摘要
基于元素的Pauling电负性,原子成σ键的电子数,原子直接键连的成σ键的氢原子数目和原子在形成离域π键时所提供的P电子数,定义了一种原子点价公式,构建了分子连接性指数。研究了醇、醚、酮和酯对水生生物(Golden orfe)毒性、蝌蚪麻醉活性、沙蠋幼虫麻醉活性、番茄植物毒性、红蜘蛛毒性、藤壶幼虫麻醉活性、局部麻醉剂活性和小鼠毒性等八种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,可用于预测其它醇、醚、酮和酯的生物活性。
On the eleetronegative elements, bonding electron number and bonded hydrogen atomic number, new molecular topological index is developed to do research on creaturely activity for alcohol, aether, ketone and ester in this paper. The linear relationship between creaturely activity for alcohol, aether, ketone and ester and the molecular topological index is obtained. It is concluded that the indexes have good structure selectivity and creaturely activity relativity which can be extended to predict the creaturely activity of other alcohol, aether, ketone and ester.
出处
《四川文理学院学报》
2008年第2期40-43,共4页
Sichuan University of Arts and Science Journal
关键词
分子拓扑指数
生物活性
醇
醚
酮
酯
相关性
molecular topological index
creaturely activity
alcohol
aether
ketone
ester
correlativity
