Quantitative structure-toxicity relationships of organophosphorous pesticides to fish (Cyprinus carpio)
文献类型：期刊论文
| 作者 | Yan, DY; Jiang, X; Yu, GF; Zhao, ZH; Bian, YR; Wang, F |
| 刊名 | CHEMOSPHERE
 |
| 出版日期 | 2006-05-01 |
| 卷号 | 63期号:5页码:744-750 |
| 关键词 | structural parameters organophosphorous pesticides QSTRs fish toxicity |
| ISSN号 | 0045-6535 |
| DOI | 10.1016/j.chemosphere.2005.08.032 |
| 通讯作者 | Jiang, X() |
| 英文摘要 | This study was conducted to determine the relationships between 1381 chemical and structural parameters of 43 organ ophosphorus pesticides (OPs) and their toxicity to fish, Cyprinus carpio, using ChemOffice 8.03 and Dragon 2.1. By multivariate linear regression and intervariable regression analyses, various equations have been derived to calculate the lethal toxicity value, LC50, for 43 OPs found in fish with different levels of toxicity. Results show that for all selected OPs, especially those of low toxic OPs (LC50 < 2.5 mM), the equation, LC50 = 56.259 - 13.071 lgK(ow) + 17.510 MATS8P - 17.455 Mor24u - 0.085 MW + 1.706 (lgK(ow))(2) + 2.306 (Mor14e)(2) + 6.849 Mor20m (n = 43, F = 36.815, r = 0.942, r(adj)(2) = 0.862, SE = 2.899, p < 10(-6)) could account for 86.2% of the variability of the toxic effect. The steric and electronic characteristics and the hydrophobicity of OPs, in particular, are among the most important parameters determining the toxicity of OPs to fish. For the OPs with high toxicity, different structural parameters were introduced into the following two equations: LC50 = 3.795 - 1.195 (Hlp)(2) - 0.037 U - 2.225 MATS3v - 19.593 Tcon (n = 16, F = 56.820, r = 0.977, r(adj)(2) = 0.937 SE = 0.143, p < 10(-6)), where LC50 is less than 2.5mM, and LC50 = 0.341 - 0.561 (HOMA)(2) + 0.231 HOMA (n = 3, r(adj)(2) = 1), where LC50 is less than 0.3 mM. These results suggest that chemical and structural parameters could be useful in modeling chemical reactivity within homologous series of OP compounds and elucidating possible mechanisms associated with different levels of toxicity to fish. (c) 2005 Elsevier Ltd. All rights reserved. |
| 收录类别 | SCI |
| WOS关键词 | MOLECULAR DESCRIPTORS ; AQUATIC TOXICITY ; RANA-JAPONICA ; QSAR ANALYSIS ; MECHANISM ; DERIVATIVES ; TADPOLES ; PHENOLS ; MODEL |
| WOS研究方向 | Environmental Sciences & Ecology |
| WOS类目 | Environmental Sciences |
| 语种 | 英语 |
| WOS记录号 | WOS:000237648900005 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2558578 |
| 专题 | 南京土壤研究所 |
| 通讯作者 | Jiang, X |
| 作者单位 | Chinese Acad Sci, Inst Soil Sci, Steate Key Lab Soil & Sustaible Agr, Nanjing 210008, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yan, DY,Jiang, X,Yu, GF,et al. Quantitative structure-toxicity relationships of organophosphorous pesticides to fish (Cyprinus carpio)[J]. CHEMOSPHERE,2006,63(5):744-750. |
| APA | Yan, DY,Jiang, X,Yu, GF,Zhao, ZH,Bian, YR,&Wang, F.(2006).Quantitative structure-toxicity relationships of organophosphorous pesticides to fish (Cyprinus carpio).CHEMOSPHERE,63(5),744-750. |
| MLA | Yan, DY,et al."Quantitative structure-toxicity relationships of organophosphorous pesticides to fish (Cyprinus carpio)".CHEMOSPHERE 63.5(2006):744-750. |
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来源：南京土壤研究所
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