Details zur Publikation

Kategorie Textpublikation
Referenztyp Zeitschriften
DOI 10.1007/s11356-023-25827-7
Lizenz creative commons licence
Titel (primär) Mechanistic modeling of the bioconcentration of (super)hydrophobic compounds in Hyalella azteca
Autor Ebert, A. ORCID logo ; Ackermann, J.; Goss, K.-U.
Journal / Serie Environmental Science and Pollution Research
Erscheinungsjahr 2023
Department AUC
Band/Volume 30
Heft 17
Seite von 50257
Seite bis 50268
Sprache englisch
Topic T9 Healthy Planet
Keywords Hyalella azteca; Bioconcentration factor; 3R principles; Mechanistic modeling; Superhydrophobic compounds; Facilitated transport; Uptake and depuration rate constants
Abstract Bioconcentration tests using the freshwater amphipod Hyalella azteca as an alternative to conventional fish tests have recently received much attention. An appropriate computational model of H. azteca could help in understanding the mechanisms behind bioconcentration, in comparison to the fish as test organism. We here present the first mechanistic model for H. azteca that considers the single diffusive processes in the gills and gut. The model matches with the experimental data from the literature quite well when appropriate physiological information is used. The implementation of facilitated transport was essential for modeling. Application of the model for superhydrophobic compounds revealed binding to organic matter and the resulting decrease in bioavailable fraction as the main reason for the observed counterintuitive decrease in uptake rate constants with increasing octanol/water partition coefficient. Furthermore, estimations of the time needed to reach steady state indicated that durations of more than a month could be needed for compounds with a log Kow > 8, limiting the experimental applicability of the test. In those cases, model-based bioconcentration predictions could be a preferable approach, which could be combined with in vitro biotransformation measurements. However, our sensitivity analysis showed that the uncertainty in determining the octanol/water partition coefficients is a strong source of error for superhydrophobic compounds.
dauerhafte UFZ-Verlinkung
Ebert, A., Ackermann, J., Goss, K.-U. (2023):
Mechanistic modeling of the bioconcentration of (super)hydrophobic compounds in Hyalella azteca
Environ. Sci. Pollut. Res. 30 (17), 50257 - 50268