苯酚、苯胺及其衍生物对斜生栅列藻的急性毒性及QSAR研究
THE ACUTE TOXICITY OF ANILINE, PHENOL DERIVATIVES TO THE SCENEDESMUS OBLIQUUS AND QSAR STUDY
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摘要: 本文应用OECD标准方法测定了18种酚类、胺类化合物对斜生栅列藻的48h-EC50值.选择参数ELUMO和lgKOW进行了QSAR分析,得到下列回归方程:-lgEC50=2.541-0.649ELUMO+0.299lgKOW,n=18,r=0.903,SE=0.314应用所得方程计算了化合物的毒性,探讨了毒性机理.Abstract: 50% effective inhibition concentration 48h-EC50 values of 18 aniline and phenol derivatives to Scenedesmus obliquus were measured . The qualitative structure-activity relationship (QSAR) studies were performed with the toxicity and 2 parameters of ELUMO and lgKOW. Satisfactory equation was developed as follow:-IgEC50 = 2.503-0.649ELUMO+ 0.2991lgKow n=18 r= 0.903 SE= 0.314.The QASR model was used to estimate the toxicities and discussed the intoxication mechanism.
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Key words:
- aniline /
- phenol /
- Scenedesmus obliquus /
- toxicity /
- QSAR
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