有机化学品生物富集性-构效关系研究进展

近年来,越来越多的有机化学品被排放到环境中,这些有机化学品被动植物摄取并富集,严重危害人类健康。有机化学品在生物体内的富集趋势可以用生物富集因子(BCF)表示,它是评价化学品环境行为的重要参数。通过定量-活性关系(QSAR)预测BCF值,可解决传统实验测定BCF值耗时长、成本高等问题。文章主要综述了近几年来国内外在这领域的研究进展,对现有的有机化合物的结构与生物富集因子定量关系模型进行系统的总结、评价,分析了模型研究中存在的具体问题,并提出了进一步改进的几点建议,展望了其在环境保护规划、预警及评估等方面的应用前景。

Study of Quantitative Structure-Activity Relationship Models for Bioconcentration Factors of Organic Pollutants

In recent years,more and more organic pollutants are emitted to the environment.Some organic pollutants are absorbed and concentrated in animals and plants which seriously endanger human health.The tendency of a substance to bioconcentrate in aquatic organisms is usually expressed as its bioconcentration factor(BCF).BCF is commonly used to assess the hazard and risk of new and existing substance.Experimental determination of the BCF is generally expensive and technically demanding to perform.In order to solve the problem,the model of Quantitative Structure Activity Relationships(QSAR) came in to applications,which helps the prediction of bioconcentration factor of the organic compounds.This paper made summarized the progress of researches and orientation of development in QSAR area in recent years,and evaluated a series of QSAR models.And it also described some problems and difficulties in the study of this model,and gave some advices at the same time.