化学物質の生物濃縮機構とその構造活性相関

概要

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In this paper, the following items relevant to bioconcentration of organic chemicals in fish were reviewed and discussed : 1) mechanism, 2) structure-activity relationship (SAR) and 3) a new theoretical approach to describe bioconcentration potential of a variety of organic chemicals in fish. It was clarified that : 1) bioconcentration phenomenon could be understood from a thermodynamic viewpoint, 2) however, no theoretical SAR approach based on the mechanism could be found so far, except 3) a new theoretical method, which was developed from the consideration on quantum-chemical polar and non-polar interactions of a compound with a fish tissue and water by using Fujita's Σi and Σo. In the new method, there were observed fairly good correlations of logarithm of bioconcentration factors (logBCF) to Σi and Σo (e.g. r^2=0.962,n=21). Applicability and limitation of the method were also discussed and verified using a variety of organic chemicals.
公益社団法人日本薬学会の論文
1993-12-31