Dai Q H, Zheng Q Y, Wang Z Y
Center for Chemistry and Bioengineering of Cancer, Beijing Polytechnic University, PRC.
Sci China B. 1991 May;34(5):547-59.
Di-region theory, the theory for the mechanism of carcinogenesis, has been extended successfully on the quantitative structure-carcinogenic activity relationship (QSCAR) of 63 aromatic amines. A quantitative equation for the QSCAR of aromatic amines has been established by the mechanism conception of the specialized di-functional alkylation between the nitrenium ion of the amino group and the epoxide of the aromatic ring. The agreement between calculation and experiment comes up to 98%. Thus, it can now express the puzzling variation of the carcinogenicity of aromatic amines, as a comprehensible structure-chemical reactivity relationship.
双区域理论，即致癌作用机制理论，已成功扩展至63种芳香胺的定量结构-致癌活性关系（QSCAR）研究。基于氨基的氮鎓离子与芳香环的环氧化物之间特定双功能烷基化的机制概念，建立了芳香胺QSCAR的定量方程。计算结果与实验结果的吻合度高达98%。因此，它现在能够将芳香胺致癌性令人困惑的变化表述为一种易于理解的结构-化学反应性关系。
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