Publication Details

Category Text Publication
Reference Category Journals
DOI 10.1021/es301921w
Title (Primary) Partitioning of organic chemicals to storage lipids: elucidating the dependence on fatty acid composition and temperature
Author Geisler, A.; Endo, S.; Goss, K.-U.
Source Titel Environmental Science & Technology
Year 2012
Department AUC
Volume 46
Issue 17
Page From 9519
Page To 9524
Language englisch
Abstract

Lipids serve as important compartments in partitioning of neutral organic chemicals into organisms. Storage lipids, made up of triglycerides with various fatty acids, are among the major classes of lipids. Here, we present experimental equilibrium partition data for diverse chemicals in fish oil, linseed oil, and goose fat at 37 °C. These data, in combination with data from the literature for olive oil and milk fat, show that the fatty acid composition of triglycerides has no significant influence on the partition coefficient. This result allows the derivation of a general predictive model for partitioning into storage lipids. We have collected storage lipid/water partition coefficients for 247 compounds to calibrate polyparameter linear free energy relationships (pp-LFERs) for 37 °C, which achieved a model fit with a root mean squared error of 0.20 log units. To extend the applicability of this model toward the aquatic food chain, we also measured fish oil partition data at 7 °C. The resulting enthalpies were used to calibrate an additional pp-LFER for the temperature dependence of storage lipid/water partitioning. This model allows us to estimate partition coefficients at desired temperatures that occur under typical ambient conditions.

Persistent UFZ Identifier https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=12790
Geisler, A., Endo, S., Goss, K.-U. (2012):
Partitioning of organic chemicals to storage lipids: elucidating the dependence on fatty acid composition and temperature
Environ. Sci. Technol. 46 (17), 9519 - 9524 10.1021/es301921w