Citation: Meng Yan NIE, Liang Mo ZHOU, Qing Hai WANG, Dao Qian ZHU. Molecular Dynamic Study for Chiral Discrimination of α-Phenylethylamine by Modified Cyclodextrin in Gas Chromatography[J]. Chinese Chemical Letters, ;2000, 11(4): 347-350. shu

Molecular Dynamic Study for Chiral Discrimination of α-Phenylethylamine by Modified Cyclodextrin in Gas Chromatography

Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116012

Received Date: 19 November 1999

Fund Project: Financial support from the NSFC (Project No.29775025) is gratefully acknowledged.

A molecular dynamic method in conjunction with a statistic test has been utilized to model chiral recognition of α-phenylethylamine on heptakis (2,6-di-O-butyl-3-O-butyryl)-β-cyclodextrin in gas chromatography. The modelling data correlated with the chromatographic elution order, and indicated that the preferred site of α-phenylethylamine is the interior of cavity.
- Molecular modelling,
- modified cyclodextrin,
- chiral recognition
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