New perspectives on the calculation of bioaccumulation metrics for active substances in living organisms
Aude Ratier, Christelle Lopes, Gauthier Multari, Vanessa Mazerolles, Patrice Carpentier, Sandrine Charles
Abstract
Abstract Today, only few ready-to-use and convenient decision-making tools are available in ecotoxicology concerning accumulation and effects of chemical substances on organisms, accounting for exposure situations that are known to be complex (routes of exposure, metabolism, mixtures, etc.). This paper presents new perspectives on the generic calculation of bioaccumulation metrics via the innovative web tool MOSAICbioacc (http://mosaic.univ-lyon1.fr/bioacc). MOSAICbioacc provides all kinds of bioaccumulation metrics associated with their uncertainty whatever the species-compound combination. MOSAICbioacc expects accumulation-depuration data as inputs, even with complex exposure and clearance patterns, to quickly perform their relevant analysis. MOSAICbioacc intends to facilitate the daily work of regulators, or any ecotoxicologist, who will freely benefit from a user-friendly online interface that automatically fits toxicokinetic models without need for users to invest in the technical aspects to get bioaccumulation metrics estimates. MOSAICbioacc also provides all results in a fully transparent way to ensure reproducibility. Integr Environ Assess Manag 2022;18:10–18. © 2021 SETAC KEY POINTS MOSAICbioacc is a new statistical online service, freely available from https://mosaic.univ-lyon1.fr/bioacc, user-friendly and ready-to-use in support of bioaccumulation metrics (BCF/BSAF/BMF) calculation based on toxicokinetic models under a Bayesian framework, facilitating the daily work of regulators. MOSAICbioacc automatically provides bioaccumulation metrics associated with their uncertainty quantified via a probability distribution and summarized with a median and 2.5 and 97.5 centiles corresponding to a 95% credible interval. MOSAICbioacc provides several outputs to help the user evaluate the relevance of the calculations, a fitting plot, and a collection of goodness-of-fit criteria: Posterior predictive check, prior-posterior comparison, parameter correlation matrix, and convergence criteria. MOSAICbioacc provides bioaccumulation metrics from accumulation-depuration data whatever the species and compound under consideration, accounting for several routes of exposure via different media and several elimination processes (potential metabolites and growth dilution).