拟除虫菊酯类化合物QSRR研究  

Study on quantitative structure-retention relationships for pyrethroid pesticides compounds

作　　者：姚书春[1] 孙成[1] 陈达[1] 董玉瑛[1] 王连生[1] 

机构地区：[1]南京大学环境学院,污染控制与资源化国家重点实验室,江苏南京210093

出　　处：《中国环境科学》2001年第4期309-312,共4页China Environmental Science

基　　金：国家自然科学基金资助项目(29877010)

摘　　要：应用反相高效液相色谱法测定了部分拟除虫菊酯类化合物的容量因子k',并采用量化参数进行了定量结构-色谱保留相关(QSRR)研究,得到的相关方程用逐一抽取法进行检验,表明构建的模型能很好地预测拟除虫菊酯类化合物在正辛醇/水体系中的分配系数.The capacity factors (k prime ) were determined by reverse high-performance liquid chromatography for parts of pyrethroid pesticide compounds. Quantum chemical parameters were used to study the quantitative structure-retention relationships (QSRR); and one-leave-out test was also used to examine the relationships equation. It was shown that the established model could predict very well the 1gKow for pyrethroid pesticide compounds.

关 键 词：量化参数 拟除虫菊酯 模型稳健性 QSRR 定相色谱 农药 生物监测 水质污染 

分 类 号：X132[环境科学与工程—环境科学] X839