中文摘要：

利用紫外-可见吸收和荧光发射光谱。结合非线性最小二乘法拟合曲线以及分子力学（MM2）模拟系统地研究了手性分子N-E4-（1-芘基）]丁酰-D／L-苯丙氨酸（PDP和PLP，总称PPs）与β-环糊精（β-CD）、2一位硒桥联双β-CD（2-SeCD）和2-位碲桥联双β-CD（2-TeCD）的包结能力大小及这3个环糊精对PPs手性识别能力的差异和识别机理．研究结果表明。PPs不能与单疏水空腔的β-CD形成很好的包结复合物，与具有较长桥联链的2-TeCD结合能力最强．2-TeCD与PDP和PLP的结合常数分别为2．33×10^4和6．07×10^3L／mol，对PP8的手性识别比达到KD／KL=3．84，高于2-SeCD（KD／KL=2．61）．用MM2模拟得出了PPs与这两个双环糊精形成复合物的三维结构：PPs的绝大部分位于双环糊精两个空腔之间，但是在这两个复合物中，苯环与芘环所成的二面角不同．此外，PPs与这两个双环糊精作用时均存在明显的氢键相互作用，且2-TeCD强于2-SeCD．

英文摘要：

The binding ability and chiral discrimination of β-cyclodextrin （β-CD）, 2,2＇-diseleno-bridged β- cyclodextrins （ 2-SeCD ） and 2,2 ＇-ditelluro-bridged β-cyclodextrins （ 2-TeCD ） with PPs were investigated in aqueous solution by using UV-Vis and fluorescence spectroscopy as well as MM2 calculation. The stability constants of complexes were obtained by using least-square curve fitting. From the results of UV-Vis and fluorescence spectroscopy, it was shown that β-CD could not form inclusion complexation with PPs while 2-SeCD and 2-TeCD could. The binding ability between 2-TeCD and PDP was higher（Ka = 2.33 × 10^4 L/mol） than that of 2-SeCD/PDP（Ka = 3.03 × 10^3 L/mol）. Meanwhile, the high chiral discrimination of PPs was also performed in binding with 2-TeCD（KD/KL = 3.84）and 2-SeCD（KD/KL = 2.61 ）. Furthermore, the MM2 calculation illustrates that PPs were located between the two cavities of 2-SeCD or 2-TeCD, however, the dihedral angle between phenyl ring and pyrene ring was different from each other when they were included in two bis-cyclodextrins. Meanwhile, MM2 also demonstrates that the intermolecular hydrogen bonding interaction in 2-TeCD/PPs complex was relative stronger than that in 2-SeCD/PPs.