour Vishwavidyalaya, Sagar, 470003, M.P. India


Bauhinia vahlii belongs to family Leguminosae commonly known as Mahalan orMahul in hindi. Bauhinia vahlii is immense climber shrub distributed throughoutIndia in hilly districts. The seed possesses tonic and aphrodic properties. Leaves aredemulcent and mucilaginous. Bark is useful for skin diseases and pod taken orally asantidiarrhoeal and antidysentery. The present work deals with the allelopathic effectof aqueous extract of stem of Bauhinia vahlii on germination of seed and shootlength of Vigna radiata.

PP: 203. SYNTHESIS, CHARACTERIZATION ANDBIOCHEMICAL PROPERTIES OF NICKEL AMINO ACIDS

(GLYCINE, VALINE, SERIN) COMPLEX

Ruchi Dwivedi1, Namrta Dwivedi, I.P. Tripathi and Neha VermaFaculty of Science and Environment, Mahatma Gandhi ChitrakootGramodaya

Vishwavidyalaya Satana (M.P.)E-mail: [email protected]

Nickel(II) complex with amino acids (glycine, valine, serin ) have been synthesizedwith the aim of developing antioxidant activity, potential ant diabetic agents. Weresynthesized complex and characterized using element analysis, molar conductance,UV-Visible, IR Spectroscopy and electrochemical studies by CV. Studies on the radical

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scavenging activity are performance using DPPH and ABTS substrate and analysis ofant diabetic activity by alpha glycosidase inhibition was examine it was shown.L-Serin amino acid was the good antioxidant and ant diabetic activity in comparison toothers amino acids while VO-Lysine demonstrates the valuable antioxidant properties.Further we concluded that there no significant correlation between antiradical andantioxidant compounds.

PP: 204. STUDIES OF SOME BINUCLEAR TRANSITIONMETAL COMPLEXES OF BIOLOGICAL IMPORTANCE

Anju K. Gupta1, S. Prakash2 and D. Prakash2

1P.G. Department of Chemistry, A.N. College, Patna.2Department of Chemistry, Patna University, Patna.

The study of binuclear complexes is extensive and its applications in areas such asmetalloenzymes, homogeneous catalysis, electrical conductance and magneticexchange processes have been comprehensively reviewed. Also studies on coordinationchemistry of these binuclear complexes indicate their possible role in plant as well asanimal metabolism. Interaction of these metal ions with naturally occurring substratesshows the active transport of these ions across the cell walls in plants and animals. Inthe present research, we have synthesized and investigated some binuclear complexesof copper(II) and nickel(II) with alkali metal salts of thiocyanate and perchlorate withthe help of infrared spectra, electronic spectral studies and magnetic momentmeasurements. The infrared spectral studies suggest that the coordination with thealkali metal ion occur through the oxygen atom of the phenolic group of the transitionmetal chelate of 2-Hydroxy-1,4-naphthaquinone, 5-Hydroxy-1,4-naphthaquinone and1-Hydroxy anthra quinone.



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PP: 205. PREPARATION, CHARACTERIZATION,OPTIMIZATION AND ANTIMALARIAL EFFICACY OF

CHLOROQUINE PHOSPHATE-LOADED-PLGANANOPARTICLES FOR TREATMENT OF MALARIA

Bharat Patel*, Satyendra Tripathi, Shandhya Shroti and Archna PandeyDepartment of Chemistry, Dr.H.S. Gour Central University Sagar (M.P.) India


Various strategies to deliver antimalarial drug using nanocarrier have been evaluated.However, taking into account the peculiarities of malaria parasites, the focus is placedmainly polymer-based PLGA nanocariers. Our purpose of the study is to developchloroquine phosphate-loaded-PLGA nanoparticles prepared by emulsion solventevaporation method using PLGA of molecular weight (Mw.) 19000 and 110000 Da.,DCM and surfactant PVA solutions. Amount of polymer, organic solvent and surfactantwas selected as formulation variable. Characterization of the nanoparticles wasperformed by measuring particle size, zeta potential, surface morphology, drugentrapment efficiency, in-vitro drug release, %yield and stability. Biodegradablenanoparticles have been used frequently as drug delivery vehicles due to itsbioavalability, better encapsulation, control release and less toxic properties. Thenanoparticles were characterized by applying X-ray differaction (XRD), Dynamic lightscattering (DLS), atomic force microscopy (AFM), differential scanning Calorimetry(DSC), scanning electron microscopy (SEM), transmission electron microscopy(TEM)and FTIR. The encapsulated drug was dissolute and experimental data wherefitted to kinetic models (korsemerey-peppas model, Hixson-crowell model, Higuchimodel etc.).Negatively charged and spherical smooth surface nanoparticles of sizerange 140.9±2nm,PDI 0.430±0.032,entrapment efficiency of 76.63±3.7%,zeta potentialof -30.3 and % yield of 94.34±1.4%.So,thise nanoparticles might have potential ofapplication as therapeutic anti-malerial agent. Dissolution data shows that nanoparticlesof antimalerial drug follow zero-order kinetics with non-Fikinian diffusion.

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PP: 206. Potentiometric Studies of Complex Equlibria of CaII, MgII

and ZnII with 5-Sulphosalicylic Acid in Cationic Micelles of CTAB

Malla Ramanaiah*Department of Chemistry, Aditya Institute of Technology and Management, Tekkali-

532201, A.P., India.*E-mail: [email protected]

Formation of metal ligand complex species of 5-sulphosalicylic acid with CaII, MgII

and ZnII metal ions have been studied potentiometrically in various compositions (0.0-2.5% w/v) of cetyltrimethylammonium bromide (CTAB). The study has been carriedout at 303 K temperature and maintaining 0.16 mol dm-3 ionic strength using NaCl.The best fit of complex speciation has been preferred on basis of statistical parameterslike skewness, ÷2, Kurtosis and crystallographic R-factor. The change in stability ofcomplex species with composition of the surfactant has been illustrated on the basiselectrostatic grounds.



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PP: 207. NITROALKANE-MEDIATED RING CONTRACTIONOF 2H-PYRAN-2-ONES/2-OXOBENZO[H]CHROMENES

THROUGH DENITRATION: AN EFFICIENT SYNTHETICROUTE TO FUNCTIONALIZED BUTENOLIDES AND

SPIROBUTENOLIDES

Amr Elagamy and Ramendra Pratap*Department of Chemistry, University of Delhi, North Campus, Delhi, India-110007


Butenolides are a class of lactones, considered as oxidized derivatives of furan withstructure made of four carbon heterocyclic ring called furan-2(5H)-ones. A broad rangeof natural products and biologically activitie compounds contain butenolides structuralas subunits. A facile synthesis of highly functionalized butenolides/spirobutenolideswere carried out through nitroalkane carbanion induced ring opening andrelactonization thorugh denitration reaction of 2H-Pyran-2-ones/2-oxo-5,6-dihydro-2H-benzo[h]chromene-3-carbonitriles. The isolated butenolides/spirobutenolides ontreatment with sodium ethoxide in DMF at room temperature provided highlysubstituted trienes via decarboxylation.

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PP: 208. SYNTHESIS OF SUBSTITUTED 4H-1, 4-BENZOTHIAZINES AND THEIR CONVERSION INTO

SULFONES

Rakesh Kumar YadavDepartment of Chemistry, L.B.S. Govt. P.G. College, Kotputli-303108


Substituted 4H-1, 4-benzothiazines are synthesized by condensation followed byoxidative cyclization of substituted 2-aminobenzenethiols with b-diketones/b-ketoesters in presence of dimethylsulfoxide. Substituted 4H-1,4-benzothiazine sulfoneshave been prepared by the oxidation of 4H-1,4-benzothiazines with 30% Hydrogenperoxide in glacial acetic acid. The structures of the synthesized compounds havebeen established by elemental analysis and spectroscopic data.

Envir

PP: 209. INTERACTIONAL STUDIES OF BINARY MIXTURES,IMIDAZOLIUM BASED IONIC LIQUIDS AND 1,2-

PROPANEDIOL WITH THE HELP OF DIFFERENT SPECTRALTECHNIQUES

Bhupinder Kumar1 and Amalendu Pal2

1Department of Applied Sciences, CTIEMT, CT Group of Institutions, Jalandhar-144020, Punjab, India

2Department of Chemistry, Kurukshetra University, Kurukshetra-136119, India

Different binary mixtures have been prepared using room-temperature ionic liquids(RTILs) viz. 1-butyl-3-methylimidazolium tetrafluoroborate [C4mim][BF4], 1-butyl-2,3-dimethylimidazolium tetrafluoroborate [C4mmim][BF4] and 1-butyl-3-methylimidazolium octylsulfate [C4mim][C8OSO3] with 1,2-propanediol. Assortedtechniques like nuclear magnetic resonance, FT-IR have been used to analyze themicroscopic behavior of all the binary mixtures for the whole composition range. Allthe data that we have obtained using these techniques further used to analyze different



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interactions as (i) cation and (ii) anion of ionic liquid. These techniques have beenused to scrutinize the molecular level interactions between the binary mixtures andvery valuable to spot the influence on the structural alterations in the ionic liquid.

PP: 210. [HYDROXY(TOSYLOXY)IODO]BENZENEMEDIATED SYNTHESIS OF 3-[1-ARYL-2-

MERCAPTOIMIDAZOL-4-YL] COUMARIN DERIVATIVESUNDER SOLVENT FREE CONDITION

Manoj Kumar*a, Rajesh Kumarb and Om Prakashc

aDepartment of Chemistry, Govt. National College, Sirsa 125055, Haryana, IndiabPost Graduate Department of Chemistry, M. L. N. College, Yamuna Nagar

135001, Haryana, IndiacDepartment of Chemistry, Kurukshetra University, Kurukshetra 136 119,

Haryana, India

á-Tosyloxy ketone 2 obtained by oxidation of enolizable ketone 1 using[hydroxy(tosyloxy)iodo]benzene in chloroform which on grinding with varioussubstituted anilines in the presence of anhydrous potassium carbonate in a mortarfollowed by treatment with potassium thiocyanate and p-toluenesulfonic acid in theabsence of solvent to give imidazolylcoumarin derivatives 5 in high yield.

PP: 211. GC- M0S ANALYSIS OF STELLARIA MEDIA L.( VILL.)CHICKWEED CHLROFORM EXTRACT

Pooja Chak, Meenu Devi and Dr. Jaya DwivediBanasthali Vidyapith, Rajasthan


Phytochemical composition of n-butanol fraction of stellaria media (Chickweed) wascarried out using Gas chromatography Mass Spectrometric (GC-MS) analysis. Theair dried plant material were powdered and weighed hundred gram of plant powderwas extracted in 90% methanol using in cold maceration and concentrated in a rotaryevaporator and selective partioning of using solvents of increasing polarity namely, n-hexane, chloroform, ethyl acetate and n-butanol to obtain four different fraction. Each

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of the fractions was further subjected to gas chromatography–mass spectrometry.Results of the study revealed the presence of diverse range of bioactive moieties. Thus,identification of different biologically active compounds in the extracts of plant materialwarrants further biological and pharmacological studies.

