titel

1
titel
Software and Internet Resources for Capillary
Electrophoresis
Jetse Reijenga1 and Hian Kee Lee2 1 Eindhoven
University of Technology, Netherlands 2 National
University of Singapore
title
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content

• Communication
• CE literature search
• Software for parameter estimation
• Software for simulation
• Data analysis software
• Internet information resources

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Virtual community
my co-author chmleehk_at_nus.edu.sg
E-mail discussion list cze-itp_at_muni.cz around
480 CE users, 1-25 e-mails/week Subscribe by
sending to listserv_at_muni.cz the
message SUBSCRIBE CZE-ITP firstname lastname
_at_muni.cz
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communication

• Long-distance cooperation, example
• joint 20 MB web for exp results (with e.g.
  F2S.COM)
• virtual 50 MB drive on internet (e.g. FreeDrive)
• e-mail
• Chat (e.g. ICQ)
• Internet telephony (e.g. DialPad)
• Webcam (e.g. Netmeeting)

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Anal. literature
Analytical literature on CD-ROM
22899
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CE literature
CE literature data base
d.perret_at_mds.qmw.qc.uk
6628
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MECC predict
MECC migration index prediction
From Yasushi Ishihama et al, Anal. Chem.
68(1996) 1028-1032
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logP pred
logP (octanol/water) sources

• Experimental values (literature)
• Website (http//esc.syrres.com/interkow)
• Software
• ACD/logP (ACD/Labs)
• CLOGP (BioByte)
• KOWWIN (Syracuse)
• SciLogP (SciVision)
• AccuLogP (Microsimulations)
• ProLogP (CompuDrug)

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Exp.correl
Website logP correlation
ACD/ logP correlation
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comparison
Comparison of two logP estimators
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pK estimate
Estimation software for pKa values
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bufworks
Buffer Workshop
mbello_at_zarak.com
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Steady-state
Steady-state Simulation
IT_at_oemdata.nl
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Dyn. Simul.
Dynamic Simulation
gas_at_mail.natur.cuni.cz
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suggestion
mbello_at_zarak.com
???
gas_at_mail.natur.cuni.cz
IT_at_oemdata.nl
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Conclusions
Conclusions

• http// and _at_ broaden our horizon for cooperation
• An estimated value is better than no value
• Visualization as 1st step in method development
• The library is a virtual one
• There are no borders for information exchange

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The Use of Fluorosurfactant FC-129 in Micellar
Electrokinetic Capillary Chromatography

• Ronny de Ridder1,2, Francesco Damin1, Jetse
  Reijenga2 and Marcella Chiari1
• Institute of Biocatalysis and Molecular
  Recognition, C.N.R., Milano, Italy
• Laboratory of Instrumental Analysis, Eindhoven
  University of Technology,The Netherlands

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FC-129
N-ethyl-N-(heptadecafluorooctyl)sulfonylglycine,
K salt CAS 2991-51-7, Aldrich (Steinheim,
Germany)
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CMC determination
CMCFC-129 0.5 mM CMCSDS 8 mM
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Experimental

• Spectra-Phoresis 1000TM
• (Thermo Separation Products, Freemont, CA, USA)
• Fused silica, 50?m ID, 375 ?m OD
• Lt400 mm, Ld320 mm, V20 kV
• UV detection _at_ 200 nm
• Injection 5.17.103 N/m2 pressure, 4 s
• BGE 12.5 mM Sodium tetraborate pH 9.9

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Results EOF and Micelle Mobility
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Results Homologue phenol series
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Results 2-, 3- and 4-ethylphenol
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Results retention factors
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Conclusions

• EOF- Micelle mobility comparable
• systematic decrease in retention factor
• interesting selectivity differences