Published on the Web 2/26/2009.
Technical basis for polar and nonpolar narcotic chemicals and polycyclic aromatic hydrocarbon criteria. III. A polyparameter model for target lipid partitioning†
Article first published online: 9 DEC 2009
Copyright © 2009 SETAC
Environmental Toxicology and Chemistry
Volume 28, Issue 7, pages 1429–1438, July 2009
How to Cite
Kipka, U. and Di Toro, D. M. (2009), Technical basis for polar and nonpolar narcotic chemicals and polycyclic aromatic hydrocarbon criteria. III. A polyparameter model for target lipid partitioning. Environmental Toxicology and Chemistry, 28: 1429–1438. doi: 10.1897/08-364.1
- Issue published online: 9 DEC 2009
- Article first published online: 9 DEC 2009
- Manuscript Accepted: 5 FEB 2009
- Manuscript Received: 6 AUG 2008
- Target lipid model;
- Equilibrium partitioning;
- Linear free energy relationship
A method is presented for extending the target lipid model (TLM) of narcotic toxicity to polar narcotic chemicals. The proposed polyparameter TLM extends the applicability of the TLM by including polar compounds and removing explicit chemical class corrections. The validity of the model is tested using a data set of 1,687 acute toxicity tests for 42 aquatic species, including fish, amphibians, arthropods, mollusks, polychaetes, coelenterates, protozoans, and algae, and 398 chemicals. The target lipid-water partition coefficient is computed using the Abraham polyparameter model. This replaces use of the octanol-water partition coefficient so that the partitioning of polar narcotic chemicals can be described correctly. The model predicts the log median lethal concentration with a root mean square error of 0.460 for nonpolar and polar chemicals and 0.501 for only polar chemicals.