Title of article :
The study of chiral discrimination of organophosphonate derivatives on pirkle type chiral stationary phase by molecular modeling
Author/Authors :
Yang، نويسنده , , Guo-Sheng and Yuan، نويسنده , , Shi-Ling and Lin، نويسنده , , Xian-Jie and Qi، نويسنده , , Zhong-Nan and Liu، نويسنده , , Cheng-Bu and Aboul-Enein، نويسنده , , Hassan Y. and Félix، نويسنده , , Guy، نويسنده ,
Issue Information :
ماهنامه با شماره پیاپی سال 2004
Abstract :
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.
Keywords :
molecular modeling , Chiral discrimination , Molecular dynamics , N-(3 , Organophosphonate derivatives , 5-dinitrobenzoyl)-l-leucine chiral stationary phase , QSRR
