中文摘要：

用差紫外光谱滴定法考察了新型猪去氧胆酸分子钳1～6对苯胺、对甲氧基苯胺、对硝基苯胺等中性分子的识别性能，测定了主客体间的结合常数（K）和自由能变化（ΔG°）。结果表明，分子钳主体对所考察的客体分子显示良好的识别作用，主客体间形成1：1型超分子配合物，最大结合常数可达3123．46L·mol^-1，识别作用的主要推动力为氢键，范德华力等的协同作用。讨论了主体与客体的识别模式以及客体间形状、大小匹配和几何互补等因素对形成超分子配合物的影响，并利用核磁共振氢谱与计算分子模拟作为辅助手段对实验结果与现象进行了解释。

英文摘要：

Molecular recognition properties of new molecular tweezers based on α - hyodeoxycholic acid 1 ～ 6 have been investigated by using aniline,p - methoxyaniline and p - nitroaniline. The association constants （Ko） and Gibbs free gnergy changes （ΔG°） have been determined by UV - visible spectroscopic titration for inclusion complexes of these molecular tweezers with aromatic amined in CHCl3 at 25℃. The results indicate that the supramolecular complexes formed between the hosts and geests consist of 1 ： 1 host and guest molecules. The greatest association constant reached 3123.46L · mol^-1. The main driving forces come from the hydrogen bonding and van der waals force in molecular recognition. The molecualr recognition abihty is discussed from the viewpoint of the size/shape - fit and geometrical complementary relationship as well as the recognition model between host and guest molecules. ^1H NMR spectroscopy and computer - aided study have been employed to elucidate the binding behavior of these molecular tweezers.