Acta Phys. -Chim. Sin. ›› 2003, Vol. 19 ›› Issue (10): 938-943.doi: 10.3866/PKU.WHXB20031011

• ARTICLE • Previous Articles     Next Articles

Quantitative Structure-enantioselective Retention Relationships Study of 5-arylhydantoins

Zhang Bing;Shang Zhi-Cai;Zhao Wen-Na;Zou Jian-Wei;Hu Gui-Xiang;Yu Qing-Sen   

  1. Chemistry Department, Zhejiang University, Hangzhou 310027; Ningbo Institute of Technology, Zhejiang University, Ningbo 355104
  • Received:2003-04-04 Revised:2003-06-18 Published:2003-10-15
  • Contact: Shang Zhi-Cai

Abstract: Quantitative structure-retention relationships(QSRR ,retention factors k1 and k2 for the first and second eluted enantiomer) as well as quantitative enantioselective retention relationships (QSERR, separation factor α) for a series of 50 chiral 5-arylhydantoins on the Pirkle-type chiral stationary phases are derived by the multiple linear regression analyses calculations using 2D and 3D molecular descriptors including those obtained by quantum chemical calculations. Different interactions between the different configuration and the CSP (chiral state phase) have been detected. The models will be useful to speculate the combining mode between the CSP and the analogues as well as to quantitatively prognosticate the separation of other 5-arylhydanoin analogues on Pirkle type chiral stationary phases.

Key words: Retention factor, Separation factor, Chiral recognition, Quantitive structure-retentionship relationship, Chiral state phases(CSPs)