卤代苯胺和卤代苯酚生物活性的分子拓扑研究  

Molecular topological research on creaturely activity forhalogenated phenylamine and halogenated 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：《西南民族大学学报（自然科学版）》2008年第4期724-730,共7页Journal of Southwest Minzu University(Natural Science Edition)

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.研究了卤代苯胺和卤代苯酚对水生生物(Golden orfe)毒性、发光菌毒性、鱼毒性,抗菌活性,呆鲦鱼毒性和诱发浮萍萎黄病毒性等生物活性分别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,可用于预测其它卤代苯胺和卤代苯酚的生物活性.Based 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 and halogenated phenols in this paper. With this, the linear relationship between creaturely activity for halogenated phenylamine （ or halogenated phenols）and the molecular topological index is obtained. It is conducled that the indexes are near-good structure sclectivity and creaturely activity relativity. It can be extended to predict the creaturely activity of other halogenated phenylamine and halogenated phenols.

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

分 类 号：O6-051[理学—化学]