PP: 212. SYNTHESIS, SPECTRAL CHARACTERIZATION ANDANTI-DIABETIC ACTIVITY EVALUATION OF NEW

PHOSPHORAMIDATE DERIVATIVES

D. Ravikumar1, CH. Subramanyam,1† CH. Venkataramaiah,2 W. Rajendra2

and K. Prasada Rao1

1Department of Chemistry, Bapatla Engineering College, Bapatla - 522101, India.2Division of molecular biology, Department of Zoology, Sri Venkateswara

University, Tirupati, A. P.,India.E-mail: [email protected]

Type 2 diabetes mellitus (T2DM) is a metabolic disorder caused primarily through insulinresistance and obesity. It is currently renowned as a major health problem worldwideand affects adults of working age in developing countries.[1] Conventional cure methodsconsist of numerous oral hypoglycemic agents. However, none of these agents sustainglucose levels forever and mostly without toxicity. Hence, researchers are looking forwardto better options in novel drug development for T2DM. Phosphoramidates (PRs) are themajor class of organophosphorus compounds containing P-N functionality and arestructural analogs to phosphates.[3] Recent reports shown that PRs exhibit a broad rangeof biological activities and could be used as prodrug moieties to improve the therapeuticpotential of the parent drug. [4,5] In the present work, a series of new phosphoramidatederivatives were conveniently synthesized by using 4-chlorobenzene-sulfonyl chlorideas preliminary material via substituted sulfonamides as intermediates with high yieldsin a short period by conventional and microwave irradiation techniques. All thesynthesized compound were characterized by spectral and elemental analyses. An insilico molecular docking studies were performed to find potent anti-diabetic drugs. Invitro anti-diabetic activity of the title compounds was also screened by standard á-amylaseinhibition assay. Some of the tested compounds proved to possess promising activitywhen compared with reference drug



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PP: 213. SCHIFF BASES: A POTENT CORROSION INHIBITORFOR METALS

Sheerin MasroorDepartment of Chemistry, Anugrah Narayan College, Patliputra University,

Patna, 800013, Bihar.

Series of schiff base surfactants were synthesized and characterized using FTIRspectrum and 1H NMR spectroscopy. The corrosion inhibition effect of the synthesizedsurfactants on carbon steel in acidic media was studied by potentiodynamic polarization,weight loss measurements and theoretical chemical calculations. The adsorption ofthe synthesized inhibitors was well described by the Langmuir adsorption isotherm.Effect of temperature on the inhibition efficiency of the corrosion process was studiedand the values of activation energy, enthalpy of activation and entropy of activationwere calculated and explained. The protective film formed on the carbon steel surfacewas extensively studied by scanning electron microscopy (SEM) and energy dispersiveanalysis of X-rays (EDX) techniques.

PP: 214. PALLADIUM NANOPARTICLES ANCHORED ONTHE DIAMINE FUNCTIONALIZED GRAPHENE OXIDE AS AN

EFFICIENT AND REUSABLE CATALYST FOR THEOXIDATIVE AMINATION OF ALDEHYDES VIA C-H BOND

ACTIVATION

Digvijay Sah and Subho Mozumdar*Department of Chemistry, University of Delhi, North campus, Delhi-110007, India


Nowadays, the whole world’s worried from fast growing chemical releases in directlyto the environment. The development and use of heterogeneous catalyst known forenvironmental friendly nature as compared to the homogeneous catalyst. The ease ofhandling, simple work-up procedure, re-generability and reusability of the catalystare the main feature of the heterogeneous catalyst. The heterogeneous catalyst withefficient catalytic activity has the ability to control the unnecessarily use of organic-inorganic chemicals. Graphene has attracted great interest for a fundamental

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understanding of its unique structural and chemical properties and also for importantpotential applications in the field of catalysis. The successively treatment of grapheneoxide with chloroacetic acid, thionyl chloride, and ethylene diamine results to theformation of a chelating sites which further on treatment with K2PdCl4 in the presenceof sodium hydroxide resulted as uniformly distributed palladium nanoparticles overthe surface of graphene oxide. The prepared nanomaterial was characterised by usingvarious techniques, such as SEM, FE-SEM, TEM, TGA, EDAX, HR-XRD, FT-IR.The prepared catalyst has been explored as an efficient and recyclable catalyst for thesynthesis of oxidative amination products, which is considered as important reactionin synthetic organic chemistry. Different aromatic aldehyde and amine derivativeswere explored as reactant under very mild reaction conditions. The efficient catalyticactivity of the prepared nanomaterial is due to high surface area and fixed confinementof palladium nanoparticles, which facilitates the better interaction of reactantsmolecules with catalyst.

PP: 215. STRUCTURAL, THERMAL, NON-ISOTHERMALDEGRADATION KINETICS AND COMPUTATIONAL STUDIES

OF MONONUCLEAR NI(II) AND CU(II)-COORDINATIONCOMPOUNDS WITH N,S,O DONOR LIGAND

A. P. Mishra*, B. S. Kusmariya and Vinay S. TripathiDepartment of Chemistry, Dr. H.S Gour Central University, Sagar, India – 470003.

E-mail: [email protected]/ 91-9425425938.

Non-isothermal degradation, kinetic parameters and computational studies ofmononuclear Ni(II) and Cu(II) complexes [general formula [M(L)(H2O)].xH2O; {M= NiII&CuII}] derived from tridentate2,4-dichloro-6-{ [(5-chloro-2 sulfanylphenyl)imino]methyl}phenol ligand (H2L). Thermal decomposition of complexes havebeen studied on four degradation steps at different temperature region to understandthe solid-state thermal degradation pattern of complexes under nitrogen atmosphereup to 1073K.The non-isothermal kinetic parameters viz. activation energy (E*), pre-exponential factor (Z), entropy of activation (ÄS*), enthalpy of activation (ÄH*) andfree energy of activation (ÄG*) of degradation process were calculated using Coats-Redfern (C-R), Piloyan-Novikova (P-N) and Horowitz–Metzger (H-M) methods



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assuming first order degradation.Quantum chemical computational investigation ofboth complexes was carried out at B3LYPlevel using 6-31G basis set. The calculatedharmonic vibrations were compatible to the observed FTIR and Raman frequencies.

PP: 216. SYNTHESIS OF ZINC BASED METAL-ORGANICFRAMEWORK/RGO NANOCOMPOSITE FOR HIGHLYEFFICIENT ADSORPTION OF CATIONIC DYE FROM

AQUEOUS SOLUTION

Gyanendra Kumar, Arun Kant and Dhanraj T. Masram*Department of Chemistry, University of Delhi, Delhi-110007, India.


In the present work the synthesis of zinc-based metal-organic framework (Zn-MOF)from the solvothermal method. Furthermore, Zn-MOF and reduced graphene oxide(rGO) incorporated to each other to form (Zn-MOF@rGO) nanocomposite. The presentnanocomposite has been used as adsorbent material for organic dye from aqueoussolution. The Zn-MOF@rGO nanocomposite has been carried out at differentexperimental condition such as adsorption kinetics, concentration, initial pH, time-dependent and the thermodynamic study was examined. The kinetics of adsorptionstudies were analyzed by different kinetics models such as intraparticle, pseudo-second-order, and pseudo-first-order, which have well described the adsorption behavior ofcationic dye onto the Zn-MOF@rGO nanocomposite. The kinetics of adsorption studiesshows that the adsorption maximum was reached at 10 min and well fitted pseudo-second-order kinetics. The adsorption isotherm model of the cationic dye onto theZn-MOF@rGO nanocomposite has been investigated in the pH range of 5 to 8 atroom temperature. The prepared nanocomposite can adsorb organic dye is superior toother nanocomposite materials. The equilibrium data were fitted well to the Langmuirisotherm model. Overall, the prepared nanocomposite can be used as an excellentadsorbent material in a variety of environmental and industrial applications.

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PP: 217. STRUCTURE, DNA/PROTEINS BINDING, DOCKINGAND CYTOTOXICITY STUDIES OF COPPER(II) COMPLEXESWITH THE FIRST QUINOLONE DRUG NALIDIXIC ACID AND

2,22 DIPYRIDYLAMINE

Manish Kumar and Dhanraj T. MasramDepartment of Chemistry, University of Delhi, Delhi-110007, India

This work presents the synthesis, structural characterization and biological affinity ofthe newly synthesized copper(II) complexes with the quinolone drug nalidixic acid(nal) or N–donor ligand 2,22 dipyridylamine (bipyam). [Cu(II)(nal)(bipyam)Cl], (2)reveals a distorted square pyramidal based geometry in Cu(II) atom confirmed by X-ray crystallography technique. The theoretical stabilities and optimized structures ofthe complex were obtained from DFT calculations. The ability of the complexes tobind with calf thymus DNA (CT DNA) were investigated by a series of spectroscopytechniques. The experimental results reveal that the complexes strongly interact withCT DNA via intercalative mode but complex 2 exhibits the highest affinity giving

= 3.91± 0.13 × 106, M”1. The fluorescence spectroscopy measurements show thatboth complexes have the superior ability to the replacement of EtBr from DNA-boundEtBr solution and bind to DNA through intercalative mode. Both complex also showsthe superior affinity towards proteins with comparatively high binding constant valueswhich have been further revealed by fluorescence spectroscopy measurements.Molecular docking analysis indicates that the interaction of the complexes and proteinsare stabilized by hydrogen bonding and hydrophobic interaction. Furthermore, the



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results of in vitro cytotoxicity reveal that the complex 2 has excellent cytotoxicitythan 1 against human breast cancer cell lines (MCF-7).

PP: 218. QUANTUM CHEMISTRY FROM NATURE

PratibhaDepartment of Chemistry, University of Delhi, New Delhi-11000, India

E- mail: [email protected]

Large quantities of exotic nanomaterials called carbon quantum dots (CQDs) cannow be created from poplar tree leaves. The finding could be applicable in many areasof science where CQDs are rapidly making an impact. Siyu Lu at ZhengzhouUniversity in China and his colleagues report their method of making CQDs in thejournal Chinese Chemical Letters.

“This is the first time that kilogram-scale synthesis of high-quality CQDs has beenachieved without complex chemistry,” Lu says. And by using biomass – in this case,poplar leaves, but with other possibilities to be explored – “we are turning waste intotreasure,” Lu adds enthusiastically. A team of plant scientists led by Heather Whitneyof the University of Bristol in the U.K. has just discovered the remarkable origin andpurpose of the shiny cobalt leaves on the Malaysian tropical plant Begonia pavonina.The plant owes its glimmer to its peculiar machinery for photosynthesis, the processplants use to turn light into chemical energy. Strangely enough, these blue leaves can

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squeeze more energy out of the red-green light that reaches the eternally dim rainforestfloor. Whitney and her colleagues describe the blue leaves today in the journal NaturePlants.

PP: 219. REACTOR TURNS GREENHOUSE GAS INTO PURELIQUID FUEL

Ravina MalikDepartment of Chemistry, University Of Delhi , New Delhi 110007

An electrocatalysis reactor built recycles carbon dioxide to produce pure liquid fuelsolutions using electricity. The scientists behind the invention hope it will become anefficient and profitable way to reuse the greenhouse gas and keep it out of theatmosphere. It is the cost effective method as previous.

