Molecular Modeling of Cyclodextrin-Guest Molecule Interactions
- 1 March 1989
- journal article
- research article
- Published by Taylor & Francis in Journal of Liquid Chromatography
- Vol. 12 (3) , 337-343
- https://doi.org/10.1080/01483918908051738
Abstract
Inclusion complexes formed with substituted aromatic compounds and ß-cyclodextrin were studied using molecular modeling techniques. Energies of the MM2 optimized structures were correlated with HPLC retention times. A direct correlation between the inclusion complex stability and the HPLC retention times for the bonded ß-cyclodextrin was found within a series of disubstituted aromatic compounds. Evidence for a secondary mechanism of separation was found.This publication has 14 references indexed in Scilit:
- Direct liquid chromatographic separation of racemates with an .alpha.-cyclodextrin bonded phaseAnalytical Chemistry, 1987
- New methods in computer-aided drug designAccounts of Chemical Research, 1987
- Free Drug Monitoring by Liquid Chromatography and Implications for Therapeutic Drug MonitoringJournal of Liquid Chromatography, 1987
- High Performance Liquid Chromatography Separations of Nitrosamines. I. Cyclic NitrosaminesJournal of Liquid Chromatography, 1986
- Separation of Drug Stereoisomers by the Formation of β-Cyclodextrin Inclusion ComplexesScience, 1986
- Improved Cyclodextrin Chiral Phases: A Comparison and ReviewJournal of Liquid Chromatography, 1986
- Separation of Mycotoxins, Polycyclic Aromatic Hydrocarbons, Quinones, and Heterocyclic Compounds on Cyclodextrin Bonded Phases: An Alternative LC PackingJournal of Liquid Chromatography, 1985
- Chiral Stationary Phases for High Performance Liquid Chromatographic Separation of Enantiomers: A Mini-ReviewJournal of Liquid Chromatography, 1984
- Cyclodextrin Inclusion Compounds in Research and IndustryAngewandte Chemie International Edition in English, 1980
- Cyclodextrin ChemistryPublished by Springer Nature ,1978