The study of chiral discrimination of organophosphonate derivatives on pirkle type chiral stationary phase by molecular modeling.
Molecular modeling and molecular dynamics (MD) have been used to study the chiral discrimination and interaction energy of organophosphonate in N-(3,5-dinitrobenzoyl)-S-leucine chiral stationary phase (CSP). The elution order of the enantiomers can be predicted from the interaction energy. Quantitative structure-retention relationship (QSRR) has also been used as an alternative method to confirm the elution order of enantiomers. Molecular mechanics (MM), molecular dynamics and QSRR proved to be useful methods to study chiral discrimination.
Yang
Guo-Sheng
GS
Shandong Key Laboratory of Chemical Function Materials, Shandong Normal University, Jinan 250014, PR China; Department of Chemistry, Shandong University, Jinan 250100, PR China.
Yuan
Shi-Ling
SL
Lin
Xian-Jie
XJ
Qi
Zhong-Nan
ZN
Liu
Cheng-Bu
CB
Aboul-Enein
Hassan Y
HY
Félix
Guy
G