卤代芳烃生物活性的分子拓扑研究  

Molecular topological research on creaturely activity for halogenated aromatic hydrocarbons

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：《西南民族大学学报（自然科学版）》2006年第3期502-507,共6页Journal of Southwest Minzu University(Natural Science Edition)

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.研究了卤代芳烃对呆鲦鱼急性毒性、鲤鱼毒性、大型蚤毒性、鱼毒性、蝌蚪毒性、酵母菌毒性、呆头鱼毒性和大鼠毒性等八项生物活性分别同卤代芳烃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,可用于预测其它卤代芳烃的生物活性.Based on the elemental electronegative, bonding electron number and bonded hydrogen atomic number, a new molecular topological index is developed for research on creaturely activity for halogenated aronatic hydrocarbons in this paper. With this, the linear relationship between creaturely activity for halogenated aromatic hydrocarbons and the molecular topological index is obtained. It is concluded that the indexes have good structure selectivity and creaturely activity relativity. It can be extended to predict the creaturely activity of other halogenated arometic hydrocarbons.

关 键 词：分子连接性指数 生物活性 卤代芳烃 相关性 PAULING电负性 

分 类 号：O189.11[理学—数学]