引用本文:刘征涛,张 颖,徐镜波,盛连喜,等.烷基酚类化合物对发光菌的定量构效相关研究[J].环境科学研究,2001,14(6):5-8.
LIU Zheng-tao,ZHANG Ying,XU Jing-bo,SHENG Lian-xi,et al.Research on QSAR of Alkyl Phenolic Compound to Photobacterium Phosphoreum[J].Reserrch of Environmental Science,2001,14(6):5-8.]
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烷基酚类化合物对发光菌的定量构效相关研究
刘征涛1, 张 颖2, 徐镜波2, 盛连喜2
1.中国环境科学研究院分析测试中心,北京,100012;2.东北师范大学城市与环境科学学院,吉林长春,130024
摘要:
用发光菌(明亮发光菌T3变种)对16种烷基酚进行了毒性测试(EC50),并利用分子连接性指数、辛醇/水分配系数及电子参数进行毒性预测,在实验基础上获得有效的估测模式,并对活性作用机制进行了探讨.
关键词:  烷基酚类化合物  分子连接性  构效相关(QSAR)  电性常数  EC50  
DOI:
分类号:
基金项目:国家自然科学基金资助项目(29977020)
Research on QSAR of Alkyl Phenolic Compound to Photobacterium Phosphoreum
LIU Zheng-tao1, ZHANG Ying2, XU Jing-bo2, SHENG Lian-xi2
1.Chinese Research Academy of Environmental Sciences,Beijing 100012,China;2.Northeast Normal University, Changchun 130024, China
Abstract:
The toxicity (EC50) of sixteen alkyl phenolic compounds to photobacterium phosphoreum was determined.The toxicity was projected using molecular connectivity indicator,n-octanol/water partition coefficient and electronic parameters.The effective estimation model was acquired based on experiments and the mechanism of active effect was discussed.
Key words:  alkyl phenolic compounds  molecular connectivity  QSAR  electric property constant  EC50