中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity

文献类型:期刊论文

作者Lin, ZF ; Zhong, P ; Yin, KD ; Wang, LS ; Yu, HX
刊名CHEMOSPHERE
出版日期2003
卷号52期号:7页码:1199-1208
关键词joint effect of hydrogen bond QSARs mixture toxicity nonpolar-narcotic-chemical mixture polar-narcotic-chemical mixture
ISSN号0045-6535
中文摘要A QSAR model is successfully proposed to predict the toxicity effect on Photobacterium phosphoreum by nonpolar-narcotic-chemical mixtures and/or polar-narcotic-chemical mixtures. For nonpolar-narcotic-chemical mixtures and polar-narcotic-chemical mixtures, their corresponding hydrophobicity-based QSAR models are derived from regression analysis. Comparison of these two QSAR models make us believe that it is the joint effect of hydrogen bond in polar-narcotic-chemical mixture that leads to the difference between these two models. Such joint effect of hydrogen bond can be quantified as A(MH) and B-MH by using the different partition coefficients of mixtures in various organic phase/water systems. And the regression analysis results convinced us that the introduction of A(MH) does improve the quality of the QSAR model with r(2) = 0.948, S.E. = 0.166 and F = 745.201 at P = 0.000 for total 84 mixtures. (C) 2003 Elsevier Science Ltd. All rights reserved.
学科主题Environmental Sciences
收录类别SCI
原文出处PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号WOS:000183945500012
公开日期2011-07-03
源URL[http://ir.scsio.ac.cn/handle/344004/5557]  
专题南海海洋研究所_热带海洋环境国家重点实验室(LTO)
推荐引用方式
GB/T 7714
Lin, ZF,Zhong, P,Yin, KD,et al. Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity[J]. CHEMOSPHERE,2003,52(7):1199-1208.
APA Lin, ZF,Zhong, P,Yin, KD,Wang, LS,&Yu, HX.(2003).Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity.CHEMOSPHERE,52(7),1199-1208.
MLA Lin, ZF,et al."Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity".CHEMOSPHERE 52.7(2003):1199-1208.

入库方式: OAI收割

来源:南海海洋研究所

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