Yolk–Water Partitioning of Neutral Organic Compounds in the Model Organism Danio rerio
2020
Ulrich, Nadin | Schweiger, Nicole | Pfennigsdorff, Andrea | Scholz, Stefan | Goss, Kai‐Uwe
Yolk is the most important temporary biological compartment of the early life stages of fish embryos. The sorption strength of a chemical to yolk components may significantly influence the distribution of that chemical in the fish embryo. We determined yolk–water partition coefficients (Kyₒₗₖ/wₐₜₑᵣ, in liters of water per kilogram of yolk, normalized to dry wt) for 70 neutral organic chemicals. The log Kyₒₗₖ/wₐₜₑᵣ values range from 0.76 to 6.56. On the basis of these values, we developed polyparameter linear free energy relationship models to predict yolk–water partitioning for a broad range of neutral organic chemicals with a root mean squared error of 0.37 and r² of 0.919. These models can be applied for the prediction of internal concentrations at equilibrium (neglecting biotransformation and active transport) in the zebrafish embryo test system. Environ Toxicol Chem 2020;39:1506–1516. © 2020 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
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