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氯代苯胺对斑马鱼的急性毒性及3D-QSAR分析
引用本文:李伟民,尹大强,李时银,王学江,王连生.氯代苯胺对斑马鱼的急性毒性及3D-QSAR分析[J].环境科学研究,2002,15(2):6-7.
作者姓名:李伟民  尹大强  李时银  王学江  王连生
作者单位:南京大学环境学院,江苏,南京,210093
基金项目:国家自然科学基金资助项目 (3 9770 15 3 )
摘    要:研究了2-氯-4-硝基苯胺、4-氯-3-硝基苯胺、2-氯-5-硝基苯胺,2,4-二氯苯胺、3,4-二氯苯胺、2,5-二氯苯胺、2、3-二氯苯胺对斑马鱼(Brachydanio rerio)的96h急性毒性,96hLC50分别为6.99,2.58,8.63,7.79,5.23,0.49mg/L,运用三维定量结构活性相关模型(3D-QSAR)对这些化合物的毒性效应和构效关系进行了分析和评价,估算毒性值与实际观测值相关性较好,相关系数R^2=0.907。

关 键 词:氯代苯胺  斑马鱼  急性毒性  3D-QSAR
文章编号:1001-6929(2002)02-0006-02
收稿时间:2001/8/20 0:00:00

Acute Toxicity of Chloroanilines to Zebra Fish and 3D-QSAR Analysis
LI Wei-min,YIN Da-qiang,LI Shi-yin,WANG Xue-jiang and WANG Lian-sheng.Acute Toxicity of Chloroanilines to Zebra Fish and 3D-QSAR Analysis[J].Research of Environmental Sciences,2002,15(2):6-7.
Authors:LI Wei-min  YIN Da-qiang  LI Shi-yin  WANG Xue-jiang and WANG Lian-sheng
Institution:School of the Environment,Nanjing University,Nanjing 210093,China;School of the Environment,Nanjing University,Nanjing 210093,China;School of the Environment,Nanjing University,Nanjing 210093,China;School of the Environment,Nanjing University,Nanjing 210093,China;School of the Environment,Nanjing University,Nanjing 210093,China
Abstract:The acute toxicities of 7 chloroanilines,i.e.2-chloro-4-nitroaniline,4-chloro-3-nitroaniline,2-chloro-5-nitroaniline,2,4-dichloroaniline,3,4-dichloroaniline,2,5-dichloroaniline and 2,3-dichloroaniline,to zebra fish ( Brachydanio rerio) were studied,and the 96 h LC 50 were 6\^99,2\^58,8\^63,7\^79,6\^08,5\^23 and 0 49 mg/L respectively.3D-QSAR analysis of these chemicals was conducted to study the relationship between molecular structure and biological activity (toxicity),and the observed values were well correlated with the calculated ( R\+2 =0 907).
Keywords:chloroanilines  zebra fish  acute toxicity  3D-QSAR  
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