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Simulation of the effects of complex-formation equilibria in electrophoresis: III. Simultaneous effects of chiral selector concentration and background electrolyte pH
J. Svobodová, M. Beneš, P. Dubský, G. Vigh, B. Gaš,
Jazyk angličtina Země Německo
Typ dokumentu časopisecké články, práce podpořená grantem
NLK
Medline Complete (EBSCOhost)
od 2012-10-01 do Před 1 rokem
Wiley Online Library (archiv)
od 1999-01-01 do 2012-12-31
PubMed
22996563
DOI
10.1002/elps.201200293
Knihovny.cz E-zdroje
- MeSH
- chemické modely * MeSH
- dipeptidy chemie izolace a purifikace MeSH
- elektroforéza kapilární * MeSH
- elektrolyty MeSH
- koncentrace vodíkových iontů MeSH
- počítačová simulace MeSH
- software MeSH
- stereoizomerie MeSH
- tropany chemie izolace a purifikace MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
This paper describes the results of the second-level testing of the simulation program Simul 5 Complex. We compare the published experimental results with the simulated migration behavior of the enantiomers at different pH and chiral selector concentration values and use the same optimization object function, separation selectivity, as the original papers. Simul 5 Complex proved to be a suitable tool for the prediction of the effective mobilities, separation selectivities, and migration order reversals in these pH-dependent and CD concentration dependent enantiomer separations. In addition, by performing simulations of four different separations systems (both real and model systems), Simul 5 Complex revealed the existence of unexpected and hitherto unexplained electromigration dispersion effects that were caused by the complexation process itself and could significantly impair the quality of the separations.
Citace poskytuje Crossref.org
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