Models for estimating the non-specific toxicity of organic compounds in short-term bioassays.
Models for estimating the non-specific toxicity of organic compounds in short-term bioassays.
复制标题
用于估计短期生物测定中有机化合物的非特异性毒性的模型。
DOI：
--
复制
发表时间：
2000
期刊：
影响因子：
--
通讯作者：
C. Poole
中科院分区：
文献类型：
--
作者：
A. D. Gunatilleka;C. Poole
利用溶剂化参数模型建立了中性有机化合物对5种短期毒性试验用生物的非特异性毒性估计方程。对于费氏弧菌（Microtox试验）和恶臭假单胞菌、原生动物梨形四膜虫（Tetratox试验）、绿藻Scendesmus quadricauda和卤虾Artemia salina，导致非特异性毒性增加的主要因素是大小（主要）和孤对电子相互作用，其中氢键碱度是降低毒性的最重要的溶质性质。相对非特异性毒性的物种差异在很大程度上与生物膜内聚力和氢键酸度的差异有关。提出了非特异性毒性模型，作为确定基线毒性的辛醇-水分布常数的替代方法。辛醇-水分布常数不能定量地模拟非特异性毒性，因为它不能充分表征生物膜对不同性质化合物的吸附特性。
The solvation parameter model is used to construct equations for the estimation of the non-specific toxicity of neutral organic compounds to five organisms used for short-term toxicity testing. For the bacteria Vibrio fischeri (Microtox test) and Pseudomonas putida, the protozoan Tetrahymena pyriformis (Tetratox test), the green alga Scendesmus quadricauda and the brine shrimp Artemia salina, the main factors resulting in increased non-specific toxicity are size (dominantly) and lone-pair electron interactions, with hydrogen-bond basicity the most important solute property reducing toxicity. Species differences in relative non-specific toxicity are largely related to differences in cohesion and hydrogen-bond acidity of the biomembranes. The models for non-specific toxicity are proposed as an alternative to the octanol-water distribution constant for the determination of baseline toxicity. Failure of the octanol-water distribution constant to model non-specific toxicity is quantitatively explained by its inability to adequately characterize the sorption properties of the biomembranes for compounds with varied properties.