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《Chemical Research In Chinese Universities》 2002-06
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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 (Department of Chemistry, University of Science and Technology of China, Hefei 230026, China)  
Chiral recognition of β amino acid derivatives by charged β cyclodextrins, mono NH + 3 β CD, per NH + 3 β CD and per CO 2 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/R enantiomers.
【Fund】: 国家自然科学基金 (批准号 :2 9975 0 2 7);; 中国科学技术大学青年基金资助
【CateGory Index】: O641.4
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