Title of article :
Correlation of the toxicity of organic compounds to tadpoles
using the Abraham model
Author/Authors :
Kaci R. Bowen a، نويسنده , , Kelly B. Flanagan a، نويسنده , , William E. Acree Jr، نويسنده , , ?، نويسنده , , Michael H. Abraham، نويسنده , , Clara Rafols c، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2006
Abstract :
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
theAbraham 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.
Keywords :
Polar narcosis , Toxicities , nonpolar narcosis , Solvation parameter model , Tadpoles , Mathematical correlation
Journal title :
Science of the Total Environment
Journal title :
Science of the Total Environment