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TU/e eindhoven university of technology / department of chemical engineering and chemistry Software and Internet Resources for Capillary Electrophoresis.

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Presentation on theme: "TU/e eindhoven university of technology / department of chemical engineering and chemistry Software and Internet Resources for Capillary Electrophoresis."— Presentation transcript:

1 TU/e eindhoven university of technology / department of chemical engineering and chemistry 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 titel

2 TU/e eindhoven university of technology / department of chemical engineering and chemistry Communication CE literature search Software for parameter estimation Software for simulation Data analysis software Internet information resources content

3 TU/e eindhoven university of technology / department of chemical engineering and chemistry discussion list: around 480 CE users, s/week Subscribe by sending to the SUBSCRIBE CZE-ITP firstname lastname my Virtual community

4 TU/e eindhoven university of technology / department of chemical engineering and chemistry 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) Chat (e.g. ICQ) Internet telephony (e.g. DialPad) Webcam (e.g. Netmeeting) communication

5 TU/e eindhoven university of technology / department of chemical engineering and chemistry Analytical literature on CD-ROM Anal. literature 22899

6 TU/e eindhoven university of technology / department of chemical engineering and chemistry CE literature data base CE literature 6628

7 TU/e eindhoven university of technology / department of chemical engineering and chemistry MECC migration index prediction From: Yasushi Ishihama et al, Anal. Chem. 68(1996) MECC predict

8 TU/e eindhoven university of technology / department of chemical engineering and chemistry logP (octanol/water) sources Experimental values (literature) Website (http://esc.syrres.com/interkow) Software: ACD/logP (ACD/Labs) CLOGP (BioByte) K OW WIN (Syracuse) SciLogP (SciVision) AccuLogP (Microsimulations) ProLogP (CompuDrug) logP pred

9 TU/e eindhoven university of technology / department of chemical engineering and chemistry Website logP correlationACD/ logP correlation Exp.correl

10 TU/e eindhoven university of technology / department of chemical engineering and chemistry Comparison of two logP estimators comparison

11 TU/e eindhoven university of technology / department of chemical engineering and chemistry Estimation software for pK a values pK estimate

12 TU/e eindhoven university of technology / department of chemical engineering and chemistry Buffer Workshop bufworks

13 TU/e eindhoven university of technology / department of chemical engineering and chemistry Steady-state Steady-state Simulation

14 TU/e eindhoven university of technology / department of chemical engineering and chemistry Dyn. Simul. Dynamic Simulation

15 TU/e eindhoven university of technology / department of chemical engineering and chemistry suggestion ???

16 TU/e eindhoven university of technology / department of chemical engineering and chemistry broaden our horizon for cooperation An estimated value is better than no value Visualization as 1 st step in method development The library is a virtual one There are no borders for information exchange Conclusions

17 TU/e eindhoven university of technology / department of chemical engineering and chemistry The Use of Fluorosurfactant FC-129 in Micellar Electrokinetic Capillary Chromatography Ronny de Ridder 1,2, Francesco Damin 1, Jetse Reijenga 2 and Marcella Chiari 1 1.Institute of Biocatalysis and Molecular Recognition, C.N.R., Milano, Italy 2.Laboratory of Instrumental Analysis, Eindhoven University of Technology, The Netherlands

18 TU/e eindhoven university of technology / department of chemical engineering and chemistry FC-129 N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]glycine, K salt [CAS ], Aldrich (Steinheim, Germany)

19 TU/e eindhoven university of technology / department of chemical engineering and chemistry CMC FC-129 = 0.5 mM CMC SDS = 8 mM CMC determination

20 TU/e eindhoven university of technology / department of chemical engineering and chemistry Experimental Spectra-Phoresis 1000 TM (Thermo Separation Products, Freemont, CA, USA) Fused silica, 50  m ID, 375  m OD L t =400 mm, L d =320 mm, V=20 kV UV 200 nm Injection N/m 2 pressure, 4 s BGE: 12.5 mM Sodium tetraborate pH 9.9

21 TU/e eindhoven university of technology / department of chemical engineering and chemistry Results EOF and Micelle Mobility

22 TU/e eindhoven university of technology / department of chemical engineering and chemistry Results Homologue phenol series

23 TU/e eindhoven university of technology / department of chemical engineering and chemistry Results 2-, 3- and 4-ethylphenol

24 TU/e eindhoven university of technology / department of chemical engineering and chemistry Results retention factors

25 TU/e eindhoven university of technology / department of chemical engineering and chemistry Conclusions EOF- & Micelle mobility comparable systematic decrease in retention factor interesting selectivity differences


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