John Wiley & Sons, Ltd.

Development of a list of reference chemicals for evaluating alternative methods to in vivo fish bioaccumulation tests

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The aim to reduce the number of animals in experiments has highlighted the need to develop and validate non‐animal methods as alternatives to bioaccumulation studies using fish. The present study details a novel 3‐tier approach to develop a list of reference compounds to aid this process. The approach was based on: 1) inclusion of relevant chemical classes supported by high‐quality in vivo data for bioconcentration factor (BCF), whole body biotransformation rates (Kmet) and metabolism characterisation for rainbow trout (Oncorhynchus mykiss) and common carp (Cyprinus carpio) (Tier I‐II); and 2) refinement to ensure a broad coverage of hydrophobicity, bioconcentration potential, molecular weight (MW), maximum molecular diameter (Dmax), whole body biotransformation half‐lives (KM (HL)) and metabolic pathways (Tier III). In silico techniques were employed to predict maximal log BCF and molecular and metabolic properties. Of the 157 compounds considered as reference compounds, 144 were supported by high quality BCF, 8 were supported by Kmet data and 5 compounds were supported by in vivo metabolism data. Additional criteria for refinement of the list of reference compounds were suggested to aid practical implementation in experimental efforts. The present list of reference compounds is anticipated to facilitate the development of alternative approaches, enhance understanding of in vivo and in vitro bioaccumulation relationships, and refine in silico BCF and metabolism predictions. Environ Toxicol Chem © 2014 SETAC

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