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

Author:

Salgado Antonio12345ORCID,Tatunashvili Elene678910,Gogolashvili Ann678910,Chankvetadze Bezhan678910,Gago Federico114512ORCID

Affiliation:

1. NMR Spectroscopy Centre (CERMN)

2. CAI Químicas

3. Faculty of Pharmacy

4. University of Alcalá

5. E-28805 Alcalá de Henares

6. Institute of Physical and Analytical Chemistry

7. School of Exact and Natural Sciences

8. Tbilisi State University

9. 0179 Tbilisi

10. Georgia

11. Department of Biomedical Sciences (Unidad Asociada IQM-CSIC) and Instituto de Investigación Química “Andrés M. del Río” (IQAR)

12. Spain

Abstract

The observed reversal of migration order of clenpenterol enantiomers in capillary electrophoresis runs was studied by NMR, molecular dynamics simulations and theoretical chemistry calculations.

Funder

Shota Rustaveli National Science Foundation

Secretaría de Estado de Investigación, Desarrollo e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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