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Open Access Green as soon as Postprint is submitted to ZB.
A semi-empirical approach for a rapid comprehensive evaluation of the electrophoretic behaviors of small molecules in free-zone electrophoresis.
Methods Mol. Biol. 384, 593-609 (2008)
A phenomenological model is proposed for the evaluation of relative electrophoretic migration of charged substances present in mixtures and for the rapid pH optimization prior to capillary zone electrophoresis method development. The simple and robust model is based on the Offord model, which takes account of the chemical structure. The effective charge and the molecular mass of the molecule are needed; the charge can easily be calculated from pK_a obtained from known sources or simulated with existing pK-calculation programs. A first example was chosen with the separation of hydroxy-s-triazines to illustrate the applicability of this simple approach for determination of the first buffer-pH conditions prior experimental method optimization when separation of different ions is needed. In a second example, the confirmation of aminialcohols in the CZE method development of unsaturated hexahydro-triazines and oxasolidines.
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Publication type
Article: Journal article
Document type
Scientific Article
Editors
Schmitt-Kopplin, P.
Keywords
semi-empirical model; mobility simulation; separation optimization; s-triazines; aminoalcohols; formaldehyde releasers
ISSN (print) / ISBN
1064-3745
e-ISSN
1940-6029
Conference Title
Capillary Electrophoresis: Methods and Protocols
Journal
Methods in Molecular Biology
Quellenangaben
Volume: 384,
Pages: 593-609
Series
Methods in Molecular Biology
Publisher
Springer
Publishing Place
Berlin [u.a.]
Reviewing status
Peer reviewed
Institute(s)
Institute of Ecological Chemistry (IOEC)