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Optimization of background electrolytes for capillary electrophoresis: II. Computer simulation and comparison with experiments
Author(s) -
Jaroš Michal,
Včeláková Kateřina,
Zusková Iva,
Gaš Bohuslav
Publication year - 2002
Publication title -
electrophoresis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.666
H-Index - 158
eISSN - 1522-2683
pISSN - 0173-0835
DOI - 10.1002/1522-2683(200208)23:16<2667::aid-elps2667>3.0.co;2-s
Subject(s) - electrolyte , capillary electrophoresis , analyte , electromigration , ionic strength , electrophoresis , analytical chemistry (journal) , chemistry , conductivity , dissociation (chemistry) , ionic bonding , ionic conductivity , ion , biological system , materials science , chromatography , organic chemistry , electrode , aqueous solution , composite material , biology
A mathematical and computational model described in the previous paper (Gas, B., Coufal, P., Jaros, M., Muzikár, J., Jelínek, L., J. Chromatogr. A 2001, 905, 269-279) is adapted, algorithmized, and a computer program PeakMaster having a status of freeware (http://natur.cuni.cz/ approximately gas) is introduced. The model enables optimization of background electrolyte (BGE) systems for capillary zone electrophoresis. The model allows putting to use uni- or di- or trivalent electrolytes and allows also for modeling highly acidic or alkaline BGEs. It takes into account the dependence of ionic mobilities and dissociation of weak electrolytes on the ionic strength. The model calculates the effective mobility of analytes and predicts parameters of the system that are experimentally available, such as the transfer ratio, which is a measure of the sensitivity in the indirect UV detection or the molar conductivity detection response, which expresses the sensitivity of the conductivity detection. Further, the model enables evaluation of a tendency of the analyte to undergo electromigration dispersion or peak broadening. The suitability of the model is verified by comparison of the predicted results with experiments, even under conditions that are far from ideal (under extreme pH and a high ionic strength).