1st

Workshop on Macromolecular Separations-by-Design

October 10th & 11th, 2012 Gaithersburg, Maryland, USA

 

 

 

October 1

8:00-8:15

8:15-8:30

8:30-9:00

9:00-9:40

9:40-10:2

10:20-10:

10:35-11:

11:15-11:

11:55-1:0

1:05-1:45

1:45-2:25

2:25-2:55

2:55-3:10

3:10-3:50

3:50-4:30

4:30-5:00

6:00

10 – Stateme

Arrive

0 Welco

0 Kate B

André

0 JimmyCharac

0 Timothnew c

35 Break

Cather

15 Peter Ssepara

55 Haraldanalys

00 Lunch

Karen

Patricinanoco

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CatherHydroChrom

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Jack D

0 Karl F

0 Ilja Sieliquid simula

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Gaith

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nessee. “Polyf SEC.”

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Room B

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October 1

8:30-9:00

9:00-9:15

9:15-10:3

10:30-10:

10:45-11:

11:00-12:

12:15-1:1

1:20-2:00

2:00-3:30

3:30

 

 

 

 

 

11 – Defining

0 Ming ZAdmin

André

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Design, Synuorocarbo

Catherine A.

Alkyl modifiehromatograptemperature higher densitned geometrition the desrization of tw

The novel mational ordinated phaseto alkylamind shape selewith various an initial re

tadecyltrichloof the spac

ce polymerizte 13C/29Si Cresented.

Macromo

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Chrom

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Chemical nal Institute

Gaithersb

faces are thechromatograinvestigated

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er, Maximilli

Sciences Diof Standard

burg, Maryla

e most commaphic effects

extensivelyures typicall

cyclic aromaion, and inionary phases

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monly used as of phase

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Hydrocarcognition

and Katrice

nology

and studied blength, ligabeen found

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a high degreape recognd carboxylicrfluorinated

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hop 2012

rbon and in Liquid

A. Lippa

bonded phasand density,that longer

parations of sarotenoids. Inand spectros

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techniques.tivity is obseonal orderin

spectroscopy

2

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erstandinge Exclusio

Chromatograprising from

he former canmulations aldetailed infohlight recente to understned polycyclhomo- and ccs force fieental retentition, embed

In contrastsons are mad

Macromo

James FraUnive

f chromatogress, either bof slow fluid processes wid free regionnsions and ds encountelar weights, average of f. We have thods and rof describ

confinemen, and the rechains.

g Retention Chroma

phic separainteractions n be altered llow one to ormation on t applicationtand the retlic aromatic o-polymers

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Polymers

Ka

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ith strong flons has for th

the use oer technical dthe influenc

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recent advanbing the inft probabiliti

ecent method

n in Reveratography

Ilja

DepartmUnivers

ations involvof the analyby the presprobe chromstructural c

ns of configutention mechydrocarbonin size excl

ed for the nd the simgroups, and d coarse-graical predictio

eparation

In Confin

arl F. Freed

e and Departicago, Chica

ve methods ioning of poause of the d

ow. The theohe past 40+of long chadifficulties w

ce of interacties, such as ted an alternnces with nufluence of ies, the anads introduce

rsed-phas

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a Siepmann

ment of Chemity of Minne

ve a delicayte moleculeence of solvmatographiccharacteristicurational-biachanisms of ns in reverselusion chromRPLC syst

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ain models ons.

ns‐by‐Desi

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tment of Cheago, IL 6963

in which poolymers betdifference inoretical treat+ years folloain (groundwhen considtions with ththe drag forc

native theoreumerical invchain bran

alysis of a ced by Wu a

e Liquid Cs from Mo

mistry esota

ate interplayes with the svent (mobilec systems oncs and retenas Monte Caf small flexied-phase liqmatography tems and eucidate the ensity for aare used fo

gnWorks

emistry 37

olymer conftween the frn flow propetment of polyowed the clad state domdering the dehe confining ce, over the etical approverse Lapla

nching and commonly u

and coworke

Chromatoolecular Si

y of enthalpstationary ane-phase) moln the molecntion mechanarlo simulatiible analyte

quid chromat(SEC). Acnable direcinfluence

alkyl-silane or the SEC

hop 2012

finement govree and conerties of polyymer partitioassic methominance). Tependence osurfaces, anconfiguratio

oach that utace transform

polymer-suused metho

ers for separ

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pic and entnd mobile phlecules. Parular level annisms. Thisions in the Ges and of shtography (RPccurate molet comparisoof mobile-pbased statiosimulations

