文献类型： 外文期刊

作者： Lin, Z ¹ ; Wei, D ² ; Wang, X ² ; Yin, K ² ; Zhao, D ² ;

作者机构： 1.Chinese Acad Sci, S China Sea Inst Oceanol, Key Lab Trop Marine Environm Dynam, Guangzhou 510301, Peoples R China

2.Chinese Acad Sci, S China Sea Inst Oceanol, Key Lab Trop Marine Environm Dynam, Guangzhou 510301, Peoples R China; Chinese Acad Fishery Sci, E China Sea Fisheries Res Inst, Key Lab Marine & Estuarine Fisheries, Minist Agr, Shanghai 200090, Peoples R China; Yokohama Natl Univ, Grad Sch Environm & Informat Sci, Hodogaya Ku, Yokohama, Kanagawa 2408501, Japan; Nanjing Univ, Sch Environm, State Key Lab Pollut Control & Resources Reuse, Nanjing 210093, Peoples R China

关键词： mixture toxicity;chemical-chemical interaction;toxicological joint effect;cyanogenic toxicants;aldehydes

期刊名称：SAR AND QSAR IN ENVIRONMENTAL RESEARCH （ 影响因子：3.0； 五年影响因子：2.432 ）

ISSN： 1062-936X

年卷期： 2004 年 15 卷 2 期

页码：

收录情况： SCI

摘要： A QSAR approach was proposed to assess toxicological joint effects based on the mechanism of chemical-chemical interactions between cyanogenic toxicants and aldehydes. It has been observed that the chemical-chemical interaction between cyanogenic toxicants and aldehydes resulted in the formation of carbanion intermediates, and therefore this interaction led to different toxicological joint effects between cyanogenic toxicants and aldehydes. Analysis of this chemical-chemical interaction showed that the formation of carbanion intermediate highly depended on the charge of the carbon atom in the -CHO of aldehydes and this of the carbon atom (C*) in the carbochain of cyanogenic toxicant. By using the Hammett Constant (sigma(p)) to measure the charge of carbon atom in the -CHO of aldehydes, a mechanism-based QSAR approach (M = 0.316 - 4.386sigma(p) with r(2) = 0.933, SE = 0.082, F = 55.389, p = 0.002, M = sum of toxic units) was proposed to assess the toxicological joint effects between alpha-hydroxy-isobutyronitrile and individual aliphatic aldehydes. Another one (M = 0.978 - 0.720sigma(p) with r(2) = 0.852, SE = 0.152, F = 40.148, p = 0.0001) was also proposed to assess the toxicological joint effects between alpha-hydroxy-isobutyronitrile and individual aromatic aldehydes. Lastly, by using the charge of carbon atom (C*) in the carbochain of cyanogenic toxicant, a mechanism-based QSAR model (M = -0.161 - 7.721C* with r(2) = 0.847, SE = 0.227, F = 27.657, p = 0.003) was derived to assess toxicological joint effects between p-nitrobenzaldehyde and cyanogenic toxicants.