PP: 220. BIOPHYSICAL INSIGHT INTO THE ANTIAMYLOIDOGENIC BEHAVIOR OF βββββ-AMNIOPYRROLIDINE

CONTAINING PEPTIDES

Habbanakuppe D. Preetham,[a] Umashankara M,[b] Darshini Gowda,[a]

Shalini,[a] V and Rangappa K. S[a]*[a] Department of Studies in Chemistry, University of Mysore, Manasagangotri,

Mysuru-570006. Karnataka, India.[b] Department of Studies in Chemistry, Karnataka State Open University,

Mukthagangothri, Mysuru-570006, Karnataka, India.E-mail: [email protected]

Alzheimer’s disease (AD) is caused by a series of events initiated by the productionand subsequent aggregation of the amyloid ? peptide (A?). In the early stages of thedisease, A? is released in a soluble form, then progressively forms oligomeric,multimeric and fibrillar aggregates, triggering neurodegeneration. Thus, developmentof inhibitors that interrupt reverse Aâ aggregation is thought to be a logical approachto treating AD. In this context we develop ?-aminopyrrolidine containing 12 mer peptide3 which is very potent in inhibiting the Aâ aggregation and also reduce Aβ(42)-induced



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cytotoxicity. Most importantly this peptide increased the life span and locomotiveability of transgenic flies in a Drosophila melanogaster model of Alzheimer’s disease.

PP: 221. PYRROLIDINE BASED CATIONIC Ã-PEPTIDES:SYNTHESIS AND CELLULAR UPTAKE OF PEPTIDE/DNA

TRANSFECTION STUDY

Darshini Gowda,[a Umashankara M,[b]] Habbanakuppe D. Preetham,[a]

Shalini,[a] V and Rangappa K. S[a]*[a] Department of Studies in Chemistry, University of Mysore, Manasagangotri,

Mysuru-570006. Karnataka, India.[b] Department of Studies in Chemistry, Karnataka State Open University,

Mukthagangothri, Mysuru-570006, Karnataka, India.E-mail: [email protected]

Positively charged peptides mixed with lipids have been shown to allow efficienttransfection in vitro. We have compared the ability of two positively charged 8-mer ã-peptides with different backbone constraint structure to compact DNA and to increasethe transfection efficiency of the cationic lipid DOTAP. Peptides Gp1 compact DNAefficiently in a gel retardation assay and protect DNA efficiently against DNase Idegradation. On the other hand peptide Gp2 interacts weakly with DNA and providespoor protection. The two peptides were mixed with DNA (plasmid pEGFP-N1) andtransfection efficiency was measured by FACS analysis at different times post-transfection. With NIH-3T3 cells, peptide Gp1 provides the highest transfectionefficiency (about 40%), compared Gp2 (19%) and DOTAP alone (9%) under optimalconditions.

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PP: 222. ACID DERIVATIVES OF QUINOLINE CONJUGATEDTO DIPEPTIDES/TRI PEPTIDES: DESIGN, SYNTHESIS AND

BIOLOGICAL EVALUATION

Shalini,[a] Darshini Gowda,[a] Umashankara M,[b] Habbanakuppe D.Preetham,[a] V and Rangappa K. S[a]*

[a] Department of Studies in Chemistry, University of Mysore, Manasagangotri,Mysuru-570006. Karnataka, India.

[b] Department of Studies in Chemistry, Karnataka State Open University,Mukthagangothri, Mysuru-570006, Karnataka, India.


Rapid and efficient synthesis of Quinoline-4-Carboxylic acid has been achieved bymicrowave irradiation. The process is operationally simple and environmentally benignyielding the desired product in a shorter time. A series of Quinoline-4-Carboxylicacid derivatives have been synthesized and are spectroscopically characterized.Different Dipeptides and Tripeptides have been incorporated in solid phase synthesis.The priliminary screening of the synthesized compounds showed significant activities.Further, peptide conjugated quinoline derivatives gave superior activity over simplequinoline compounds showing anticancer activity in a greater fold . The synthesizedcompounds may serve as lead for further development of therapeutics as antimicrobial,anti- HIV and antileishmanial activity.



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PP: 223. DISCOVERY OF NOVEL APPROACH FOR ONE-STEPREGIOSELECTIVE SYNTHESIS OF POTENT THIOXO

TRIAZO-SPIRO DERIVATIVES AS NON-HOMOLOGOUS DNAEND JOINING INHIBITORS.

Vindya K. Gopinatha,a Hassan. A. Swarup,a Sathees C. Raghavan,b

Kempegowda Mantelingu,*a and Kanchugarakoppal. S. Rangappa*a

aDepartment of Studies in Chemistry, Manasagangotri, University of Mysore,Mysuru-570006, India.

bDepartment of Biochemistry, Indian Institute of Science, Bangalore-560012, India.E-mail: [email protected], [email protected].

A series of novel thioxo triazo spiro derivatives were synthesized and evaluated fortheir antiproliferative activity. These new heterocyclic systems are obtained via oxalicacid catalyzed reaction of á,â-unsaturated ketones in the presence of 5,6-diamino-2-mercaptopyrimidine-4-ols, thus spiro rings are constructed in one step. Notably, thistransformation involves condensation of amino group followed by enamine reactionwith alkenes and subsequent reaction promoted by oxalic acid to afford spirocompounds with excellent regioselectivity. These derivatives showed 2 to 22-foldbetter efficacy in terms of cytotoxicity in cancer cell lines compared to its parentalmolecule and several of them inhibited one of the DNA double- strand break repairpathways, namely nonhomologous end joining.

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PP: 224. SYNTHESIS AND IDENTIFICATION OF NOVELPYRIMIDINE DERIVATIVE ‘N-(4-METHOXY-2-

NITROPHENYL)-2-((4-(THIOPHEN-2-YL)-6-(TRIFLUOROMETHYL) PYRIMIDIN-2-YL)THIOL)

ACETAMIDE’ AS NOVEL MITOTIC INHIBITOR

N. R. Thimmegowda,a,b Bo Yeon Kimb* and K. S. Rangappa C*

aGovt.S K S J T Institute, KR Circle, Bangalore, Karnataka, 560001, Karnataka, Indiab World Class Institute (WCI), Korea Research Institute of Bioscience and

Biotechnology (KRIBB), Ochang, Cheong-Won, Republic of KoreacInstitution of Excellence, University of Mysore, Manasagangotri,

570006 Mysore, India

We herein report the synthesis and identification of a pyrimidine derivative- N-(4-methoxy--2-nitrophenyl)-2-((4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thiol) acetamide (Compound 7) as structurally novel tubulin inhibitor which wasdiscovered through the course of our cell-based screening for new antiproliferativeagents from a small molecule library. The compound 7 suppressed the proliferation ofcancer cell lines from various origins and multidrug-resistant tumor cell lines withIC50 values ranging from 0.2 ìM to 6.5 ìM via induction of mitotic arrest followed bycell death.

PP: 225. REACTIVITY OF PALLADIUM (II) COMPLEXES OF ATETRADENTATE AMINOPHENOL-BASED REDOX-ACTIVELIGAND TOWARDS P-TOLUIDINE: C-N BOND FORMATION

VIA SINGLE ELECTRON TRANSFER (SET) MECHANISM

Akram Ali*

Department of Chemistry, CMP PG College, University of Allahabad, Allahabad IndiaE-mail: [email protected]

The interaction of transition-metal ions with organic radicals is a subject that currentlyreceives much attention. One of the driving forces of this research direction is therealization that such systems exist in the active sites of metalloproteins.In recent years



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the determination of molecular structure, investigating the magnetic, spectral and redoxproperties, and correct assignment of electronic structure of metal complexes of 2-anilino-4,6-di-tert-butylphenol-derived ligands in their di-deprotonated form havedrawn the attention of inorganic chemists due to redox-active nature of such ligands[1]. As a part of our continuing efforts to understand the properties of metal-coordinatedligand radical species from the standpoint of modeling GOase activity [2,3], we havedirected our attention to designing new ligands of 2-anilino-4,6-di-tert-butylphenolappended with a 2-arylazo group or a pyridylethylbenzylthioether substituent in theortho position of the N-aryl ring, and to investigate their coordination behavior towardtransition metal ions. In this poster presentation, the synthesis, molecular structure(X-ray), and electronic structure (spectroscopic, magnetic, DFT calculations) ofcomplexes of the latter ligand in all three oxidation levels (dianionic, semiquinonicand quinonic form) and reactivity of external ligand toluidine will be discussed.

PP: 226. NOVEL EFFICIENT APPROACH TOWARDSSYNTHESIS OF THIAZOLIDINONE DERIVATIVESPROMOTED BY IODINE IN AQUEOUS MEDIUM

Arjita Srivastava*Department of Chemistry, C.M.P. College, University of Allahabad, Prayagraj


Synthetic protocols carried out in aquoeus medium have become one of the mostsignificant prospects in organic synthesis. The non-toxicity, non-flammability andnon-hazardous nature of water make it a very suitable reaction medium for organicsynthesis in the context of green chemistry. A single step access to medicinallyrecognized thiazolidinone derivatives in aqueous medium has been developed. Thestrategy involves I2 promoted click cyclocondensation of 2-cyanopyridine withpotassium thiocyanate in aqueous medium. Molecular iodine has received considerableattention in the last few years as an inexpensive, non-toxic, readily available catalystfor various organic transformations. Iodine has proved to be a very efficient catalystin this reaction. The title heterocyclic scaffolds were obtained in excellent yield withhigh purity. The non toxic nature, high tolerance to air and water, recyclability andreuse of iodine molecule add to the protocol a wide scope. The reaction conditionshave been thoroughly optimized.

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PP: 227. ISOLATION AND STRUCTURE DETERMINATION OFA PENTCASACCHARIDE FROM SHEEP MILK

Ashok Kr. RanjanDepartment. of Chemistry, CMP College, Prayagraj(A constituent P.G. College of Allahabad University)


In this modern era Milk play a key role in human health and it is the first intake of anymammalian neonate which plays a pivotal role in the development of the infant. It iswidely accepted that the entire intestinal flora of breast-fed infants provides anti-infective properties and is an important stimulating factor for the postnatal developmentof the immune system. Milk contains proteins, fatty acids, minerals, vitamins andcarbohydrates especially, lactose and large number of oligosaccharides. Milkoligosaccharides are known to regulate blood sugar, maintain glycemic haemostasis,and prevent ketosis as well as being important for gastrointestinal integrity and function.The milk oligosaccharides inhibit the adherence of

pathogens to target cells, hence oligosaccharides and their derivatives are used astherapeutic agents and form the basis for the development of anti-tumor vaccines andact as effective drugs in the therapy of pathogenic diseases. Most of the oligosaccharidesdetected in domestic animal milks have some structural features in common withhuman milk oligosaccharides so keeping this in mind Sheep milk (Ovis aris) hastaken and processed by modified method of Kobata & Ginsburg leading to isolationof Oligosaccharides mixture which further on gel filtration, HPLC and repeated Columnchromatography delivers a novel fucosylated pentasaccharide. For detailed structuralanalysis use various physico-chemical techniques i.e. 1H, 13C, 2D (HSQC, COSY,TOCSY, HMBC), MASS spectrometry and given literature the structure of novelpentasaccharide has deduced as-

βGal(1-2)

βGalNAc(1-3)- βGal(1-4)-Glc

α-FucNAc(1-3)



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PP: 228. EOSIN Y CATALYSED VISIBLE-LIGHT MEDIATEDAEROBIC OXIDATION OF C(sp3)-H

Dr. Vishal SrivastavaDepartment of Chemistry, C.M.P. Degree College, Prayagraj-211002. India


A mild and efficient one-pot visible light-induced method has been developed for theaerobic oxidation of saturated carbon conjugated with pyridine moiety with animportant conversion in medicinal and synthetic organic chemistry. This eosin Y basedorganic transformations, exhibit a novel approach towards site selectivefunctionalization of pyridine with enhance integrity and capability. This novel syntheticroute may hold great potential for diverse functionalization of a wide range of pyridinemoiety with an economical and sustainable manner.

