氯代芳香化合物生物降解性能与其化学结构的相关性

Quantitative Structure Biodegradability for Chlorinated Aromatic Compounds

应用结构－活性定量关系（ＱＳＡＲ）研究方法，对氯代芳香化合物的好氧生物降解性能与其化学结构间的关系（ＱＳＢＲ）进行了研究，并建立了受试物的好氧生物降解速率常数与４个高阶分子连接性指数及取代基电子效应常数为结构参数的定量关系．分析表明，有机物取代基的电性参数和空间构型是影响受试物好氧生物降解性能的２个重要因素．

The quantitative and qualitative analysis were conducted on relationship between aerobic biodegradability and chemical structure of chlorinated aromatic compounds by applying quantitative structure activity(QSAR),and the quantitative relationship equation between aerobic biodegradability and parameters including four multi level molecule connectivity index and one substitute group electron effect constant was also established.The result shows that:electronic factor and steric factor of substituents are two important parameters affecting aerobic biodegradability of the tested compounds.