Post on 31-Mar-2015
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Software and Internet Resources for Capillary Electrophoresis
Jetse Reijenga1* and Hian Kee Lee2
1 Eindhoven University of Technology, Netherlands2 National University of Singapore
titletitel
TU/eeindhoven 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
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
E-mail discussion list: cze-itp@muni.czaround 480 CE users, 1-25 e-mails/week
Subscribe by sending to listserv@muni.cz the message:SUBSCRIBE CZE-ITP firstname lastname
my co-author:chmleehk@nus.edu.sg
@muni.czVirtual community
TU/eeindhoven 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)• e-mail• Chat (e.g. ICQ)• Internet telephony (e.g. DialPad)• Webcam (e.g. Netmeeting)
communication
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Analytical literature on CD-ROM
Anal. literature
22899
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
CE literature data base
CE literature
d.perret@mds.qmw.qc.uk
6628
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
MECC migration index prediction
From: Yasushi Ishihama et al, Anal. Chem. 68(1996) 1028-1032
MECC predict
TU/eeindhoven 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)• KOWWIN (Syracuse)• SciLogP (SciVision)• AccuLogP (Microsimulations)• ProLogP (CompuDrug)
logP pred
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Website logP correlation ACD/ logP correlation
Exp.correl
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Comparison of two logP estimators
comparison
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Estimation software for pKa values
pK estimate
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Buffer Workshop
bufworks
mbello@zarak.com
TU/eeindhoven university of
technology
/department of chemical engineering and chemistrySteady-
state
Steady-state Simulation
IT@oemdata.nl
TU/eeindhoven university of
technology
/department of chemical engineering and chemistryDyn.
Simul.
Dynamic Simulation
gas@mail.natur.cuni.cz
TU/eeindhoven university of
technology
/department of chemical engineering and chemistrysuggestion
???mbello@zarak.com
gas@mail.natur.cuni.czIT@oemdata.nl
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
• 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
Conclusions
Conclusions
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
The Use of Fluorosurfactant FC-129 in Micellar Electrokinetic Capillary
ChromatographyRonny de Ridder1,2, Francesco Damin1, Jetse Reijenga2 and Marcella Chiari1
1. Institute of Biocatalysis and Molecular Recognition, C.N.R., Milano, Italy
2. Laboratory of Instrumental Analysis, Eindhoven University of Technology,The Netherlands
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
FC-129
N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]glycine, K salt
[CAS 2991-51-7], Aldrich (Steinheim, Germany)
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
CMCFC-129 = 0.5 mM
CMCSDS = 8 mM
CMC determination
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Experimental
Spectra-Phoresis 1000TM
(Thermo Separation Products, Freemont, CA, USA)
Fused silica, 50m ID, 375 m OD Lt=400 mm, Ld=320 mm, V=20 kVUV detection @ 200 nmInjection 5.17.103 N/m2 pressure, 4 s BGE: 12.5 mM Sodium tetraborate pH 9.9
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Results EOF and Micelle Mobility
EOFmobility
MICELLEmobility
Migrationwindow
Mean sd Mean sd15 mM SDS 63.1 0.6 -39.9 0.8 2.720 mM SDS 65.8 -40.4 2.615 mM FC-129 60.3 0.0 -38.6 0.8 2.820 mM FC-129 59.1 0.7 -39.4 0.6 3.0
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Results Homologue phenol series
SDS FC-12915 mM 20 mM 15 mM 20 mM
Phenol 16000 23000 31000 47000o-cresol 19000 24000 43000 400002-ethylphenol 22000 33000 42000 550002-propylphenol 19000 45000 58000 80000
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Results 2-, 3- and 4-ethylphenol
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Results retention factors
FC-129 SDS FC-129 SDS15 mM 20 mM
o-cresol 0.32 0.42 0.26 0.56m-cresol 0.42 0.46 0.31 0.60p-cresol 0.42 0.46 0.33 0.602-ethylph 0.50 0.68 0.41 1.13-ethylph 0.68 0.76 0.50 1.24-ethylph 0.84 0.84 0.60 1.3
TU/eeindhoven university of
technology
/department of chemical engineering and chemistry
Conclusions
• EOF- & Micelle mobility comparable
• systematic decrease in retention factor
• interesting selectivity differences