PP: 229. NOVEL ONE-POT CLAY-CATALYZED SYNTHESIS OFFUNGICIDE

Pravin K. SinghDepartment of Chemistry, C.M.P. College Prayagraj -211002, India

E-mail address: [email protected]

Microwave assisted clay-catalyzed solid state integrated chemical process whichenables the consumption of toxic intermediates and their isolation from environment,reduce reaction time, cost and complex isolation procedures enhances yields areeffective for realizing a green chemical process in library syntheses of bio-activecompounds. This is described here in the synthesis of thiadiazepine. Antifungalscreening results on Fusarium oxysporum and Penicillium citrinum show that mostof the synthesized compounds display promising antifungal activity, comparable withGriseofulvin and Dithane M-45 as standards.

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PP: 230. FORMULATION AND EVALUATION OF FLOATINGMICROSPHERES OF LANSOPRAZOLE

Vijay Kumar Gupta and Shashi ShankarDepartment of Chemistry Maharaja College ara bihar

Department of Pharmaceutics, Bihar College of pharmacy Patna BiharE-mail: [email protected]

Floating drug delivery system is one of the novel drug delivery system. Floating drugdelivery system have a bulk density less than gastric fluids and thus it remains buoyantin the stomach without affecting gastric emptying rate for a prolonged period of time.Lansoprazole is proton pump inhibitor drug with short elimination half-life 1.5-3 hours.Floating microspheres of Lansoprazole were prepared by Emulsion solvent evaporationmethod by using HPMC K4M, HPMCK15M, HPMC K100M, Ethyl cellulose aspolymers. The floating microspheres were evaluated for micromeritic properties,particle size, percentage yield, in vitro buoyancy, incorporation efficiency, drug polymercompatibility (IR study), scanning electron microscopy and in-vitro drug release.Results show that as the concentration of polymer increases it affects the particle size,percentage yield, in-vitro buoyancy and in-vitro drug release of microspheres.it wasalso found that cumulative drug release with different HPMC grade was found to beHPMC K4Me”HPMC K15Me”HPMC K100M. The micromeritic properties was foundto be good and scanning electron microscopy confirmed their hollow structure withsmooth surface. Formulaion F9 prepared with HPMC K100M: Ethyl cellulose exhibitedexcellent micromeritic properties, percentage yield, in vitro buoyancy, incorporationefficiency and percentage drug release 94% for a period of 12 hrs. The data obtainedin this study thus suggest that floating microspheres of Lansoprazole are promisingfor sustained drug delivery, which can reduce dosing frequency.



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PP: 231. NON-PRECIOUS METAL NANOCATALYSTS FOR(TRANSFER) HYDROGENATION REACTIONS

P. Linga Reddya,b, L. S. Panchakarlaa and Diwan S. Rawatb,*aDepartment of Chemistry, Indian Institute of Technology Bombay, Mumbai-

400076, IndiabDepartment of Chemistry, University of Delhi, Delhi-110007, India


Design and synthesis of nanomaterials is a key technology for achieving benignprocesses in the chemical, pharmaceutical, agrochemicals and material industries.1

Owing to their stability, ease of separation and recycling, heterogeneous catalystsrepresent an important tool for controlling chemical reactivity. In recent years,nanomaterials have been attracting increasing interest in catalysis for their potentialuse as catalyst and selective drug delivery vehicles.2 Herein, we report an impregnationmethod for the preparation of novel nanoscale cobalt catalyst supported on alumina-silica surface via pyrolysis for catalytic hydrogenation. Depending on the conditionsused for the preparation of the catalyst, remarkable differences in catalyst activitywere observed. The characterisation of nano Co on alumina-silica matrix with XPS,XRD, SEM-EDAX, HR-TEM confirmed that these nanoparticles possessed a monodispersed spherical morphology with 2-6 nm average particle size. The prepared catalystwas applied for catalytic hydrogenation of functionalized nitro arenes and foundexcellent chemo selectivity with a wide range of functional groups like esters, amides,nitriles, ethers and carbonyls. Finally, the leaching studies have shown satisfactoryresults of the heterogeneous nature of the catalyst up to five successive runs. Westrongly believe the present method has advantages in all aspects of economical,environmental (eco-friendly) and with an industrial importance.

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PP: 232. SUPRAMOLECULAR ARCHITECTURE OFBARBITURATES WITH N-HETEROCYCLIC BASED

LIGANDS: COMPUTATIONAL, DIFFERENTIALREFLECTANCE, PHOTOLUMINESCENCE & NLO STUDIES

Dr. Sandeep Singh a, b

Assistant Professor Sri Guru Granth Sahib World University Ftehgarh Sahib a, Punjab.SGGWU Fatehgarh Sahib & IIT Roorkee b, India.

E-mail:[email protected]

The reaction of Thiobarbituric acid (TBA) and Barbituric acid (BA) with different N-heterocyclic bases (Phenanthroline; PHEN; 2, 2’ Bipyridine: 2, 2’ BP; 4, 4’ Bipyridine:4, 4’ BP; Trimethylenedipyridine: TMD) resulted in the formation of co-crystals (1,4) & co-crystal hydrates (2, 3, 5) viz.,[TBA: PHEN] (1), [TBA:2,2’BP:2OH2](2),[BA:PHEN:OH2](3), [BA: 4,4’ BP] (4), [BA:TMD: OH2]] (5). These co-crystals& co-crystal hydrates were characterized by elemental analysis, IR, 1H-NMR andsingle crystal X-ray diffraction technique. The single crystal X-ray crystallographicstudies revealed that 2, 3 and 5 form the host-guest structures with water moleculeentrapped in the cavity formed by co-crystallization of TBA and BA with BP, Phenand TMD respectively. All the co-crystals formed 3-D supramolecular structuresvarying from ladder, mat type to zig-zag motifs stabilized through C-H…O, N-H…O,C-H…ð and ð….ð interactions. Solid UV (Reflectance) shows the semiconductor natureof co-crystals. Photoluminescence (PL) and Non Liner Optical properties (NLO) aredetermined by Fluorescence & Second Harmonic Generation (SHG) measurementsrespectively. Theoretical studies reveal that with the increase in conjugation & carbonchain length of the bases, the hydrogen bond interaction energy decreases. Gaussianview used to analyze the optimized geometries obtained at DFT (B3LYP)/6-31G ++(d, p) level of theory, which further revealed that the orientation of molecules remainedsimilar both in the solid and gaseous phases.



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PP: 233. GREEN SYNTHESIS AND CHARACTERIZATION OFSOME NOVEL BIOLOGICALLY ACTIVE 3-ALKYLATED

INDOLES CATALYSED BY NANO POROUS CuO

Aayushi Chanderiya*, Atish Roy and Ratnesh DasDepartment Of Chemistry, Dr.Harisingh Gour university sagar (M.P.), 470003

E-mail:- [email protected], [email protected]

Biologically active heterocyclic compounds are very important compounds in theorganic synthesis. These compounds can be synthesized via using nanosized catalyst.Nano size materials are the green and highly efficient recyclable catalyst for themulticomponent synthesis. A multicomponent one pot synthesis of 2-(1H-indol-3-ylmethyl)-5,5-dimethyl-cyclohexane-1,3-diones in high yield was carried out inaqueous medium at room temperature over nano porous copper oxide as heterogeneouscatalyst. Synthesized compound can be used as an antitubercular agent with betterselectivity.

PP: 234. CHITOSAN COATED PRUSSIAN BLUENANOPARTICLE AS ANTIBACTERIAL AGENT

Nayanika Chakrabortya, Diksha Jhab, Hemant kumar Gautamb and Indrajit Roya *aDepartment of Chemistry, University of Delhi, Delhi-110007,

bIndiaInstitute of Genomics and Integrative Biology, Sukhdev Vihar,Delhi 110025, India

* E-mail : [email protected]

One of the major problems facing the healthcare sector is the resistance to routinelyused antibiotics. These microbes have developed an ability to survive in harshenvironments and have high susceptibility to genetic modifications leading to thedevelopment of drug resistant strains. Nanoparticles have introduced a novel class ofantibacterial agents which increases bactericidal efficacy against resistant bacterialstrains. Photothermal therapy for inactivation of bacteria; is being explored in recenttimes. This led us to develop a new generation of photo thermal ablation antibacterialagent using biocompatible natural polymer chitosan, coated over Prussian blue

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nanoparticles. Chitosan coated Prussian blue nanoparticle (CHPB NP) shows a strongNIR region absorption , good photothermal effect and biocompatibility than PBNP;which is a FDA approved clinical drug. The morphology and size of CHPB NP wasstudied by Transmission Electron Microscopy (TEM) and scanning electron microscopy(SEM).The surface charge density was measured by zeta potential followed by X- raydiffraction(XRD) to study the crystalline phase. The thermal decomposition profile ofCHPB NP nanopowder was obtained by thermal gravimetric analyser. Even though,chitosan is known to have an intrinsic antibacterial property, it’s mechanism of actionis not well explored. Interestingly, at 635nm irradiation a minimal effect was observedon bacterial cells but with CHPB bactericidal effect was seen upto a concentration of75μg mL-1and 100μg mL-1 for gram negative and gram positive bacteria respectively.This feature of the CHPB NPs is certainly very promising for targeting bacterial cellsand see the difference in the mode of action of CHPB on gram negative and grampositive bacteria.

