摘要
采用荧光光谱法系统研究了 β CD对o ,m ,p 氨基苯甲酸同分异构体的分子识别作用 ,详细讨论了介质酸度对包合过程的影响 ,测定了它们之间形成包合物的包合常数 ,比较了 β CD对三者的包合能力 ,提出了相应的包合机理 .用一维、二维核磁共振技术对包合部位进行了探讨 ,并结合分子力学计算以及计算机模拟技术提出了包合物的空间构型 .
The molecular recognition interaction of β CD with ortho , meta , para aminobenzoic acid isomers was systematically investigated by using steady state fluorescence spectrum method. The effect of pH value of medium on the inclusion process was discussed in detail. The formation constants of inclusion complexes were determined and the inclusion ability of β CD to aminobenzoic acid isomers was compared. The related mechanism was proposed. Meanwhile, the inclusion position was studied based on 1D, 2D NMR technique. The relative stereodiagrams of inclusion complexes were proposed by combining molecular dynamics calculation and computer simulation technique. The results obtained from molecular dynamics calculation were in accordance with the results of NMR.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
2004年第2期176-182,共7页
Acta Chimica Sinica
基金
国家自然科学基金 (Nos.2 0 1 72 0 35
2 0 2 750 2 2 )
教育部优秀青年教师资助计划
山西省自然科学基金资助项目
