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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