Correlation of the toxicity of organic compounds to tadpoles using the Abraham model
- 作者：Kaci R. Bowen ; Kelly B. Flanagan ; Jr. ; William E. Acree ; Michael H. Abraham ; Clara Rafols
- 关键词：Tadpoles ; Toxicities ; Polar narcosis ; Nonpolar narcosis ; Mathematical correlation ; Solvation parameter model
- 刊名：Science of the Total Environment
- 出版年：2006
- 期刊代码：63_00489697
- 类别：env
- 出版时间：1 December 2006
- 卷：371
- 期：1-3
- 页码：99-109
- 文件大小：218 K
摘要
The narcotic and lethal concentrations of organic compounds have been compiled for several tadpole species (Rana temporaria, Rana pipiens, Rana japonica, Xenopus laevis and Rana brevipoda porosa). The narcotic and lethal concentrations have been correlated using the Abraham solvation parameter model to yield an equation that can be used to predict the narcotic concentrations of additional nonpolar and polar narcotic compounds to R. temporaria, and a more general correlation that should be applicable to different species of tadpoles. The more general equation is based on 240 experimental data points. A training set of 123 compounds could be fitted with the Abraham solvation parameters with R2 = 0.931 and S.D. = 0.343 log units. The training equation predicted the test set of 122 values with AE = − 0.022 log units, S.D. = 0.300 log units and an average absolute error, AAE, of 0.227 log units. The structural features that are important in narcosis of tadpoles have been examined; it is concluded that hydrogen bond basicity reduces narcotic activity of compounds and that compound size increases narcotic activity. The solvation parameter model enables narcosis of tadpoles to be compared to various other biological processes and to physicochemical processes that might be used as models for narcosis.