A molecular dynamic method in conjunction with a statistic test has been utilized to model chiral recognition of a-phenylethylamine on heptakis (2.6-di-O-butyl-3-O-butyryl)-β- cyclodextrin in gas chromatography. The ...A molecular dynamic method in conjunction with a statistic test has been utilized to model chiral recognition of a-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.展开更多
文摘A molecular dynamic method in conjunction with a statistic test has been utilized to model chiral recognition of a-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.
