| 取代芳烃与6种生物毒性的定量构效关系 |
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| 引用本文： | 舒茜.取代芳烃与6种生物毒性的定量构效关系[J].四川师范大学学报(自然科学版),2011,34(3):401-405. |
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| 作者姓名： | 舒茜 |
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| 作者单位： | 乐山职业技术学院新能源工程系,四川乐山,614000 |
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| 基金项目： | 四川省教育厅自然科学重点基金(07ZA109)资助项目 |
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| 摘 要： | 根据成键原子的结构特征,提出了计算取代芳烃原子点价δi的新方法,并由δi建构了取代芳烃的分子连接性指数mXn,用mXn与取代芳烃对斜生栅列藻急性毒性,诱发浮萍萎黄病毒性、绿藻毒性、大型蚤毒性、斑马鱼毒性和金鱼毒性等6项生物活性相关联,获得令人满意的线性回归方程,相应的相关系数r依次为0.975 8、0.984 6、0....
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| 关 键 词： | 分子连接性指数 取代芳烃 生物活性 斜生栅列藻 大型蚤 相关性 |
QSAR Studing on the Acute Toxicities of Substituted Aromatic Hydrocarbon to Six Kinds of Organisms Based on Their Molecular Connectivity Index |
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| SHU Qian.QSAR Studing on the Acute Toxicities of Substituted Aromatic Hydrocarbon to Six Kinds of Organisms Based on Their Molecular Connectivity Index[J].Journal of Sichuan Normal University(Natural Science),2011,34(3):401-405. |
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| Authors: | SHU Qian |
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| Institution: | SHU Qian(Department of New Energy Engineering,Leshan Vocational & Technical College,Leshan 614000,Sichuan) |
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| Abstract: | According to the structural characteristics of the bonding atoms,this paper puts forward a new method to calculate the atomic valence δi of the substituted aromatic hydrocarbon,and constitutes the molecular connection index mXn.mXn and the acute toxicity of these compounds to Scenedesmus obliquus,Duckweed-induced chlorosis,Green algae,Daphnia,Zebrafish and Goldfish were used to establish the quantitative structure-activity relationship(QSAR).A satisfactory linear regression equation between the molecular connective index and the bioactivity of substituted arene is obtained.Their correlation coefficients are 0.975 8,0.984 6,0.930 4,0.916 0,0.963 1 and 0.989 8,respectively.The results indicate that the molecular connection indexes have good relativity,which can be extended to predict the bioactivity of other substituted arenes. |
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| Keywords: | molecular connective index substituted aromatic hydrocarbon bioactivity Scenedesmus obliquus Daphnia correlativity |
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