Publication Details

Category Text Publication
Reference Category Journals
DOI 10.1021/acs.est.6b01417
Title (Primary) Partitioning of organic ions to muscle protein: experimental data, modeling, and implications for in vivo distribution of organic ions
Author Henneberger, L.; Goss, K.-U.; Endo, S.
Source Titel Environmental Science & Technology
Year 2016
Department AUC; ZELLTOX
Volume 50
Issue 13
Page From 7029
Page To 7036
Language englisch
UFZ wide themes RU3;
Abstract The in vivo partitioning behavior of ionogenic organic chemicals (IOCs) is of paramount importance for their toxicokinetics and bioaccumulation. Among other proteins, structural proteins including muscle proteins could be an important sorption phase for IOCs, because of their high quantity in the human and other animals’ body and their polar nature. Binding data for IOCs to structural proteins are, however, severely limited. Therefore, in this study muscle protein–water partition coefficients (KMP/w) of 51 systematically selected organic anions and cations were determined experimentally. A comparison of the measured KMP/w with bovine serum albumin (BSA)–water partition coefficients showed that anionic chemicals sorb more strongly to BSA than to muscle protein (by up to 3.5 orders of magnitude), while cations sorb similarly to both proteins. Sorption isotherms of selected IOCs to muscle protein are linear (i.e., KMP/w is concentration independent), and KMP/w is only marginally influenced by pH value and salt concentration. Using the obtained data set of KMP/w a polyparameter linear free energy relationship (PP-LFER) model was established. The derived equation fits the data well (R2 = 0.89, RMSE = 0.29). Finally, it was demonstrated that the in vitro measured KMP/w values of this study have the potential to be used to evaluate tissue-plasma partitioning of IOCs in vivo.
Persistent UFZ Identifier https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=17705
Henneberger, L., Goss, K.-U., Endo, S. (2016):
Partitioning of organic ions to muscle protein: experimental data, modeling, and implications for in vivo distribution of organic ions
Environ. Sci. Technol. 50 (13), 7029 - 7036 10.1021/acs.est.6b01417