One and multi-compartments toxico-kinetic modeling to understand metals’ organotropism and fate in Gammarus fossarum

Gestin, Ophélia; Lacoue-Labarthe, Thomas; Coquery, Marina; Delorme, Nicolas; Garnero, Laura; Dherret, L.; Ciccia, Théo; Geffard, Olivier; Lopes, Christelle

doi:10.1016/j.envint.2021.106625

Cited by 26 publications

(36 citation statements)

References 42 publications

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“…Figure 4 below shows the simulated kinetics within the four organs. Our four curves exactly superimpose to the four median curves given in Figure 3 in [13].…”

Section: Case Studies In Ecotoxicologysupporting

confidence: 60%

“…As illustrated above, our generic modelling framework allows to simulate complex situations involving several compartments whatever their connections in pairs and/or with the exposure media. Let’s now relate what we did in subsection 4.1 - that is simulations of four one-compartment models for each organ of G. fossarum exposed to Cd - with the four-compartment model developed by [13]. Indeed, [13] showed that G. fossarum takes up and eliminates Cd rather quickly, with the intestines and the caeca accumulating and depurating the most compared to the cephalon and the rest of the tissues.…”

Section: Case Studies In Ecotoxicologymentioning

confidence: 94%

“…4 Case studies in ecotoxicology This section presents three case studies with different numbers of compartments, both case studies concerning the species Gammarus fossarum exposed to cadmium (Cd) as studied in [13], the third one concerning the species Danio rerio exposed to Arsenic (As). [13] used both several onecompartment TK models compared with one four-compartment TK model, to gain knowledge on the accumulation and fate dynamic of Cd in and between gammarids' organs. Subsections 4.1 and 4.2 give the generic solutions of parameter estimates.…”

Section: Generic Modelling Of Bioaccumulationmentioning

confidence: 99%

“…General schema of the multi-compartment toxicokinetic model used by [13] at the initial modelling stage when all compartments were connected to each other.…”

Section: Case Studies In Ecotoxicologymentioning

confidence: 99%

“…Each compartment has its own parameter pair for uptake (k and elimination (k e,i ) rates (Table 2). In [13], model parameters were estimated under the unified Bayesian framework proposed by [24].…”

Section: Case Study With One Compartmentmentioning

confidence: 99%

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Generic solving of physiologically-based kinetic models in support of next generation risk assessment due to chemicals

Charles

Gestin

Bruset

et al. 2022

Preprint

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FigureIncrease the confidence in using in vitro and in silico data to aid the chemical risk assessment process is one, if not the most, important challenge currently facing regulatory authorities. A particularly crucial concern is to fully take advantage of scientifically valid physiologically-based kinetic (PBK) models. Nevertheless, risk assessors remain still unwilling in employing PBK models within their daily work. Indeed, PBK models are not often included in current official guidance documents. In addition, most users have limited a limited experience in using modelling in general. So, the complexity of PBK models, together with a lack to evaluation methods of their performances, certainly contributes to their under-use.This paper proposes an innovative and unified modelling framework, in both the writing of PBK equations as matrix ordinary differential equations (ODE), and in its exact solving simply expressed with matrix products. This generic PBK solution allows to consider as many as state-variables as needed to quantify chemical absorption, distribution, metabolism and excretion processes within living organisms when exposed to chemical substances. This generic PBK model makes possible any compartmentalisation of the model to be considered, as well as all appropriate inter-connections between compartments and with the external medium.We first introduce our PBK modelling framework, with all intermediate steps from the matrix ODE until the exact solution. Then we apply this framework to bioaccumulation testing, before illustrating its concrete use through complementary case studies in terms of species, compound and model complexity. Upon our findings, we finally propose to consider this approach to eventually be part of a future revision of the current regulation.

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“…Figure 4 below shows the simulated kinetics within the four organs. Our four curves exactly superimpose to the four median curves given in Figure 3 in [13].…”

Section: Case Studies In Ecotoxicologysupporting

confidence: 60%

Section: Case Studies In Ecotoxicologymentioning

confidence: 94%

Section: Generic Modelling Of Bioaccumulationmentioning

confidence: 99%

“…General schema of the multi-compartment toxicokinetic model used by [13] at the initial modelling stage when all compartments were connected to each other.…”

Section: Case Studies In Ecotoxicologymentioning

confidence: 99%

Section: Case Study With One Compartmentmentioning

confidence: 99%

See 3 more Smart Citations

Generic solving of physiologically-based kinetic models in support of next generation risk assessment due to chemicals

Charles

Gestin

Bruset

et al. 2022

Preprint

Self Cite

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In Silico Methods for Environmental Risk Assessment: Principles, Tiered Approaches, Applications, and Future Perspectives

Astuto

Nicola

Tarazona

et al. 2022

Methods in Molecular Biology

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A critical review of effect modeling for ecological risk assessment of plant protection products

Larras

Charles

Chaumot

et al. 2022

Environ Sci Pollut Res

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A wide diversity of plant protection products (PPP) is used for crop protection leading to the contamination of soil, water, and air, which can hâve ecotoxicological impacts on living organisms. It is inconceivable to study the effects of each compound on each species from each compartment, experimental studies being time consuming and cost prohibitive, and animal testing having to be avoided. Therefore, numerous models are developed to assess PPP ecotoxicological effects. Our objective was to provide an overview of the modelling approaches enabling the assessment of PPP effects (inc.luding biopesticides) on the biota. Six categories of models were inventoried: QSAR, DR and TKTD, population, multi-species, landscape, and mixture models. They were developed for various species (terrestrial and aquatic vertebrates and invertebrates, primary producers, micro-organisms) belonging to diverse environmental compartments, and address different goals (e.g., species sensitivity or PPP bioaccumulation assessment, ecosystem ser vices protection). Among them, mechanistic models are increasingly recognized by EFSA for P P P regulatory risk assessment but, to date, remain not considered in notified guidance documents. The strengths and limits of the reviewed models are discussed together with improvement avenues (multi-generational effects, multiple biotic and abiotic stressors. ..). This review also underlines a lack of model testing by rneans of fleld data and of sensitivity and uncertainty analyses. Accurate and robust modelling of PPP effects and other stressors on living organisms, from their application in the ffeld to their functional consé quences on the ecosystems at different scales of time and space, would help going towards a more sustainable management of the environment. K e y w o r d s: Ecotoxicological m odels, ecological m odels, risk assessm ent, environm ent, ecotoxicity, m ulti-stressors, E u ro p ea n rég u latio n Review of models for ERA of plant protection products

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One and multi-compartments toxico-kinetic modeling to understand metals’ organotropism and fate in Gammarus fossarum

Cited by 26 publications

References 42 publications

Generic solving of physiologically-based kinetic models in support of next generation risk assessment due to chemicals

Generic solving of physiologically-based kinetic models in support of next generation risk assessment due to chemicals

In Silico Methods for Environmental Risk Assessment: Principles, Tiered Approaches, Applications, and Future Perspectives

A critical review of effect modeling for ecological risk assessment of plant protection products

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