PP: 235. TfOH CATALYSED MILD OXIDATION OFALCOHOLS INTO CORRESPONDING CARBONYL

COMPOUNDS WITH IBX

Kamlesh Kumar,1,2 Penny Joshi2 and Diwan S. Rawat*1

1Department of chemistry, University of Delhi, New Delhi-1100072Department of Chemistry, DSB Campus, Kumaun University, Nainital-263002,

Uttarakhand, IndiaE-mail: [email protected]

Various reagents have been developed foroxidation of alcohols into correspondingcarbonyl compounds but most of thesemethods suffer from drawbacks likevigorous reaction condition, poor yields,workup and purification etc. Among all thereagents used for oxidation of alcohols,Iodoxy benzoic acid (IBX) is one of thepopular reagent often used due to its mild



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reaction conditions with excellent yields. However, IBX too has few limitations e.g.its poor solubility in common organic solvents, explosive nature at high temperatureand impact. To overcome the limitation of IBX numerous modified IBXs are reportedwith better solubility in common organic solvents. These modified-IBXs are notexplosive in nature either at high temperature or impact. Dess and Martin have shownthe oxidation of alcohols using a modified-IBX i.e. Dess Martin periodinane (DMP)with high yields.6 DMP was also found to be mild and chemoselective in nature. Forinstance, oxidation of primary alcohols to aldehyde without over-oxidation, oxidationof amino alcohols to amino carbonyls without protection of amino group, conversionof 1,2-diols into -ketols or á-diketones without oxidative cleavage and reactionwith sensitive heterocyclic compounds can be easily carried using DMP. To avoid thestructural modification of IBX, few additives like acetic acid, acetic anhydridetrifluoroacetic acid, â-cyclodextrin, Oxone, etc. are used with acceptable efficiency.Herein, we have established the easy and mild reaction condition for oxidation ofalcohols into carbonyl compounds using catalytic amount of TfOH in dioxane andDCM at room temperature. Noteworthy, the over oxidation of primary alcohols isshown in controlled manner.

PP: 236. NANOMATERIAL BASED BIOSESING PLATFORMFOR EFFICIENT DETECTION OF NEUROTRANSMITTER-

SEROTONIN

Chhaya Chaudhary1, Suveen Kumar1, Ramesh Chandra1

1Drug Discovery and Development Laboratory, Department of Chemistry,University of Delhi,Delhi -110007, India


Serotonin or 5-hydroxytryptamine (5-HT) is one of the important monoamine-neurotransmitters that has a wide variety of functions in the human body. It’s abnormalconcentration is associated with multiple disorders and diseases. A new electrochemicalimmunosensor have been developed for efficient detection of serotonin usingnanocomposite transition metal chalcogenides(n-Mo3Se4-rGO). The Mo3Se4 andMo3Se4-rGO was synthesized via low temperature hydrothermal method and further

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functionalization was carried out using 3-aminopropyl triethoxy silane (APTES).Deposition of functionalized moiety i.e. APTES/Mo3Se4 and APTES/Mo3Se4 -rGOonto the hydrolyzed indium tin oxide(ITO) was carried out using electrophoreticdeposition(EPD) technique at a DC potential. The APTES/nMo3Se4/ITO and APTES/nMo3Se4-rGO/ITO platform was then immobilized with monoclonal anti-serotoninvia EDC-NHS chemistry and Bovine Serum Albumin was employed for blockingnon-specific sits. The morphological and structural characterization of synthesizedmaterial and fabricated electrodes were characterized by X-ray diffraction (XRD),Scanning electron microscopy (SEM), Transmission electron microscopy, Fouriertransmission infrared Spectroscopy (FT-IR) and Atomic Force Microscopy (AFM).The biosensing platform was investigated by cyclic voltammetry studies. The resultsof electrochemical response studies conducted on bovine serum albumin (BSA)/anti-serotonin/3-aminopropyl triethoxy silane (APTES)/ Mo3Se4 /ITO immunoelectrodereveal that this immunoelectrode can be used to measure anti-serotonin concentrationin human blood serum samples, with a high sensitivity and higher linear detectionrange. The results obtained via the developed immunosensor for the quantification ofanti-serotonin were validated using ELISA.

PP: 237. ENTHALPY-ENTROPY COMPENSATION (EEC) EFFECTIN OXIDATION OF SOME PARA-SUBSTITUTED ANILINE BY

PEROXOMONOSULFATE IN AQUEOUS ACIDIC MEDIUM

Riya SailaniDepartment of Chemistry, University of Rajasthan, Jaipur-302004, INDIA


Peroxomonosulfate oxidation of some para-substituted aniline in aqueous perchloricmedium leads to the formation of azoxybenzene-4-4'-disulfonic acid from SulfanilicAcid. The reaction was under second order conditions. The reaction is retarded byhydrogen ions. Various thermodynamics parameters for the oxidation have beenreported, so as to investigate the nature of the reaction mechanism in solutions.Therefore, Isokinetic relationship and exner’s equation are useful to arrive at a decisionwhether or not a common mechanism is operative for a series of reactions. Also, theIsokinetic parameter â is further useful in deciding whether or not the system is enthalpycontrolled or entropy controlled.



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PP: 238. AMINE-FUNCTIONALIZED MAGNETIC GRAPHENEOXIDE AS RECYCLABLE HETEROGENEOUS

NANOCATALYST FOR THE REGIOSELECTIVE RINGOPENING OF STYRENE OXIDE

Padmini Gupta and Subho MozumdarDepartment of Chemistry, University of Delhi, Delhi. India 110007


In the present work, the successfully synthesis of magnetic graphene oxide with theimmobilize iron oxide nanoparticles on the surface of graphene oxide sheet. Further,the addition of aminopropyltrimethoxysilane (APTMS) on the magnetic grapheneoxide (MGO). Finally, we found the amine-functionalized magnetic graphene oxide(MGO-NH2) as a heterogeneous nanocatalyst. The synthesized heterogeneousNanocatalyst were characterized by various techniques such as FTIR, TGA, XRD,TEM, VSM, SEM and EDX analysis. The developed nanocatalyst (MGO-NH2) wasused as an efficient heterogeneous catalyst for the nucleophilic ring opening of epoxideswith derivatives of amines under green solvent at lesser reaction time. The presentcatalyst have best activity, higher regioselectivity, excellent yields and reused for upto seven runs without any considerable loss in its catalytic activity. Due to theferromagnetic nature of Fe3O4, the prepared composite material could be easilyrecovered after completion of the reaction through an external magnetic force. It showsthe functions of both acidic and basic groups due to the carboxylic groups present onthe sheet edges and amine groups immobilized on the surface of GO respectively.

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PP: 239. DESIGN AND DEVELOPMENT OF BIFUNCTIONALMAGNETIC GRAPHENE OXIDE AS A SOLID BASE

RECYCLABLE NANOCATALYST FOR NITRO ALDOLCONDENSATION

Surabhi and Subho Mozumdar*Department of Chemistry, University of Delhi – 110007


In the present study, the amine-functionalized magnetic graphene oxide Nano -catalystwas prepared through the reaction of 3-aminopropyltrimethoxysilane (APTMS) withmagnetic graphene oxide (MGO). The obtained heterogeneous catalyst wascharacterized by various characterization techniques such as Fourier transform infraredspectroscopy (FT-IR), powder X-ray diffraction (XRD), transmission electronmicroscopy (TEM), vibrating-sample magnetometer (VSM), thermo-gravimetricanalysis (TGA), scanning electron microscopy (SEM) and energy-dispersive X-ray(EDX) analysis. Graphene oxide, a two-dimensional hexagonal carbon lattice,continues to attract intense interest due to its extraordinary properties such as largesurface-to-volume ratio, high adsorption capacity and good chemical stability. Theprepared material was used as an efficient heterogeneous catalyst for the synthesis ofnitro aldol condensation product. In recent years, most studies have been focused onhomogeneous catalysts because of their high activity and selectivity. The difficulty ofrecycling and reusing of these catalysts increases the cost and even pollution of theenvironment and/or final product. An efficient method to overcome the drawbacks ofhomogeneous catalysts is the heterogenization of active catalytic molecules and creatinga heterogeneous catalytic system. Excellent product yield, short reaction time, use ofwater as green solvent, and easy workup procedure are the main advantages of thepresent protocol. Due to the ferromagnetic nature of Fe3O4, the prepared materialcould be easily isolated after completion of the reaction through an external magnetand reused for up to seven runs without any significant loss in catalytic activity. Thesynthesized nanomaterial is recyclable and eco-friendly. The recovery of the synthesizednanocatalyst is easily achieved by magnetic decantation.



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PP: 240. NOVEL ECO-FRIENDLY PROCEDURE FOR THESYNTHESIS OF PYRIMIDINE DERIVATIVES BY PYRIDINIUM

SALT UNDER MWI

Venkatesan Jayakumar1 and Anand Solomon2

1Department of chemistry, SVIS, SVVV University, Indore – 453111, MadhyaPradesh 2Department of chemistry, Dayananda Sagar University, Bengaluru,

Karnataka

In this work we describe a new, novel and efficient method of Biginelli reactioninvolving a three component reaction of an aromatic aldehyde, urea andethylacetoacetate for the synthesis of 3,4-dihydropyrimidine-2-(1H)-ones and relatedheterocyclic compounds. In this microwave (MWI) mediated reaction we employpyridinium salt as an ecofriendly, inexpensive and easy to handle catalyst. Theadvantages of this procedure are good yields, short reaction times, simplicity ofimplementation, and respect of the environment.

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PP: 241. TUNING OF FLUORESCENCE EMISSION OF 4-NITROPHENOL LUMINOPHORS FROM BLUE TO GREEN

Dr. S. R. PujariD.B.F.Dayanand College of Arts and Science, Solapur- 413002


The number of anthracene and anthracene-tetracene doped 4-nitrophenol luminophorswere prepared at different proportion by conventional solid state reaction technique.Excitation energy transfer was observed from host to the added guests. 4-nitrophenolacts as an outstanding light emitting matrix. The effect of the donor emission wasperceived by changing the dopant concentration; this showed that the bicomponentand tricomponent luminophors exhibit fluorescence emission ranging from blue togreen i.e. in the range from 425-525 nm and 535-550 nm, respectively. Structuralproperties and thermal stability was studied by XRD, SEM and TGA-DSC techniques.The study reveals that the prepared materials show excellent properties which canmeet the demands of optoelectronic devices as well as for light emitting devices.

PP: 242. THERMOCHEMICAL CONVERSION OFAGRICULTURAL RESIDUE & ENERGY CROP WASTE TO

BIOFUELS

D. Kotaiah Naik, K. Bhagya Sri, K. Priyanka, A. Jaya ShreeCentre for Chemical Science and Technology, Institute of Science and Technology,

JNTUH 500085, IndiaE-mail: [email protected]

Agricultural Residues (AR) and Energy Crop Waste (ECW) biomasses as an energyresource has several environmental and economical advantages and has potential tosubstantially contribute to present day’s fuel demands. Currently, thermochemicalprocesses for AR and ECW to energy transformation seem promising and feasible.The relative advantage of thermochemical conversion over others is due to higher



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productivity and compatibility with short residence time. This research covers differentthermochemical conversion processes like torrefaction, pyrolysis, liquefaction, andgasification that are used to convert various AR and ECW into solid (bio–char), liquid(bio–oil), and gaseous bio fuels (syngas/ biogas). Torrefaction and pyrolysis was carriedout at different temperatures of 200–300°C and 350–550°C using residence timeranging from 10 to 60 min in a bench–scale vertical fixed bed reactor. The experimentalwork was conducted in an entrained flow gasification unit of 1.0 kg/hr federate designedand installed at Indian Institute of Chemical Technology, India. In this work, thetemperature was varied from 600°C to 1100°C. The Equivalence Ratio (ER) and Steamto Biomass Ratio (SBR) values were varied between 0.1 and 1.0 while, Particle size(Dp) was changed from 0.5 to 3.0 mm. Finally we have developed an Aspen Plussimulation model for gasification process and validated with experimental results.The results obtained from the current study have made a significant contribution indemonstrating the value addition to AR and ECW from non–edible biomass. Theknowledge gained from the present study can be applied to develop large–scalethermochemical conversion processes for AR and ECW from any non–edible biomasseswith suitable modifications.

