New perspectives on the calculation of bioaccumulation metrics for active substances in living organisms

Ratier, Aude; Lopes, Christelle; Multari, Gauthier; Mazerolles, Vanessa; Carpentier, Patrice; Charles, Sandrine

doi:10.1002/ieam.4439

Cited by 14 publications

(10 citation statements)

References 16 publications

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“…The present section showcases the last update of the MOSAIC bioacc project since the last papers (Ratier et al 2021;Charles et al 2021). The MOSAIC bioacc application shifted from an all embarked web application to being a user interface of a newly developed R package: rbioacc, that allows all users to bring MOSAIC bioacc and its self-explanatory functions to their own device for an easy integration of its method to every workflow.…”

Section: Last Updatesmentioning

confidence: 93%

“…Those steps are described in details in the Tutorial available at https://doi.org/10.5281/zenodo.5092316, including the description on how to use all rbioacc features. More information on the model and inference process used in this package are given in a document called "User Guide" available at http://lbbe-shiny.univ-lyon1.fr/mosaic-bioacc/data/user_guide.pdf and in the paper of the web interface (Ratier et al 2021). Please refer to this documentation for further introduction to the use of the rbioacc package.…”

Section: Main Featuresmentioning

confidence: 99%

“…In 2020, the MOSAIC bioacc application (Ratier et al 2021) has been designed to allow for an easier toxicokinetics modelling of complex situations in the field of ecotoxicology. The MOSAIC bioacc application exploits a one compartment model, meaning that the organism is considered as a whole.…”

Section: Short Presentationmentioning

confidence: 99%

“…Note that package rbioacc benefits from a web interface, MOSAIC bioacc , from which the same analyses can be reproduced directly on-line without needs to invest in R programming. MOSAIC bioacc is freely available on the MOSAIC platform at https://mosaic.univ-lyon1.fr/ (Charles et al 2021) or directly at https://mosaic.univ-lyon1.fr/bioacc (Ratier et al 2021).…”

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confidence: 99%

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‘rbioacc’: an ‘R’-package to analyze toxicokinetic data

Ratier

Baudrot

Kaag

et al. 2021

Preprint

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The R package `rbioacc` is dedicated to the analysis of experimental data collected from bioaccumulation tests. It provides ready-to-use functions to visualise a data set and to estimate bioaccumulation metrics to be further used in support of environmental risk assessment, in full compliance with regulatory requirements. Such metrics are classically requested by standardised regulatory guidelines on which national agencies base their evaluation of applications for marketing authorisation of chemical active substances. Package `rbioacc` can be used to get estimates of toxicokinetic (TK) parameters (uptake and elimination rates) and bioaccumulation metrics (e.g., BCF, BSAF, BMF) by fitting a one compartment TK model on exposure-depuration test data. The bioaccumulation metrics estimates as well as the parameters and the predictions of the internal concentrations are given with the quantification of their uncertainty. This paper illustrates some classical uses of `rbioacc` with internal concentrations collected over time possibly at several exposure concentrations, analysed with a generic TK one-compartment model. These examples can be followed step-by-step to analyse any new data set, as long as the data set format is respected.

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Section: Last Updatesmentioning

confidence: 93%

Section: Main Featuresmentioning

confidence: 99%

Section: Short Presentationmentioning

confidence: 99%

mentioning

confidence: 99%

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‘rbioacc’: an ‘R’-package to analyze toxicokinetic data

Ratier

Baudrot

Kaag

et al. 2021

Preprint

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“…Currently, the above exact mathematical solution of the generic onecompartment TK model is used in support of the development of the R-package rbioacc 20 as well as its web interface MOSAIC bioacc , which is freely available at https://mosaic.univ-lyon1.fr/bioacc. 21 Both tools allow fitting the TK model to bioaccumulation data in a user-friendly way, providing all necessary outputs to check for goodness-of-fit and obtain bioaccumulation metrics, regardless of the considered speciescompound combination. The database associated to the web interface is also available online at http://lbbe-shiny.univ-lyon1.fr/mosaicbioacc/data/database/TK_database.html, with a wide collection of accumulation-depuration data in support of toxicokinetic modelling.…”

Section: Model Simulations Based On Real Case-studiesmentioning

confidence: 99%

Generic Solving of One-compartment Toxicokinetic Models

Charles¹,

Ratier²,

Lopes³

2021

Journal of Exploratory Research in Pharmacology

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This paper gives the full analytical solution of the generic set of ordinary differential equations that define onecompartment toxicokinetic models. These models describe the uptake and elimination processes that occur within living organisms when exposed to chemical substances. The models solved in this paper consider living organisms as a unique compartment, into which a parent compound enters via several possible exposure routes and from which it is eliminated as well as its potential metabolites. Benefiting from generic solutions of onecompartment toxicokinetic models is particularly useful when fitting them to experimental data, facilitating the writing of the inference algorithms leading to parameter estimates. Additionally, these models are of crucial interest in environmental risk assessment for the calculation of bioaccumulation metrics as required by regulators in support of decision-making when they evaluate dossiers for marketing authorisation of active substances.

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