同谱问题与环境保护  

The Isospectral Problem and Environment Protection

作　　者：尚世智[1] 李云[1] 周世贤[1] 

机构地区：[1]沈阳化工学院精细化工系

出　　处：《环境保护科学》1999年第2期8-10,29,共4页Environmental Protection Science

基　　金：辽宁省科委自然科学基金;沈阳市科委基金

摘　　要：将同谱理论应用于１－甲菲致癌物质的研究．并通过量子化学中的ＨＭＯ法与ＰＰＰ法的计算，研究了１－甲菲具有致癌性的原因．提出通过分子设计可以将有致癌活性的１－甲菲转变成没有致癌活性的３－甲菲．从而消除石油加工，制造中所产生的含量较大的甲基取代菲，达到净化环境的目的．The theory of isospectral is applied to study carcinogenic 1-methyl phenanthrene.Through calculating with HMO and PPP of quantum chemistry,the carcinogenic activity is studied for the 1-methyl phenathrene.It is possible the carcinogenic 1-methyl is changed to the non-carcingenic 3-methyl phenathrene through moleculer design.More 1-methyl Phenanthrene is eliminated in making and producing oil so that cleaned environment is obtained.

关 键 词：同谱 甲菲 致癌活性 多环芳烃 量子化学 

分 类 号：TQ241.5[化学工程—有机化工] R730.1[医药卫生—肿瘤]