PP: 243. FACILE PREPARATION OF CHEMICALLYMODIFIED GRAPHENE-POLYBENZIMIDAZOLE

NANOCOMPOSITES WITH IMPROVEMENT OF THERMALAND MECHANICAL PROPERTY

Baban Deya, Gautam Sarkhela and Arup Choudhurya

aDepartment of Chemical Engineering, Birla Institute of Technology, Ranchi

The polybenzimidazole (PBI) is kind of high-performance heterocyclic aromaticpolymer having unique physical properties chemical resistance in harsh environments,excellent fire-resistance, good mechanical properties and good solution processability.Chemically transformed graphene reinforced high-performance polybenzimidazole(PBI) nanocomposites were prepared through exfoliation of graphene oxide (GO)and reduced graphene oxide (rGO) in methanesulfonic acid (MSA), followed by in-situ polymerization using GO-MSA and rGO-MSA suspension as reaction medium.Various reducing agents were used to prepare different rGOs and examine their

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reinforcing efficiency in PBI matrix. The study of Raman spectra, Fourier transforminfrared (FTIR) and Thermo-gravimetric analysis (TGA) indicate higher extent ofreduction of GO with hydrazine (rGOH) compared to other reducing agents. FESEManalysis confirmed that the GO and rGO nanosheets were successful exfoliated andwell-distributed throughout the PBI matrix. Compared to the pure PBI, both tensilestrength and Young’s modulus enhanced by 3.4 times and 6.9 times, respectively, forthe PBI nanocomposites incorporating 10 Wt% GO nanosheets. The all PBI/rGOsnanocomposites exhibited relatively lower tensile strength/modulus compared to GO-reinforced nanocomposite. The thermal stability of PBI was significantly improvedupon incorporation of both GO and rGO nanosheets, while higher thermal degradationtemperature was achieved for the rGO-reinforced nanocomposite. The present PBInanocomposite films with high thermally stability and higher mechanical strengthcould be a potential candidate for the high-performance electronic applications andprotective coating in aerospace structure.

PP: 244. SORPTION OF CHLOROPHENOL FROM AQUEOUSMEDIUM USING AGRICULTURAL WASTE MATERIAL

Madala Suguna*a and Nadavala Siva Kumarb

*aAssociate Professor, Department of chemistry, Vemu Institute of Technology,Kothakota, Chittoor, AP, India.

bDepartment of Chemical Engineering, College of Engineering, King SaudUniversity, P.O. Box 800, Riyadh 11421, Saudi Arabia


Most industrial waste discharges are often contaminated with phenolic compounds,which constitute a major source of water pollution owing to their toxicity and lowbiodegradability. Development of cost-effective treatment of such industrial wastewateris therefore of paramount importance. Towards this end, we explore the efficacy ofPine bark powder (PBP), which is an agricultural solid waste material, as a low-costbiosorbent without any pre-treatment, for the adsorptive removal of 2,4,6-trichlorophenol (2,4,6-TCP) from aqueous media. The PBP was thoroughlycharacterized and the effect of important adsorption parameters were examined in thepresent investigation. The batch equilibrium data were analyzed using well-known



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isotherm models. Freundlich isotherm model provided the best description of theequilibrium biosorption behavior. At 25 ± 1°C, the maximum biosorption capacity(qmax) was 289.09 mg/g, which is higher than most biosorbents reported in the literaturewhile the removal as high as 97% was obtained. Moreover, the biosorption processwas fast, attaining equilibrium in less than 120 min of contact. The Elovich modelaccurately described the kinetics data. In view of high biosorption capacity and fastremoval rates, PBP can be used for an efficient and cost-effective treatment of 2,4,6-TCP contaminated wastewater.

PP: 245. ARTIFICIAL INTELLIGENCE APPROACH FORDESIGN AND STRUCTURAL ANALYSIS OF LAMININ

PROTEIN

P. Moorthy1, P. Vadivel2*, B. Sangeetha3and S. Sivakumar4

1Department of Chemistry. Periyar University, Salem-636 0112Department of Chemistry, Salem Sowdeswari College, Salem-636 010.

3Department of EEE, AVS Engineering College, Salem-636 003.4Department of Physics, Government Arts College (A), Salem-636 007.


The accurate prediction of Protein Secondary Structure (PSS) from amino acid sequenceplays a vital role in fields such as drug discovery and disease diagnosis. However,PSS is complex problem as it contains spatial relationships between amino acids.Hence to tackle this problem, a set of supervised and unsupervised machine learningmethods has been applied over the years. Among them, Artificial Neural Network(ANN) prediction becomes more efficient. Laminin protein is a major functionalcomponent of the extracellular matrix, contributing to tissue development andmaintenance in human body. The unique architecture of laminin is not currentlyresponsive to determination at high resolution, as its flexible and narrow segmentscomplicate both crystallization and single-particle reconstruction by electronmicroscopy. Therefore in this work, a multi layered neural network is proposed toaddress secondary structure of laminin. In the topology, the first level classifier usessequences as inputs and provides the identification of the Amino Acids. They areapplied to the second level classifiers and predicts alpha, beta and coils from the

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amino acids. The obtained result shows that ANN predicts the secondary structure~70% Q3 accuracy compared with earlier methods which is about ~30% Q3 accuracy.Thus the results from this study may benefit further development of computationalprotein design methods.

PP: 246. SYNTHETIC UTILITY OF ZRO2-AL2O3 IN SYNTHESISOF 2,3-DIHYDROQUINAZOLIN-4 (1H) –ONES

K. H. Narasimhamurthya and K. S. Rangappab*

aDepartment of Studies in Organic Chemistry, Manasagangotri, University ofMysore, Mysuru-570006 bDepartment of Studies in Chemistry, Manasagangotri,

University of Mysore, Mysuru 570006, India.E-mail: [email protected], Tel. No.: +91-821-2419661, Fax: +91-821-2500846

In this paper, we report the synthesis of a nano acid catalyst ZrO2-Al2O3 by using ureaas a fuel and the evaluation of its catalytic efficiency in the synthesis of a series ofnovel substituted dihydroquinazolinones. The catalyst was found to be a highly effectivesolid acid catalyst, and it exhibited significant catalytic activity in converting substituted2-aminobenzamides into corresponding 2, 3-dihydroquinazolin-4-(1H) –ones undermild conditions. The optimized synthetic method is facile, rapid and efficient and hasemerged as one of the best methodologies for accessing these compounds.

NH

NH

O

R1

NH2

O

NH2

ZrO2-Al2O3 (0.02g)

Ethanol, Reflux, 2.5-3.5hR1-CHO

R = H, Cl, Br, R1 = Aryl, Piperidin-4-yl

3a-p(75-94%)

1a-c 2a-n

R R



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PP: 247. BURDEN OF POLLUTANTS IN THE RIVER GANGA

Dr. Archana DixitD G P G College Kanpur

Tannery wastewaters are highly complex and are characterized by high contents oforganic, inorganic and nitrogenous compounds, chromium, sulfides, suspended solidsand dissolved solids. Jajmau,the industrial suburb in Kanpur that houses close to 400Leather tanneries. The Leather industry releases large amounts toxic chemicals andacidic effluents concentrated with heavy metal Chromium, Cadmium, Lead, Arsenic,Cobalt, Copper, Iron, Lead, Zinc, Manganese. All of these highly potent chemicalsmake their way into the Ganges. These toxins not only contaminate the river but alsoseep in and pollute the soil and ground water. Most of the discharge overflows andpasses into the river. The post treated water used for irrigation of farmlands in theJajmau region of Kanpur is also found to have a devastating effect on crops andvegetables. Studies show that the presence of these hazardous toxic metals in Gangesis far above the permissible limit by World Health Organisation (WHO) and UnitedStates Environmental Protection Agency (USEPA). The contaminated water resultsin health hazards which include respiratory disease, renal failure, dermal problems(like rashes, boils and numbness) and blue baby syndrome. The implications of metalcontamination of agricultural soils due to long-term irrigation with treated industrialwastewater and their subsequent accumulation in the vegetables/crops growing onsuch soils has been assessed in an area of the industrial complex, Jajmau, Kanpur(India).

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PP: 248. NEEDLE SHAPED MANGANESE DIOXIDENANOPARTICLES FOR ELECTROCHEMICAL SENSING

OF NITROBENZENE

Tharini Jeyapragasam1*, J. Meena Devi2, L.Muthulakshmi3

1 Rajarajan Institute of Science, Madurai, TN, India2Centre for Nanotechnology & Advanced Biomaterials (CeNTAB) and School of

Electrical & Electronics Engineering (SEEE), SASTRA Deemed University,Thanjavur 613401, TN, India

3 Department of Materials Science, School of Chemistry,Madurai KamarajUniversity, Madurai, TN, India


A highly sensitive and selective electrochemical sensor for nitrobenzene (NB) detectionhas been developed based on needle shaped manganese dioxide nanoparticles. Theexperimental parameters such as the effect of pH and scan rate were optimized for thesensing of NB in the aqueous solution. The linear calibration plot has been constructedin the range of 10 x 10-6 M and 5 x 10-8M with the detection limit of 2.5 x 10-9 M usingdifferential pulse voltammetry, The MnO2 nanoparticles shows good reproducibilityand selectivity toward the NB sensing in the presence of some important interferants.

PP: 249. HYDROXYETHYLAMINE ANALOGS AS NEW CLASSOF MULTISTAGE INHIBITORS OF MALARIA PARASITE

Snigdha Singh1 and Ramesh Chandra1,*

1Drug Discovery & Development Laboratory, Department of Chemistry, Universityof Delhi, Delhi-110007 IndiaE-mail: [email protected]

Malaria is still considered a deadly curse in Africa and Asia despite improved vectorcontrolled and curative treatments with new antimalarial combinations. The nextchallenge is to work toward disease elimination. Elimination efforts require new drugclasses that alleviate symptoms, prevent transmission, and provide a radical cure. To



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achieve this goal, the renewed malaria eradication guidelines recommended thediscovery of new drugs, which can target liver, asexual, and sexual blood stages (thatis, multistage activity). Herein, we explored new C2 symmetric hydroxyethylamineanalogs as the potential inhibitors of Plasmodium falciparum (P. falciparum; 3D7) inin-vitro cultures. All the listed compounds were also evaluated against crucial drugtargets, plasmepsin II (Plm II) and IV (Plm IV), enzymes found in the digestive vacuoleof the P. falciparum. Few hits were evaluated as notable multistage growth inhibitors(liver, asexual blood and gametocyte stages) of the parasite in low micromolar inhibitoryconcentrations and P. berghei infection in mouse model with nominal cytotoxicity.The interesting observations will be presented.

