Details zur Publikation

Referenztyp Zeitschriften
DOI / URL Link
Titel (primär) Partitioning of polar and non-polar neutral organic chemicals into human and cow milk
Autor Geisler, A.; Endo, S.; Goss, K.-U.;
Journal / Serie Environment International
Erscheinungsjahr 2011
Department AUC;
Band/Volume 37
Heft 7
Sprache englisch;
Keywords Milk/water partitioning; Physiologically based pharmacokinetic modelling (PBPK); Linear free energy relationships; Bioaccumulation
Abstract

The aim of this work was to develop a predictive model for milk/water partition coefficients of neutral organic compounds. Batch experiments were performed for 119 diverse organic chemicals in human milk and raw and processed cow milk at 37 °C. No differences (< 0.3 log units) in the partition coefficients of these types of milk were observed. The polyparameter linear free energy relationship model fit the calibration data well (SD = 0.22 log units). An experimental validation data set including hormones and hormone active compounds was predicted satisfactorily by the model. An alternative modelling approach based on log Kow revealed a poorer performance. The model presented here provides a significant improvement in predicting enrichment of potentially hazardous chemicals in milk. In combination with physiologically based pharmacokinetic modelling this improvement in the estimation of milk/water partitioning coefficients may allow a better risk assessment for a wide range of neutral organic chemicals.

ID 11292
dauerhafte UFZ-Verlinkung https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=11292
Geisler, A., Endo, S., Goss, K.-U. (2011):
Partitioning of polar and non-polar neutral organic chemicals into human and cow milk
Environ. Int. 37 (7), 1253 - 1258