| 取代芳烃对酵母菌毒性的定量结构－活性相关研究 |
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| 引用本文： | 廖宜勇,周玳,刘征涛,韩朔睽,王连生.取代芳烃对酵母菌毒性的定量结构－活性相关研究[J].环境科学学报,1996(3). |
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| 作者姓名： | 廖宜勇 周玳 刘征涛 韩朔睽 王连生 |
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| 作者单位： | 南京大学环境科学与工程系 |
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| 摘 要： | 定量测定了苯胺类、苯甲酸类、卤代苯类、苯腈类、硝基苯类、苯酚类等６类化合物对酵母菌的生长抑制毒性，结果表明化合物的最小产生清晰抑菌圈浓度Ｃ＿（ｍｉｚ）与辛醇－水分配系数及一阶分子连接性价指数有如下关系：ｌｏｇ（１／Ｃ＿（ｍｉｚ））＝０．３８ｌｏｇＫ＿（ｏｗ）＋０．３３￣１Ｘ￣ｖ－０．３８ｒ＝０．９２ｓ＝０．２２ｎ＝７７．在上述６类取代苯类化合物中，它们与酵母菌的反应性大小有如下顺序：卤代苯类≈苯甲酸类＜苯胺类＜苯腈类＜苯酚类＜硝基苯类化合物；用Ｆｒｅｅ－Ｗｉｌｓｏｎ法研究各基团对酵母菌毒性的贡献大小，其顺序为：—Ｂｒ（０．８４）＞—Ｃｌ（０．５４）＞—ＣＨ＿３（０．３９）＞—ＮＯ＿２（０．３５）＞—ＣＯＯＨ（０．１９）≈—ＯＨ（０．１７）≈—ＣＨＯ（０．１７）≈—ＣＮ（０．１４）＞—Ｆ（—０．０３）＞—ＮＨ＿２（—０．０８）．苯胺类、苯腈类、苯酚类、硝基苯类化合物对酵母菌的毒性与化合物的分子连接性指数３Ｘｖ、４Ｘ、３Ｘ有良好的相关性．
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| 关 键 词： | 毒性评价，酵母菌，定量－结构活性相关． |
A QSARs STUDY ON THE TOXICITY OF SUBSTITUTED BENZENET YEAST SACCHAROMYCES CEREVISIAE |
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| Liao Yiyong, Zhou Dai, Liu Zhengtao, Han Shuokui, Wang Liansheng.A QSARs STUDY ON THE TOXICITY OF SUBSTITUTED BENZENET YEAST SACCHAROMYCES CEREVISIAE[J].Acta Scientiae Circumstantiae,1996(3). |
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| Authors: | Liao Yiyong Zhou Dai Liu Zhengtao Han Shuokui Wang Liansheng |
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| Abstract: | The toxicities of 78 substituted benzene to years Saccharomyces Cerevisiae were studied.A QSAR equation was derived to predict the minimum inhibition zone concentration (Cmiz):log(1/Cmiz) = 0. 38 logKow+ 0. 33 1 Xv -0. 38 r =0. 94 s = 0. 22 n = 77The toxicities of the substituted groups on benzene decrease in following order based on FreeWilson analysis :-Br (0. 84)> - (0. 54)> - (0. 39)>- NO_2 (0. 35)> -COOH (0. 19)=-OH (0. 17)= -CHO (0.17)=-CN (0. 14)>-F (-0. 03)>-NH_2 (-0. 08).The relationship between the toxicity and the molecular connectivity indices was also discussed. |
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| Keywords: | toxicity assessment QSARs yeast saccharomyces cerevisiae |
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