Chemical-chemical interaction between cyanogenic toxicants and aldehydes: A mechanism-based QSAR approach to assess toxicological joint effects
文献类型：期刊论文
| 作者 | Lin, Z ; Wei, D ; Wang, X ; Yin, K ; Zhao, D |
| 刊名 | SAR AND QSAR IN ENVIRONMENTAL RESEARCH
 |
| 出版日期 | 2004 |
| 卷号 | 15期号:2页码:127-138 |
| 关键词 | mixture toxicity chemical-chemical interaction toxicological joint effect cyanogenic toxicants aldehydes |
| ISSN号 | 1062-936X |
| 通讯作者 | lzhifen@yahoo.com |
| 中文摘要 | 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. |
| 学科主题 | Chemistry, Multidisciplinary; Computer Science, Interdisciplinary Applications; Environmental Sciences; Mathematical & Computational Biology; Toxicology |
| 收录类别 | SCI |
| 原文出处 | TAYLOR & FRANCIS LTD |
| WOS记录号 | WOS:000220848100004 |
| 公开日期 | 2011-07-03 |
| 源URL | [http://ir.scsio.ac.cn/handle/344004/5645]  |
| 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, Z,Wei, D,Wang, X,et al. Chemical-chemical interaction between cyanogenic toxicants and aldehydes: A mechanism-based QSAR approach to assess toxicological joint effects[J]. SAR AND QSAR IN ENVIRONMENTAL RESEARCH,2004,15(2):127-138. |
| APA | Lin, Z,Wei, D,Wang, X,Yin, K,&Zhao, D.(2004).Chemical-chemical interaction between cyanogenic toxicants and aldehydes: A mechanism-based QSAR approach to assess toxicological joint effects.SAR AND QSAR IN ENVIRONMENTAL RESEARCH,15(2),127-138. |
| MLA | Lin, Z,et al."Chemical-chemical interaction between cyanogenic toxicants and aldehydes: A mechanism-based QSAR approach to assess toxicological joint effects".SAR AND QSAR IN ENVIRONMENTAL RESEARCH 15.2(2004):127-138. |
入库方式： OAI收割
来源：南海海洋研究所
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