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Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
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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Publikationstyp
Artikel: Journalartikel
Dokumenttyp
Wissenschaftlicher Artikel
Herausgeber
Schmitt-Kopplin, P.
Schlagwörter
semi-empirical model; mobility simulation; separation optimization; s-triazines; aminoalcohols; formaldehyde releasers
ISSN (print) / ISBN
1064-3745
e-ISSN
1940-6029
Konferenztitel
Capillary Electrophoresis: Methods and Protocols
Zeitschrift
Methods in Molecular Biology
Quellenangaben
Band: 384,
Seiten: 593-609
Reihe
Methods in Molecular Biology
Verlag
Springer
Verlagsort
Berlin [u.a.]
Begutachtungsstatus
Peer reviewed
Institut(e)
Institute of Ecological Chemistry (IOEC)