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A fund

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Carbo

structuraissues in dependentalk, I whybrids fundamen

Referenc

1. Zheng338-342 2. Zhengassembly3. Tu, Xrecogniti

amental s

Chain molecugies. Exampivery method

nt fundamenational phaynamic conensively stuusing advanf interest to length, chai

d and tetherd and contra

Str

on nanotubel forms. Obtthe field. To

nt on both thwill show the

by nanotubntal studies

ces

g, M. et al. D(2003). g, M. et aly. Science 30

X., Manohar,ion and separ

Macromo

tudy of th

W

Nation

ules tetheredples include ds. Unfortu

ntal questionse behaviornstraints anudy the connced Monte within an adn density, anred polyme

asted to those

ructure-ba

MaterNationa

es (CNTs) cataining CNTo solve the phe DNA seqe use of conbe’s chiralitand applicat

DNA-assiste

. Structure-02, 1545-154, S., Jagota,ration of car

olecularS

he conformat i

W. P. Krekel

Chemical nal Institute

Gaithersb

d or adsorbedcolloidal pa

unately, despns remain. r of tether

nd surface nformational

Carlo simuldditive consnd polymer-rs. The pe of bulk pol

ased Sepa

M

rials Scienceal Institute ofGaithersbur

an be regardTs of well-deproblem, we quence and thnventional lty and lengtion develop

d dispersion

based carbo48 (2003). A. & Zhen

rbon nanotub

eparation

mational phinterfaces

lberg and V.

Sciences Diof Standard

burg, Maryla

d to solid suarticle stabil

pite significa In particulred and ad

chemistry phase beha

lation technistant. We sysurface interroperties oflymer solutio

ration of C

Ming Zheng

e & Engineef Standards rg, Maryland

ed as a specefined structu

have createhe atomic coiquid chromgth, and illment.

n and separa

on nanotube

ng, M. DNAbes. Nature

ns‐by‐Desi

hase beha

K. Shen

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urfaces are atlization, chrant computatlar, a basicdsorbed cha

is still lavior of moiques that prystematicallyractions impf adsorbed ons.

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cial type of pure has been

ed a DNA-CNonfiguration

matography tlustrate how

ation of carb

e sorting by

A sequence e 460, 250-25

gnWorks

avior of ch

nology

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c understandain moleculacking. In odel homoprovide the fry determine pact the resu

and tethere

Nanotubes

on logy

polymers witn one of the NT hybrid w

n of the encatools to sep

w the sorte

bon nanotube

y sequence-

motifs for s53 (2009).

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hain molec

f a wide ranhic materialsheoretical efding of howules depend

this talk,polymers at free energy ohow factors

ulting structued polymers

th many diffmost challen

whose structuased CNT. Inparate DNA-ed CNTs en

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nge of s, and fforts, w the ds on , we solid

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Material Measurement Laboratory

Group Spokesperson:

Facilitator:

Scribe:

Macromolecular Separations WorkshopBreakout Discussion Topics/Notes

MACROMOLECULAR SEPARATIONS

Critical Polymer Molecule Unknowns: Prioritization

• Quantifying Distributions

• Architecture (Linear, Star, Branched, Cyclic)

• Composition (statistical or block copolymers; blends?)

o Charge/polyelectrolytes?

• Mass (which descriptors? Mn, Mw, Mv?)

• Other

• Rigidity/Aspect ratio /Persistence length?

• Functional assemblies/objects?

• Supramolecular

• Particles and rods/tubes

10

MACROMOLECULAR SEPARATIONS

New Methods and Method Development

• Do you use/develop new methods?

• 2D

• Interactive

• Gradient

• Precipitation-redissolution

• If not, why?

• If so, which ones? What are the limitations? Advantages?

• What the bottlenecks in method development?

• Solvent selection/mixed solvents

• Availability/performance of stationary phases

• Availability of specialized equipment

• Software/data analysis

• Other

MACROMOLECULAR SEPARATIONS

Role of Models, Theory and Data

• Do you use Theory and Simulation tools in your process design and development for macromolecular characterization?

• Why or why not?

• How has it helped you?

• What are the major challenges to adopting stronger connections between calculations and experiment (e.g. language barriers, complexity, etc.)?

• What are the major tools that you use?

• How could they be better?

11

MACROMOLECULAR SEPARATIONS

Validation, Standards and Data

• How do you validate your data? Would best practice guides or different reference materials be important?

• What kinds of new standards would be most useful?

• Would data sharing resources, such as public databases or simply database frameworks, for separations or molecular characterization protocols or raw data that could be public or private be valuable to you?

MACROMOLECULAR SEPARATIONS

Education, Training and Outreach

• Is your workforce adequately trained in polymer/macromolecule separation/characterization science?

• What technical skills are you looking for in new hires (PhD-level) in this general area?

• Are there critical educational/training resources that could be provided at the basic science, fundamental metrology level in new areas of separation science and molecular characterization?

