Chem. J. Chinese Universities ›› 2002, Vol. 23 ›› Issue (6): 1122.

• Articles • Previous Articles     Next Articles

Chiral Recognition Study for the Inclusion Complexes of Amino Acid with β-Cyclodextrin Using a Fast Annealing Evolutionary Algorithm

XIA Bao-Yun, CAI Wen-Sheng, PAN Zhong-Xiao, SHAO Xue-Guang   

  1. Department of Chemistry, University of Science and Technology of China, Hefei 230026, China
  • Received:2001-04-10 Online:2002-06-24 Published:2002-06-24

Abstract: Chiral recognition of β-amino acid derivatives by charged β-cyclodextrins, mono-NH3+-β-CD, per NH3+-β-CDand per CO2-β-CD, has been studied by using a fast annealing evolutionary algorithm(FAEA) in this paper. The analysis of each energy term shows that the main driving forces of the inclusion complexation are from the electrostatic force and van der Waals forces, and the electrostatic forces are crucial in the enantioselectivity of S/Renantiomers.

Key words: Chagerd β-cyclodextrins, Fast annealing evolutionary algorithm(FAEA), α-Amino acid derivatives, Chiral recognition

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