Structural rationale for the chiral separation and migration order reversal of clenpenterol enantiomers in capillary electrophoresis using two different β-cyclodextrinsElectronic supplementary information (ESI) available: Experimental procedures, theoretical methods and NMR spectra. See DOI: 10.1039/c7cp04761d

NMR spectroscopy experiments, molecular dynamics simulations, and theoretical chemistry calculations provide insight into the structural and energetic determinants of the distinct binding of clenpenterol enantiomers to two cyclodextrins and the migration order reversal of their respective inclusion...

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Bibliographic Details
Main Authors Salgado, Antonio, Tatunashvili, Elene, Gogolashvili, Ann, Chankvetadze, Bezhan, Gago, Federico
Format Journal Article
LanguageEnglish
Published 25.10.2017
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Summary:NMR spectroscopy experiments, molecular dynamics simulations, and theoretical chemistry calculations provide insight into the structural and energetic determinants of the distinct binding of clenpenterol enantiomers to two cyclodextrins and the migration order reversal of their respective inclusion complexes in capillary electrophoresis. The observed reversal of migration order of clenpenterol enantiomers in capillary electrophoresis runs was studied by NMR, molecular dynamics simulations and theoretical chemistry calculations.
Bibliography:Electronic supplementary information (ESI) available: Experimental procedures, theoretical methods and NMR spectra. See DOI
10.1039/c7cp04761d
ISSN:1463-9076
1463-9084
DOI:10.1039/c7cp04761d