氯代苯生物活性的分子拓扑研究  

Molecular Topological Research on Creaturely Activity for Halogenated Phenylamine,Chlorinated Aromatic Hydrocarbons and Chlorinated Phenols

作　　者：舒元梯[1] 

机构地区：[1]乐山师范学院化学与生命科学系,四川乐山614000

出　　处：《达县师范高等专科学校学报》2006年第5期46-49,共4页Journal of Daxian Teachers College

基　　金：乐山师范学院资助科研项目(ZA0204)

摘　　要：基于元素的Pauling电负性、原子成σ键的电子数,原子直接键连的氢原子数目和原子在形成离域π键时所提供的Pz电子数,定义了一种原子点价公式,构建了分子连接性指数。研究了氯代苯对呆鲦鱼急性毒性、鲤鱼毒性、大型蚤毒性、鱼毒性、蝌蚪毒性、酵母菌毒性、呆头鱼毒性等生物活性同其分子连接性指数的相关性。结果表明:分子连接性指数具有良好的结构选择性和性质相关性,可用于预测氯代苯的生物活性。On the elemental electronegative, bonding electron number and bonded hydrogen atomic number, new molecular topological index is developed for research on creaturely activity for halogenated phenylamine, chlorinated aromatic hydrocarbons and chlorinated phenols in this paper. With this, the linear relationship between creaturely activity for halogenated phenylamine （ chlorinated aromatic hydrocarbons or chlorinated phenols） and the molecular topological index is obtained. It concludes that the indexes near good structure selectivity and creaturely activity relativity. It can be extended to predict the creaturely activity of other chlorinated aromatic hydrocarbons.

关 键 词：分子连接性指数 生物活性 氯代苯 相关性 PAULING电负性 

分 类 号：O612.7[理学—无机化学]