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Generalized model of the linear theory of electromigration and its application to electrokinetic chromatography: Theory and software PeakMaster 6—Next Generation
Author(s) -
Malý Michal,
Dovhunová Magda,
Dvořák Martin,
Gerlero Gabriel S.,
Kler Pablo A.,
Hruška Vlastimil,
Dubský Pavel
Publication year - 2019
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/elps.201800400
Subject(s) - electrokinetic phenomena , electromigration , software , computer science , nonlinear system , analyte , electrolyte , electropherogram , mathematics , statistical physics , algorithm , chemistry , capillary electrophoresis , physics , chromatography , quantum mechanics , electrode , programming language
Abstract The linear theory of electromigration, including the first‐order nonlinear approximation, is generalized to systems with any equilibria fast enough to be considered instantaneous in comparison with the timescale of peak movement. For example, this theory is practically applied in the electrokinetic chromatography (EKC) mode of the CZE. The model enables the calculation of positions and shapes of analyte and system peaks without restricting the number of selectors, the complexation stoichiometry, or simultaneous acid–base equilibria. The latest version of our PeakMaster software, PeakMaster 6—Next Generation, implements the theory in a user‐friendly way. It is a free and open‐source software that performs all calculations and shows the properties of the background electrolyte and the expected electropherogram within a few seconds. In this paper, we mathematically derive the model, discuss its applicability to EKC systems, and introduce the PeakMaster 6 software.