Estimating chemical biotransformation rates from food web concentrations

Biotransformation is widely recognized as the most important and most uncertain determinant of bioaccumulation. A step-wise method for estimating organism-specific biotransformation half-lives from field observations and using established food web modeling is developed. As a proof of concept, the method is applied to the case of nine polycyclic aromatic hydrocarbons (PAHs) in a well-studied food web in Bohai Bay, China. The estimated half-lives are in good agreement with the existing literature. The proposed biotransformation estimation method, through data mining, for sufficiently defined ecosystems, may greatly reduce the necessary animal testing involved in chemical assessments by providing useful guidance to experimentalists and regulators.

► Proof of concept for novel biotransformation half-life estimation method is provided.
► Field concentrations and food web model give organism-specific biotransformation.
► Biotransformation estimated for 9 PAHs in food web in Bohai Bay, China.
► Data mining can supplement direct animal testing and existing estimates.