Publication Details

Category Text Publication
Reference Category Journals
DOI 10.1007/s11356-023-25827-7
Licence creative commons licence
Title (Primary) Mechanistic modeling of the bioconcentration of (super)hydrophobic compounds in Hyalella azteca
Author Ebert, A.; Ackermann, J.; Goss, K.-U.
Journal Environmental Science and Pollution Research
Year 2023
Department AUC
Volume 30
Issue 17
Page From 50257
Page To 50268
Language 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.
Persistent UFZ Identifier
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