• e.g. Data (mis)interpretation

• Is there a center/facility or other resource an Institute like NIST could provide to accelerate adoption of new methods in industry?

12

A focused leader

in Polyolefin Analysis.

Polymer Char is devoted to the development of state-of-the-art instrumentation

for the characterization of polyolefins.

The company offers a broad range of modern instruments and services for polymer

analysis and more specifically, for structural characterization of polyolefins, such as

Molar Mass Distribution - GPC/SEC (GPC-IR, GPC One), Chemical Composition

Distribution (CRYSTAF, TREF, CEF), Bivariate Distribution by Cross-Fractionation

Chromatography (CFC), High Temperature HPLC (TGIC, SGIC 2D), Xylene Solubles

(CRYSTEX), Preparative Fractionation (PREP mc2) or Infrared Detection (IR4, IR5 MCT).

Polymer Char is also well known for its advanced approach into virtual

instrumentation software that, together with excellent remote control capabilities and

its strong commitment to Customer success, places the company at the leading

edge on instrumentation diagnostics and technical support.

Polymer Char, together with its global network of partners and distributors, supplies,

trains and supports Customers worldwide. The company provides analytical services

in 35 countries and its instruments are present today in over 20 countries within the

Americas, Europe, Africa, Middle East and Asia Pacific, predominantly serving to

Polymer Producers and Processors, Government and Academic Research Laboratories,

Contract Research Organizations, Analytical and Testing Laboratories and Chemical

Instrumentation Manufacturers.

In the last two decades and with an average annual investment of 30% of its

manpower resources on R&D, Polymer Char has played a key-role in the development

of most of the existing polyolefin characterization technologies, such as CRYSTAF,

CRYSTEX, CEF, CFC or GPC with IR detection. Each new project, each new analysis,

makes clearer Polymer Char recognition as The Polyolefin Characterization Company.

Find out more about us at www.polymerchar.com

Corporate Overview

Polymer Characterization, S.A. Gustave Eiffel, 8 Paterna T.: +34 96 131 81 20 info@polymerchar.com

E-46980 Valencia, Spain F.: +34 96 131 81 22 www.polymerchar.com

MAIN SOLUTIONS · High Temperature GPC-IR®:

The GPC-IR® instrument is a reliable and fully automated 4D

Gel Permeation Chromatography (GPC) system dedicated to

the characterization of polyolefins. It incorporates the best

infrared (IR) detectors, for the most comprehensive

characterization of polymers such us HDPE, PP, LDPE, LLDPE,

EP copolymers, EVA, EBA or others in the group of polyolefins,

with the add-on of providing composition information as well.

· CRYSTAF-TREF:

CRYSTAF-TREF is a completely automated apparatus for the

analysis of the Chemical Composition Distribution in

Polyolefins by CRYSTAF (Crystallization Analysis Fractionation)

and TREF (Temperature Rising Elution Fractionation)

techniques, providing a broad structural data base to improve

catalyst knowhow and allowing new resins design.

· Analytical Services:

Polymer Char offers worldwide polyolefin characterization,

fractionation and consulting services, addressed to the

petrochemical, academia and research industries.

FAST AND FURIOUS

phone: +1-(413) 835-0265

www.pss-polymer.com | info@pssgpcshop.com

Driving GPC/SEC forward

GPC/SEC Solutions – Products – Expert Support PSS - Acknowledged Global Leader in GPC/SEC Analysis

GPC/SEC is our only passion! We at PSS are dedicated to the advancement of the technique of macromolecular liquid chromatography. We design products that of-fer users powerful but cost effective solutions for the analysis of both simple and complex macromolecular materials, backed by the support of the largest group of GPC/SEC experts in the world. Working at the leading edge of material science research, we work constantly with our customers to ensure that our products can be used, with confidence, in both routine QC and R&D analysis.

PSS offers the widest portfolio of products including molecular weight refer-ence materials and a huge array of columns and application optimized GPC/SEC stationary phases. Our state of the art instruments, software and turn-key solu-tions for GPC/SEC range from single concentration detectors, to multi-detection with light scattering, and viscometry through to hyphenated techniques such as GPC/SEC coupled to mass spectrometers and NMR. Our systems are designed to be fully compliant for the pharmaceutical industry.

Call us and discuss your application challenges with our group of dedicated and enthusiastic specialists.

