取代苯胺、苯酚对鲤鱼毒性的定量构效关系

QSAR of the toxicity of substituted anilines and phenols to carp

测定了 1 6种取代苯胺、苯酚化合物对鲤鱼 96h的急性毒性 ,观察了中毒症状 .根据受体学说 ,进行定量构效关系 (QSAR)研究 ,建立了QSAR方程 .结果表明 ,分配过程及有机物分子与细胞内分子间的电子相互作用是影响这两类化合物生物毒性的主要因素 .

The 96h-LC 50 values of 16 substituted anilines and phenols to carp have been determined. The toxic symptom was observed. According to the acceptor theory, the quantitative structure-activity relationship was studied and the QSAR equation was established. The result showed that the main effects on biological toxicity of anilines and phenols are the partition processes and the interaction of electrons between the molecules of organic chemicals and the molecules in cell.