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titel. Software and Internet Resources for Capillary Electrophoresis. Jetse Reijenga 1 * and Hian Kee Lee 2 1 Eindhoven University of Technology, Netherlands 2 National University of Singapore. title. content. Communication CE literature search Software for parameter estimation

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  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

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

  3. Virtual community my co-author: chmleehk@nus.edu.sg E-mail discussion list: cze-itp@muni.cz around 480 CE users, 1-25 e-mails/week Subscribe by sending to listserv@muni.cz the message: SUBSCRIBE CZE-ITP firstname lastname @muni.cz

  4. 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)

  5. Anal. literature Analytical literature on CD-ROM 22899

  6. CE literature CE literature data base d.perret@mds.qmw.qc.uk 6628

  7. MECC migration index prediction MECC predict From: Yasushi Ishihama et al, Anal. Chem. 68(1996) 1028-1032

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

  9. Website logP correlation ACD/ logP correlation Exp.correl

  10. Comparison of two logP estimators comparison

  11. Estimation software for pKa values pK estimate

  12. Buffer Workshop bufworks mbello@zarak.com

  13. Steady-state Simulation Steady-state IT@oemdata.nl

  14. Dynamic Simulation Dyn. Simul. gas@mail.natur.cuni.cz

  15. suggestion mbello@zarak.com ??? IT@oemdata.nl gas@mail.natur.cuni.cz

  16. Conclusions Conclusions • http:// and @ 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

  17. The Use of Fluorosurfactant FC-129 in Micellar Electrokinetic CapillaryChromatography • Ronny de Ridder1,2,Francesco Damin1,Jetse Reijenga2 andMarcella Chiari1 • Institute of Biocatalysis and Molecular Recognition, C.N.R., Milano, Italy • Laboratoryof Instrumental Analysis,Eindhoven University of Technology,The Netherlands

  18. FC-129 N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]glycine, K salt [CAS 2991-51-7], Aldrich (Steinheim, Germany)

  19. CMC determination CMCFC-129 = 0.5 mM CMCSDS = 8 mM

  20. Spectra-Phoresis 1000TM (Thermo Separation Products, Freemont, CA, USA) Fused silica, 50m ID, 375 mOD Lt=400 mm, Ld=320 mm, V=20 kV UV detection @ 200 nm Injection 5.17.103 N/m2pressure, 4 s BGE: 12.5 mM Sodium tetraborate pH 9.9 Experimental

  21. Results EOF and Micelle Mobility

  22. Results Homologue phenol series

  23. Results 2-, 3- and 4-ethylphenol

  24. Results retention factors

  25. Conclusions • EOF- & Micelle mobility comparable • systematic decrease in retention factor • interesting selectivity differences

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