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By applying the di-region theory, in this paper, the quantitative structure-carcinogenic activity relationship of methyl, alkyl, cyelopentano, cyelohexano polycyclic aromatic hydrocarbons (PAH) and cholanthrene series totalling 187 alkyl-substituted PAH compounds is established reasonably and systematically for the first time. The consistent ratio between calculation and experiment is more than 95%. In the metabolic course of methyl PAH, which one is the so-called "ultimate carcinogen", the bay-reglon carbonium ion situated on the angular ring or methylene carbonium ion produced from the methyl group, is still in dispute at present. Now, the afore-mentioned disputable viewpoints have been successfully integrated by the di-region theory. 相似文献
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甲基、烷基、环戊并及环己并多环芳烃以及胆蒽系的定量结构致癌活性关系 总被引:3,自引:0,他引:3
本文运用双区理论首次合理而系统地建立了187个甲基、烷基、环戊并、环己并多环芳烃以及胆葸系的定量结构致癌活性关系,计算与实验的符合率达95%以上。甲基多环芳烃的代谢过程中,角环湾区阳离子及亚甲基阳离子孰是“终致癌剂”的问题,目前存在着争论。根据双区理论统一了上述事实。 相似文献
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