Models for estimating the non-specific aquatic toxicity of organic compounds

A. D. Gunatilleka, C. Poole
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引用次数: 53

Abstract

The solvation parameter model is used to construct models for estimating the non-specific aquatic toxicity of organic compounds to the fathead minnow, guppy, golden orfe, water flea and the prokaryote Vibrio fischeri. Size is the characteristic solute property promoting toxicity and solute hydrogen-bond basicity in reducing it. Interspecies differences in toxicity result from differences in the above properties and also because of significant differences in the hydrogen-bond basicity and dipolarity/polarizability of biomembranes. In general, the octanol–water or dimyristoylphosphatidylcholine–water distribution systems are not good surrogate models for the aquatic toxicity for any of the species studied. The retention factor in correlation models for selected chromatographic systems is a suitable descriptor for estimating non-specific aquatic toxicity of organic compounds for some species, such as the tadpole and guppy.
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评估有机化合物非特异性水生毒性的模型
采用溶剂化参数模型建立了有机化合物对鳙鱼、孔雀鱼、金口鱼、水蚤和原核生物费氏弧菌的非特异性水生毒性评价模型。粒径是促进毒性的溶质特性,是降低毒性的溶质氢键碱性。由于生物膜的氢键碱度和双极性/极化性的显著差异,物种间的毒性差异不仅是由于上述性质的差异,而且也是由于生物膜的氢键碱度和双极性/极化性的显著差异。总的来说,辛醇-水或二肉豆烯酰基磷脂酰胆碱-水分布系统不能很好地替代所研究物种的水生毒性模型。相关模型中的保留因子是估算某些物种(如蝌蚪和孔雀鱼)有机化合物非特异性水生毒性的合适描述符。
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