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Structural rationale for the chiral separation and migration order reversal of clenpenterol enantiomers in capillary electrophoresis using two different [small beta]-cyclodextrins

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

Authors:   Antonio Salgado; Elene Tatunashvili; Ann Gogolashvili; Bezhan Chankvetadze; Federico Gago
Journal:   Physical Chemistry Chemical Physics
Volume:   19
edition:   41
Pages:   27935
DOI:   10.1039/C7CP04761D
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