For all Organic Eluents

• For all Aqueous Eluents

• For High and Low Molecular Weight

Synthetic and Bio-Polymers

• From Micro GPC/SEC up to Preparative Scale

• HighSpeed Columns for fast Analysis

GPC/SEC Instruments• Complete Systems and Components

• Light Scattering Detectors

• Viscosity Detectors

• dn/dc Instrumentation

GPC/SEC Schools and Support • Full Services from Installation to Validation,

Operation, and Repair

• GPC/SEC and Software Training Schools

• GPC/SEC In-house Training

• User Meetings

• NetCommunity with Application and

Publication Downloads

Supplies and Services for Comprehensive Characterization of Natural and Synthetic Macromolecules

Reference Polymer Standards• GPC/SEC Standards and Kits

• Certified Reference Materials

• MALDI Kits

• Viscosity & Light Scattering Validation Kits

• ReadyCal Kits

• Deuterated Polymers

• Tailor made Polymers and Copolymers

Software WinGPC UniChrom MACROMOLECULAR

CHROMATOGRAPHy DATA SySTEM

• Light Scattering Module for LALLS, RALLS,

TALLS, MALLS

• Viscosity Module

• Copolymer Module

• End-group Analysis Module

• 2-dimensional Chromatography Module

• Heparin Module

• LAN/Server Solutions

• Compliance Pack

PoroCheck SOFTWARE FOR PORESIzE ANALySIS

AND INVERSE GPC/SEC

Analytical Services• Molar Mass Determination

• Branching/Structure Information

• Method Developement and Transfer

• Complete Product Deformulation

• Consulting

56 LCGC NORTH AMERICA CORPORATE CAPABILITIES DECEMBER 2011 www.chromatographyonline.com

Company DescriptionWyatt Technology Corp. (WTC) is the world’s largest company dedicated to light-scattering detectors for LC. Dr. Philip J. Wyatt, the president and founder of the company, was the developer of the first commercial multiangle light-scattering instruments more than 40 years ago. Dr. Wyatt is one of the world’s leading authorities in the light-scattering field, holds more than 20 pat-ents pertaining to light scattering, and is the author of four texts and over 50 publications. The company’s light-scattering detec-tors have been sold in more than 50 countries, making them the most popular light-scattering instruments available. Wyatt Technology’s extensive applications laboratory coupled with its full-time staff (including 17 PhD scientists) means our custom-ers receive deep technical expertise and support.

Chief Chromatographic Techniques Supported ⦁ HPLC ⦁ GPC/SEC/GFC ⦁ RPC ⦁ Field flow fractionation

Markets ServedWyatt provides its products to a wide range of markets includ-ing, but not limited to, companies involved with biotechnology, pharmaceutical development, chemical, petrochemical, and academic research laboratories. In addition, WTC provides its products to the United States government and has active cus-tomers in the Food and Drug Administration, National Institutes of Health, and the U.S. Army, Navy, and Air Force. Abroad, WTC’s distributor network supplies the world with products, support, and training, be it in Asia, Europe, Africa, or South America.

Major Products/ServicesWTC’s family of instruments includes: ⦁ DAWN HELEOS: An 18-angle light-scat-

tering instrument that can be used at ambient, elevated, and below ambient temperatures.

⦁ MiniDAWN: A three-angle instrument that is ideal for proteins and peptides and molar masses below 1 million Da.

⦁ Eclipse system: For separation of mac-romolecules and nano particles in solution.

⦁ Optilab TrEX: The most advanced RI detector in the world with 256 times the detection power and 50 times the dynamic range of any other RI detec-tor. The TrEX can be operated below or above ambient temperature and deter-mine dn/dc at the same wavelength of light as the light-scattering instrument.

⦁ WyattQELS: A quasi-elastic (dynamic) light-scattering instrument that can be interfaced to the DAWN or the mini-DAWN Tristar in order to determine particle sizes as small as 1 nm.

⦁ ViscoStar viscometer: A state-of-the-art intrinsic viscosity detector that can be operated above or below ambient tem-perature with its precise Peltier ther-mostatic controls. The ViscoStar also includes software for determining the Mark-Houwink coefficients for polymers and biopolymers.

⦁ WTC Protein Columns: A family of new silica based columns specifically designed for SEC/MALS protein applica-tions. These columns retain all the im-portant features of a first-class SEC col-umn for protein separations. They are made of the highest quality silica with well-controlled pore sizes and highly reproducible surface chemistry.

FacilitiesWTC maintains more than 30,000 ft2 of modern electronics, optical prototype, machine shop, and laboratory facilities in Santa Barbara, California.

Wyatt Technology Corp.6300 Hollister Ave.

Santa Barbara, CA 93117

T e l e p h o n e

(805) 681-9009

F a x

(805) 681-0123

e - m a i l

info@wyatt.comW e b s i T e

www.wyatt.com

n u m b e r o F e m p l o y e e s

85

y e a r F o u n d e d

1982

Wyatt Technology Corp.

Macromolecular Separations-by-Design Workshop 2012

17

Macromolecular Separations-by-Design Workshop 2012

18

Administration Building - 101, 1st Floor Map