title: Modelling the exposure to chemicals for risk assessment: a comprehensive library of multimedia and PBPK models for integration, prediction, uncertainty and sensitivity analysis - the MERLIN-Expo tool.
abstract: MERLIN-Expo is a library of models that was developed in the frame of the FP7 EU project 4FUN in order to provide an integrated assessment tool for state-of-the-art exposure assessment for environment, biota and humans, allowing the detection of scientific uncertainties at each step of the exposure process. This paper describes the main features of the MERLIN-Expo tool. The main challenges in exposure modelling that MERLIN-Expo has tackled are: (i) the integration of multimedia (MM) models simulating the fate of chemicals in environmental media, and of physiologically based pharmacokinetic (PBPK) models simulating the fate of chemicals in human body. MERLIN-Expo thus allows the determination of internal effective chemical concentrations; (ii) the incorporation of a set of functionalities for uncertainty/sensitivity analysis, from screening to variance-based approaches. The availability of such tools for uncertainty and sensitivity analysis aimed to facilitate the incorporation of such issues in future decision making; (iii) the integration of human and wildlife biota targets with common fate modelling in the environment. MERLIN-Expo is composed of a library of fate models dedicated to non biological receptor media (surface waters, soils, outdoor air), biological media of concern for humans (several cultivated crops, mammals, milk, fish), as well as wildlife biota (primary producers in rivers, invertebrates, fish) and humans. These models can be linked together to create flexible scenarios relevant for both human and wildlife biota exposure. Standardized documentation for each model and training material were prepared to support an accurate use of the tool by end-users. One of the objectives of the 4FUN project was also to increase the confidence in the applicability of the MERLIN-Expo tool through targeted realistic case studies. In particular, we aimed at demonstrating the feasibility of building complex realistic exposure scenarios and the accuracy of the modelling predictions through a comparison with actual measurements.
authors.affiliation: Electricité de France (EDF) R&D, National Hydraulic and Environment Laboratory, 6 quai Watier, 78400 Chatou, France.
authors.forename: P
authors.initials: P
authors.lastname: Ciffroy
authors.affiliation: Facilia AB, Gustavslundsvägen 151C, 167 51 Bromma, Sweden.
authors.forename: B
authors.initials: B
authors.lastname: Alfonso
authors.affiliation: Austrian Standards Institute, Heinestr. 38, 1060 Vienna, Austria.
authors.forename: A
authors.initials: A
authors.lastname: Altenpohl
authors.affiliation: Agencia Estatal Consejo Superior de Investigaciones Científicas CSIC, Barcelona, Spain.
authors.forename: Z
authors.initials: Z
authors.lastname: Banjac
authors.affiliation: EUrelations AG, Technoparkstr. 1, 8005 Zurich, Switzerland.
authors.forename: J
authors.initials: J
authors.lastname: Bierkens
authors.affiliation: Flemish Institute for Technological Research (VITO), Human and Environmental Exposure and Risk Assessment, VITO - Health, Mol, Belgium.
authors.forename: C
authors.initials: C
authors.lastname: Brochot
authors.affiliation: Institut National de l'Environnement Industriel et des Risques (INERIS), Unité Modèles pour l'Ecotoxicologie et la Toxicologie (METO), Parc ALATA BP2, 60550 Verneuil en Halatte, France.
authors.forename: A
authors.initials: A
authors.lastname: Critto
authors.affiliation: University Ca' Foscari Venice, Department of Environmental Sciences, Informatics and Statistics, Via Torino 155, 30172 Mestre-Venezia, Italy.
authors.forename: T
authors.initials: T
authors.lastname: De Wilde
authors.affiliation: Arche cvba, Liefkensstraat 35d, 9032 Gent (Wondelgem), Belgium.
authors.forename: G
authors.initials: G
authors.lastname: Fait
authors.affiliation: EUrelations AG, Technoparkstr. 1, 8005 Zurich, Switzerland.
authors.forename: T
authors.initials: T
authors.lastname: Fierens
authors.affiliation: AIEFORIA srl, via Gramsci 22, 43036 Fidenza (PR), Italy.
authors.forename: J
authors.initials: J
authors.lastname: Garratt
authors.affiliation: Institut National de l'Environnement Industriel et des Risques (INERIS), Unité Modèles pour l'Ecotoxicologie et la Toxicologie (METO), Parc ALATA BP2, 60550 Verneuil en Halatte, France.
authors.forename: E
authors.initials: E
authors.lastname: Giubilato
authors.affiliation: AIEFORIA srl, via Gramsci 22, 43036 Fidenza (PR), Italy.
authors.forename: E
authors.initials: E
authors.lastname: Grange
authors.affiliation: Facilia AB, Gustavslundsvägen 151C, 167 51 Bromma, Sweden.
authors.forename: E
authors.initials: E
authors.lastname: Johansson
authors.affiliation: Institut National de l'Environnement Industriel et des Risques (INERIS), Unité Modèles pour l'Ecotoxicologie et la Toxicologie (METO), Parc ALATA BP2, 60550 Verneuil en Halatte, France.
authors.forename: A
authors.initials: A
authors.lastname: Radomyski
authors.affiliation: Enviresearch Ltd., Herschel Building/Nanotechnology Centre, Newcastle University, Newcastle upon Tyne NE1 7RU, UK.
authors.forename: K
authors.initials: K
authors.lastname: Reschwann
authors.affiliation: Istituto di Chimica Agraria ed Ambientale, Università Cattolica del Sacro Cuore, via Emilia Parmense 84, 29122, Piacenza, Italy.
authors.forename: N
authors.initials: N
authors.lastname: Suciu
authors.affiliation: Electricité de France (EDF) R&D, National Hydraulic and Environment Laboratory, 6 quai Watier, 78400 Chatou, France.
authors.forename: T
authors.initials: T
authors.lastname: Tanaka
authors.affiliation: Arche cvba, Liefkensstraat 35d, 9032 Gent (Wondelgem), Belgium.
authors.forename: A
authors.initials: A
authors.lastname: Tediosi
authors.affiliation: EUrelations AG, Technoparkstr. 1, 8005 Zurich, Switzerland.
authors.forename: M
authors.initials: M
authors.lastname: Van Holderbeke
authors.affiliation: University Ca' Foscari Venice, Department of Environmental Sciences, Informatics and Statistics, Via Torino 155, 30172 Mestre-Venezia, Italy.
authors.forename: F
authors.initials: F
authors.lastname: Verdonck
mesh_terms: D000818:Animals; D058448:Biota / Q000502:physiology; D018556:Crops, Agricultural / Q000737:chemistry; D004781:Environmental Exposure / Q000032:analysis* / Q000706:statistics & numerical data; D004785:Environmental Pollutants / Q000032:analysis* / Q000493:pharmacokinetics*; D005060:Europe; D005618:Fresh Water / Q000737:chemistry; D006801:Humans; D008892:Milk / Q000737:chemistry; D008954:Models, Biological; D019212:Multimedia; D009930:Organic Chemicals / Q000032:analysis* / Q000493:pharmacokinetics*; D011237:Predictive Value of Tests; D018570:Risk Assessment; D035501:Uncertainty
chemical_list: D004785:Environmental Pollutants; D009930:Organic Chemicals
keywords: Exposure; MERLIN-Expo; Multimedia modelling; PBPK; Uncertainty