PP: 250. SIMULTANEOUS ELIMINATION OF DYES ANDANTIBIOTIC WITH A HYDROTHERMALLY GENERATED

NiAlTi LAYERED DOUBLE HYDROXIDE ADSORBENT

Garima Rathee1 and Ramesh Chandra1*,2

1Drug Discovery & Development Laboratory, Department of Chemistry, Universityof Delhi, Delhi-110007, India

2Dr. B. R. Ambedkar Centre for Biomedical Research, University of Delhi, Delhi-110007, India.

In this study, hydrothermal route was used to design a novel NiAlTi Layered DoubleHydroxide. The material so obtained was characterized and further applied forwastewater remediation. Organic contaminants: dyes and antibiotics were used aspollutants to carry out the removal study. NiAlTi LDH was found to be an excellentadsorbent for the removal of anionic dyes and antibiotic. Excellent performance wasshown by NiAlTi LDH at a broad pH range from 4 to 10 for anionic dyes (Orange IIand Methyl Orange) but tetracycline removal was predominantly maximum at pH =9. Further, the kinetic studies also revealed that the adsorption process of both organiccontaminants obeyed pseudo-second-order model. In addition, Langmuir isothermadsorption model fitted the experimental results for both type of pollutants very well.The attained maximum adsorption capacity was superb for both organic dyes andantibiotics (1250 mg/g for MO, 2000 mg/g for OII and 238.09 mg/g for TC). NiAlTiLDH was also capable of simultaneous elimination of antibiotics and dyes from mixture

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of antibiotic and dye. Further, NiAlTi LDH also showed outstanding stability andreusability, making it one of the most promising materials for large scale wastewaterremediation, contaminated by dyes and antibiotics.

P251. Ce DOPED SnO2 NANOPARTICLES FOR HYDROGENEVOLUTION AND DEGRADATION OF TOXIC ORGANIC

POLLUTANTS

Akanksha Gupta,1 Bhawna,2,3 R. P. Singh,1 Vinod Kumar,*2

2Department of Chemistry, Sri Venkateswara College, University of Delhi, Delhi,India; 1Department of Chemistry, University of Delhi, Delhi, India; 3Department of

Chemistry, Kirori Mal College, University of Delhi, Delhi, India*E-mail: [email protected], [email protected]

From the past few decades, the demand for energy has been increased so immenselyalong with environmental issues. In this context, photocatalytic activities such as watersplitting, dye degradation have been playing a significant role in solving energy andenvironmental issues [1-4]. In this regard, this work focusses on the evolution ofhydrogen by water splitting and the degradation of dyes using Ce doped SnO2

nanoparticles. The photocatalyst was synthesized by the wet chemical reaction usingH2O2. The white colored nanoparticles were characterized by Powder X-ray diffraction,which confirmed the rutile phase structure. Further, XPS analysis result has shownthe presence of 5% Ce3+/Ce4+ into the interstitial and lattice positions ofSnO2 nanoparticles. It also established the presence of oxygen vacancies and disordersin the system, which was further confirmed by Raman and Photoluminescencespectroscopy. Photocatalytic water splitting reaction was investigated using Ce dopedSnO2 nanomaterials in addition to NiO co-catalyst and other different sacrificialreagents such as methanol, Na2S-Na2SO3 and EDTA ions. Also, It acts as a potentialphotocatalyst to degrade methylene blue and methyl orange under UV light irradiation.



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PP: 252. DIRECT SYNTHESIS OF IMINES FROM BENZYLALCOHOLS USING GOLD NANOPARTICLES SUPPORTED

MgCe-HDO COMPOSITE

Sahil Kohlia, Sunita Hooda and Ramesh ChandraaDrug Discovery & Development Laboratory, Department of Chemistry, University

of Delhi, Delhi- 110007, India.E-mail: [email protected]

The formation of carbon-nitrogen is the significant transformations in organicchemistry. It has various applications in the organic reaction like reduction, addition,condensation, etc. Imines, also known as Schiff bases are well-known intermediatesin the synthesis of pharmaceutical natural product, non-natural amino acids, medicinalcompounds, and heterocyclic. The Imines formation have been reported withtraditionally several methods but they have some drawbacks. The liquid phase oxidationof benzyl alcohol to benzaldehyde can be performed using an oxidizing agent, hydrogenperoxide etc. Herein, we have synthesized Gold nanoparticle supported on Mg(OH)2

and Ceria (CeO2) composite using Co-precipitation. Catalyst was characterized byXRD, TEM, SEM, FTIR etc. We have used MgCe-HDO-supported Au catalyst tooxidation of various benzyl alcohols using atmospheric pressure of molecular oxygenfor the base-free direct imines formation. Imines were characterized by NMR, andMass spectrometry.

PP: 253. ABUSIVE CHEMICAL ASSOCIATEDPSYCHOTROPIC EFFECTS AND FORENSIC EVIDENCE

MANAGEMENT IN MEDICO LEGAL POISONING

Dr. Babul BandyopadhyayChemistry Division, Forensic Science Laboratory, Kolkata 700037


The continuous use of abusive chemicals leading to addiction is a common medicalproblem and an unavoidable social issue. This communication describes the medicaland medico legal interventions to determine the status of patients at the interface of

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behavioral, social and clinical modules, who received abusive narcotic drugs andpsychotropic substances for characterization of risk and resolving patterns of problems.At phase one medical assessment and contribution, a sample population wasinterviewed and studied at hospital-clinics, who received clinical and mental supportand/or In-Patient care during the treatment schedule (n=14). Both psychological, andtherapeutic schedule of chemicals used for management and maintenance of thosepatients were studied on records. In another set of experiment, the toxicological analysisdetected the presence of foreign chemicals and addictive drugs (p<0.01) in the tissuesamples and viscera entrails (n=20) of the deceased. Both the clinical subjects andcases of unnatural deaths in medico legal poisoning aspects were accounted. Thisstudy may build the grounds of practical forensic social welfare research in the contextof providing exact scientific aids to the Judiciary.

PP: 254. THE GREEN CHEMISTRY AND ITS USE FORENVIRONMENTAL SUSTAINABILITY

Ranjit SinghH.O.D. Chemistry, Shri Shankar College, Sasaram


The chemical industry is the biggest source of hazardous waste and the number ofagents considered toxic is continuously increasing due also to a series of more restrictivelaws (REACH). The term Green Chemistry was coined in the 1990s, to bring focus toan increasing interest in developing more environmentally friendly chemical processesand products. In this term the Green Chemistry represents the most concrete answerof the scientific community to the pressing environmental needs and sustainability.There is a pool of clean technologies that are becoming widely studied or used betweenthem catalysis is a well established one, well proven at the largest volume end of thechemicals industry. Green Chemistry begin by design and design derives frominspiration. Nature is the biggest chemical laboratory in the world and produces, everydays tonnes of chemicals in absolutely, eco-friendly and sustainable way. The secretof natural chemistry are the enzymes. We must take inspiration from them to setupnew green chemical process.



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PP: 255. LIPASE (CAL-B) CATALYZED SYNTHESIS OF 5-ARYL-9,10-DIHYDROPYRIDO[2,3-D:6,5-D’]DIPYRIMIDINE-

2,4,6,8(1H,3H,5H,7H)-TETRAONE DERIVATIVESPERFORMED AT ROOM TEMPERATURE

Anusaya S. ChavanDepartment of Chemistry, Dr. Babasaheb Ambedkar Marathwada University,

Aurangabad, India -431004E-mail: [email protected]

Dihydropyridodipyrimidine moieties are useful heterocyclic compounds with a broadrange of biological, medicinal, and pharmacological properties like antitumor,antibacterial, antifungal, antiviral, anti-oxidant, dihydrofolate reductase inhibitory,tyrosine kinase inhibitory, calcium channel antagonist, and fibroblast growth factorreceptor 3 inhibitory. Due to these wide range of pharmacological properties andbiological activities, pyrido[2,3-d:6,5-d’]pyrimidines occupy an exceptional place inthe four possible isomeric structures and their structure has been the subject of medicalresearch. First time a green procedure has been developed for the synthesis of thesetherapeutically important heterocycles 5-aryl-9,10-dihydropyrido[2,3-d:6,5-d’]dipyrimidine-2,4,6,8(1H,3H,5H,7H)-tetraones. Here cyclocondensation ofbarbituric acid, aldehydes, and ammonium acetate in ethanol in the presence ofbiocatalyst, lipase has been performed. Easy work-up procedure and atom-economicare the additional features of this protocol. The details of the role of catalyst,optimisation and advantages of the developed protocol those already practiced will beshared

Lipase, DCMHN

NH

NH

NH

NH

O

O

O

O

HN NH

O

O O

H ONH4OAc

2

R

R

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PP: 256. SYNTHESIS OF SILVER TUNGSTATE MODIFIEDMAGNETITE NANOMATERIALS FOR VISIBLE LIGHT

ASSISTED PHOTO DEGRADATION OF ORGANIC WATERCONTAMINANTS

Sanjay Kumar and Pratibha Kumari*Department of Chemistry, Deshbandhu College, University of Delhi, New Delhi, India


The major world’s alarming situations include scarcity of usable water. Industrialeffluents, population outgrowth, and agricultural activities are majorly responsiblefor water contamination. The cationic and anionic dyes such as methylene blue (MB)and methyl orange (MO) constitute a major portion of water contaminants due to theirwidespread use and then their discharge into water bodies. Bisphenol A (BPA) isanother very frequent water contaminating chemical which is commonly present invarious materials used in everyday life such as electronic equipment, toys, water pipes,paper, etc. and thus consumers are frequently exposed to it through food and drinkingwater. Thereby, the development of the mineralization strategy of these contaminantsthrough effective, economical, simple and easy method has become a smolderingissue to save the environment.Heterogeneous catalysis has revolutionized the recentdevelopments in environmental pollution abetments. A series of nano-catalysts arebeing designed for controlling the organic contamination under UV light irradiation.However, there are limited reports on visible light assisted photo degradation studies.Herein, we report the modification of magnetite nanoparticles with visible light activesilver tungstate (AgW) to afford a nanocomposite (Fe@AgW) which can act as apromising photo-Fenton catalyst under visible light for remediation of model cationicdye (MB), anionic dye (MO) and colourless organic contaminant (BPA). The preparednanocomposite was characterized by SEM, TEM, Powder XRD, BET, UV-DRS, andFT-IR spectroscopy data. The nanocatalyst was also tested against pathogenic bacterialstains to explore its broad-spectrum use for water treatment.



