QSAR study on the joint toxicity of 2,4-dinitrotoluene with aromatic compounds to Vibrio fischeri

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	QSAR study on the joint toxicity of 2,4-dinitrotoluene with aromatic compounds to Vibrio fischeri
	Yuan, X; Lu, GH; Zhao, JS; Yuan, X, NE Normal Univ, Dept Environm Sci, Changchun 130024, Peoples R China
刊名	JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING
	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
英文摘要	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
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
通讯作者	Yuan, X, NE Normal Univ, Dept Environm Sci, Changchun 130024, Peoples R China
推荐引用方式 GB/T 7714	Yuan, X,Lu, GH,Zhao, JS,et al. 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,&Yuan, X, NE Normal Univ, Dept Environm Sci, Changchun 130024, Peoples R China.(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.