QSAR study on the joint toxicity of 2,4-dinitrotoluene with aromatic compounds to Vibrio fischeri | |
Yuan, X ; Lu, GH ; Zhao, JS | |
刊名 | JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING
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2002 | |
卷号 | 37期号:4页码:573-578 |
关键词 | joint toxicity E-LUMO Log P correlation |
ISSN号 | 1093-4529 |
通讯作者 | Yuan, X, NE Normal Univ, Dept Environm Sci, Changchun 130024, Peoples R China |
中文摘要 | The individual and joint toxicities of binary mixtures of 2,4-Dinitrotoluene (2,4-DNT) and 8 nitrobenzenes and anilines to V. fischeri were determined respectively and their mixture toxicity effects were assessed using the Additivity Index (AI). The energy of the lowest unoccupied molecular orbital (E-LUMO) of studied compounds was calculated and was used to develop QSARs. The prediction models for the individual and mixture toxicity data were respectively: log 1/EC50 = 3.213-0.716 E-LUMO, n=9, r=0.830, s=0.545 and log 1/EC50 = 3.672-0.882 E-LUMO, n=8, r=0.925, s=0.406. The joint toxic effects derived from AI values show that the mixture toxicity of 2,4-DNT and the other nitrobenzenes is synergistic (AI > 0), whilst the mixture toxicity of 2,4-DNT and the anilines is antagonistic (AI < 0). These results confirm that the mixture toxicity is mainly related to intracellular oxidation and reduction. -E-LUMO values of nitrobenzenes are higher. The nitrobenzenes when mixed with 2,4-DNT make the mixture systems easily reduced; the mixture toxicity effect is synergism. On the other hand, -ELUMO values of anilines are lower. The anilines when mixed with 2,4-DNT can make the mixture systems less easily reduced, and the mixture toxicity effect is antagonism. |
学科主题 | Engineering, Environmental; Environmental Sciences |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000175759400016 |
公开日期 | 2011-09-23 |
内容类型 | 期刊论文 |
源URL | [http://210.72.129.5/handle/321005/55481] ![]() |
专题 | 沈阳应用生态研究所_沈阳应用生态研究所_期刊论文 |
推荐引用方式 GB/T 7714 | Yuan, X,Lu, GH,Zhao, JS. QSAR study on the joint toxicity of 2,4-dinitrotoluene with aromatic compounds to Vibrio fischeri[J]. JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING,2002,37(4):573-578. |
APA | Yuan, X,Lu, GH,&Zhao, JS.(2002).QSAR study on the joint toxicity of 2,4-dinitrotoluene with aromatic compounds to Vibrio fischeri.JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING,37(4),573-578. |
MLA | Yuan, X,et al."QSAR study on the joint toxicity of 2,4-dinitrotoluene with aromatic compounds to Vibrio fischeri".JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING 37.4(2002):573-578. |
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