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PP: 257. REGIOSELECTIVE SYNTHESIS OF HALOGENSUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIMIDINES

MEDIATED BY HYPERVALENT IODINE(III) REAGENTS:SPECTROSCOPIC CHARACTERIZATION, MOLECULAR

STRUCTURE, UV-FLUORESCENT PROPERTIES,HIRSHFIELD SURFACE ANALYSIS, DFT STUDIES

Ravinder Kumar* and Raj KamalDepartment of Chemistry, Kurukshetra University, Kurukshetra, Haryana

(India) – 136119E-mail: [email protected]

PhI(OAc)2 prompted regioselective construction, crystallographic analysis,photophysical, and anti-cancer evaluation of two novel [1,2,4]triazolo[4,3-a]pyrimidinederivatives has been demonstrated here via intramolecular oxidative-cyclization ofunsymmetrical substituted 2-(2-(4-bromo/fluorobenzylidene)hydrazinyl)-4-methyl-6-phenylpyrimidine. In addition to this Hirshfield Surface Analysis, DFT Studies alsocarried out to determine the nature of various intermolecular contacts within themolecular system.

PP: 258. RING EXPANSION OF CHIRAL AZIRIDINES WITHVARIOUS NUCLEOPHILES VIA BICYCLIC AZIRIDIUM ION

FORMATION: SYNTHESIS OF NATURAL ALKALOIDS

Nagendra Nath Yadav and Archana PareekDepartment of Chemistry, North Eastern Regional Institute of Science and

Technology, Nirjuli, Arunachal Pradesh, 791109, IndiaE-mail: [email protected]

Ring-expansion of chiral aziridines via the formation of bicyclic aziridinium ionfollowed by nucleophylic ring-opening with carbon nucleophile and hetero atomnucleophiles to generate piperidine ring system in highly regio- and stereoselectivemanner has been developed. This newly developed method for C-C and C-X bondformation was utilized for asymmetric synthesis of piperidine alkaloids in good toexcellent yields.

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PP: 259. EXTRACTION AND REMOVAL OF ANIONICSURFACTANTS FROM DOMESTIC WASTE WATER USING

ACIDIFIED SAWDUST

U. Sirishaa and Meena Vangalapati*b

a Research scholar, Dept of Chemical Engineering, AUCE (A), Andhra University,A.P, India

*b Professor, Dept of chemical Engineering, AUCE (A), Andhra University, A.P, India.

Surfactants are the compounds which reduce the surface tension between two liquidsor between solid and liquid such as detergents, emulsions, wetting agents etc. Thereare different types of surfactants such as anionic, cationic, zwitterionic, non-ionic.Anionic Surfactants such as sulfate, phosphate, sulfonate and carboxylates. Alkylsulfates includes Sodium Dodecyl Sulfate(SDS), Sodium Lauryl Sufate(SLS) etc.Anionic surfactants are potentially dangerous environmental pollutants due to theirhigh-volume use in laundry and cleaning products ,they are omnipresent watercontaminants . The aim of the present work is to investigate the optimized conditionsfor removal of anionic surfactants from domestic waste water using acidified sawdust. The initial concentration of anionic surfactants in domestic waste water is 20ppm. After the sample is treated with acidified sawdust the anionic surfactantsconcentration is estimated by solvent extraction by using as solvent and Acridineorange as indicator and at 467 nm in UV Spectrophotometer. The optimum conditionsfor removal of anionic surfactants were Time of 90min, Adsorbent dosage of 5%(W/V), pH-7 and at 25æ%C temperature obtained. From the obtained optimal conditions,the removal efficiency was 70% and it was improved to 90% using chemically Acidifiedsawdust.Column Chromatography and their kinetics were also studied. InColumn,Chromatographic studies the sample is feed to column in batch process. Forevery 10 min the sample is collected and concentration of Anionic Surfactants isestimated by solvent extraction method the maximum % Removal of AnionicSurfactants is obtained at 45min of 90%, and their kinetics were estimated pseudosecond order is best for the process the correlation coefficient is 0.99.



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PP: 260. DETERMINATION OF POLYALCOHOLS FROMWATER SOLUBLE CASSIA AURICULATA LINN. PERIODATE

OXIDISED SEEDS POLYSACCHARIDE BY SMITHDEGRADATION METHOD

R. B. SinghDepartment of Zoology, School of Life Sciences, Dr. Bhimrao Ambedkar University,

Khandari Campus, Agra-282 002 (U.P.)E-mail: [email protected]

Cassia auriculata Linn. plant belongs to family- Caesalpiniaceae and called as Tarwaror Avaram, is small perennial shrub and occurs in Himalayan region of Northern Indiaand Western Peninsula. Seeds yielded water soluble sugars as D-galactose and D-mannose in 1:3 molar ratio by TLC, Column and Paper Chromatographic analysis.Present manuscript mainly deals with the polyalcohols obtained by Smith degradationmethod of periodate oxidised seeds polysaccharide for the confirmation of seedspolysaccharide structure. Polysaccharide was oxidised with sodium borohydride andethylene glycol, dialysed and concentrated to a syrup. Solution was reduced with sodiumborohydride and hydrolysed by sulphuric acid and obtained hydrolysate was neutralizedwith barium carbonate slurry then concentrated to syrup. Hydrolysate syrup on paperchromatographic analysis to revealed glycerol and erythritol in 1:2.96 molar ratio andabsorbance were recorded at 540 mμ in photoelectrocolorimeter. Derivative of glycerolwas prepared with pyridine, p-nitrobenzoyl chloride and sodium bicarbonate on coolinggave crystals of glycerol-tri-O-p-nitrobenzoate, had m.p. 186-1870C. Derivative oferythritol was prepared with pyridine and p-toluene sulphonyl chloride afterrecrystallization with ethanol gave tetra-O-tosyl-erythritol, had m.p. 165-1660C. Alarge proportion of erythritol released by acid hydrolysis of polyalcohols produced byreduction of sodium borohydride. The evidence of polysaccharide structure showedthat the main polymer linkages are of (1’!4)-â-type and (1’!6)-á-type at non-reducingterminal end. The ratio of erythritol to the amount of glycerol indicated a branchingpoint after three units of backbone of polysaccharide structure of Cassia auriculataLinn. plant.

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PP: 261. SUSTAINABLE CHEMISTRY TO CONTROL BIO-HAZARDS

Dr. Panchanana GoudaKhallikote Autonomous College, Berhampur (Gm), Odisha-760001

A boon today can become a bane tomorrow. For instance, when polythene was firstsynthesized, it brought a revolutionary change in the area of material science. But dueto excessive consumption of the non-biodegradable material we are at a dead end ofretreat and are desperate to find an alternative. Same is the case with many chemicalsand heavy metal catalysts whose use causes concentration of by-products leading toenvironmental pollution and endangerment of bio systems. Sustainable Chemistry orGreen Chemistry intends to design chemical products and processes that reduce thegeneration of hazardous substances which can adversely affect the humans andenvironment. It aims at pollution control and waste management in laboratories andindustries by using economical and eco-friendly techniques.

PP: 262. SYNTHESIS, CHARACTERIZATION ANDANTIMICROBIAL ACTIVITY OF SOME QUINOLINE

DERIVATIVES

Ajaypal Prajapati and Vijay verma*Deptt. Of Chemistry, Gov. P.G. College, Tikamgarh M.P. India

*Deptt. Of Chemistry, Dr. H.S. Gour Central University Sagar M.P. IndiaE-mail: [email protected]

A series of novel N’-[Tetrazolo (1-5a)-6-methoxy-3-(substituted aryl methylidene aminothiourea) quinoline derivatives were synthesized by the reaction of N3 -[tetrazolo[1,5-a]-6-methoxyquinolin-3-methylidene amino thiourea with various substituted aromaticaldehydes by refluxing with dimethylformamide. The newly synthesized compoundswere characterized by their IR, and1HNMR spectral studies and have been evaluatedfor their anti-microbial activity by standard methods using standard drug streptomycinfor bacteria and Griseofulvin for fungi as reference. From the results it is concludedthat, the compounds 4c,4f, against E.coli. 4a,4b,4c,4f against B.subtilis,4a C. albicensand 4a4b,4e against A. paracitica exhibited more antimicrobial activity compared tostandard drugs.



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PP: 263. BINDING INTERACTION STUDY OF CHALCONEDERIVATIVE WITH BOVINE SERUM ALBUMIN: A

EXPERIMENTAL AND IN-SILICO STUDIES.

Nidhi Singha and Ramesh Chandraa,b*

aDrug Discovery and Development Laboratory, Department of Chemistry,University of Delhi, Delhi 110007, India.

bDr. B.R. Ambedkar Center for Biomedical Research, University of Delhi, Delhi110007, India.

Bovine Serum Albumin is about 76% sequential homologue to Human Serum Albumin.Serum albumin is the major transport protein. Biological activity of the drug is mainlyaffected by the drug-protein interaction in the blood plasma. It is necessary to determinethe binding parameter in order to evaluate the therapeutic potential of the drug. Thebinding mechanism between chalcone and BSA was evaluated by employing multi-spectroscopic technique and computational methods. UV-vis, steady state fluorescenceand time resolved fluorescence spectroscopy showed that chalcone interact with serumalbumin forming a ground state complex. FT-IR and CD Spectroscopy suggested thepresence of chalcone in protein molecule microenvironment. The value of bindingconstant indicates the moderate binding which is further validated by molecular dockingstudy. Molecular Dynamics Simulation studies showed the stability of BSA-Chalconecomplex with minimal deformability fluctuations. These studies illustrate themechanistic profile of chalcone to be used in therapeutic applications.


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January 3-7, 2020,

Bangalore

VI

LIST OF

PAST SECTIONAL PRESIDENTS


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Jagdamba Singh 2019

K. S. Rangappa 2018

Raj N. Yadava 2017

Rajeev Jain 2016

A. P. Mishra 2015

R. D. Kaushik 2014

K. K. Dwivedi 2013

A. K. Bakshi 2012

Vinod K. Singh 2011

J. S. Jadhav 2010

Ganesh Pandey 2009

N. K. Kaushik 2008

Anil K. Singh 2007

C. S. Mathela 2006

V. K. Saxena 2005

Pahup Singh 2004

S.P. Singh 2003

PAST SECTIONAL PRESIDENTS

Anirudh Singh 2002

A.N. Garg 2001

Mool Chand Gupta 2001

O. P. Agrawal 1999

K. N. Munshi 1998

Avijit Banerjee 1997

S. N. Tandon 1996

D. S. Bhakuni 1995

C. L. Khetrapal 1994

Sunil Kumar Roy 1993

H. P. Tiwari 1992

Girjesh Govil 1991

Amiya Banerjee 1990

P. C. Gupta 1989

D. P. Chakraborty 1988

J. P. Tandon 1987

M. M. Taqui Khan 1986

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K. K. Rohatgi Mukherjee 1985

Samir K. Banerjee 1984

H. Sanke Gowda 1983

S. Atiya 1982

H. L. Nigam 1981

K. C. Joshi 1980

Anil B. Biswas 1979

S. P. Mushran 1978

C. N. R. Rao 1977

R. P. Singh 1976

P.T. Narasimhan 1975

107th Indian Science Congress, Bangalore 2020 : List of Past Sectional Presidents

Chemical siences F - Indian Science Congress

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Transcript of Chemical siences F - Indian Science Congress