Simulating synergism or antagonism in binary mixtures with different modeling approaches - A case study focused on the effect of disinfection by-products on algal growth.

This paper aims to test several modeling approaches for predicting toxicity of binary mixtures with potential synergy and antagonism. The approach based on the construction of isoboles was first tested and criticized. In contrast to conventional approaches, and in order to be mathematically consistent with the additivity assumptions, non-linear isoboles have been constructed.

Radionuclide sorption dynamics in the Rhone River: Experimental and modelling approach.

The transfer of radionuclides discharged into rivers by nuclear facilities are conditioned by their solid/liquid fractionation, commonly represented by an equilibrium approach using the distribution coefficient K. This coefficient, largely used in modeling, assumes an instantaneous and completely reversible reaction. However, such assumptions are rarely verified.

Sub-lethal toxicity of five disinfection by-products on microalgae determined by flow cytometry - Lines of evidence for adverse outcome pathways.

Standardised tests are often used to determine the ecotoxicity of chemicals and focus mainly on one or a few generic endpoints (e.g. mortality, growth), but information on the sub-cellular processes leading to these effects remain usually partial or missing.

Cl, a new tool to assess soil carbon dynamics.

Soil organic carbon is one of the largest surface pools of carbon that humans can manage in order to partially mitigate annual anthropogenic CO emissions. A significant element to assess soil sequestration potential is the carbon age, which is evaluated by modelling or experimentally using carbon isotopes. Results, however, are not consistent.

Modelling geochemical and kinetic processes involved in lead (Pb) remobilization during resuspension events of contaminated sediments.

The objective of this paper is to present a model simulating and predicting the exchange kinetics of lead (Pb) between contaminated sediments and water during resuspension events potentially occurring in reservoirs. We developed an innovative model that combines thermodynamic speciation of particulate surfaces (oxides and Particulate Organic Carbon (POC)), thermodynamic Pb speciation in water, and kinetic modelling of exchanges between free Pb and particulate sites (i.e.

"AMORE" Decision Support System for probabilistic Ecological Risk Assessment - Part II: Effect assessment of the case study on cyanide.

Ecotoxicological data are highly important for risk assessment processes and are used for deriving environmental quality criteria, which are enacted for assuring the good quality of waters, soils or sediments and achieving desirable environmental quality objectives. Therefore, it is of significant importance the evaluation of the reliability and relevance of available data for analysing their possible use in the aforementioned processes. In this context, a new methodology which has been developed based on Multi-Criteria Decision Analysis (MCDA) techniques, is being used, demonstrated and tested for analysing the reliability and relevance of ecotoxicological data of cyanide (which are produced through laboratory biotests for individual effects).

"AMORE" Decision Support System for probabilistic Ecological Risk Assessment - Part I: Exposure and risk assessment of the case study on cyanide.

Ecological Risk Assessment of chemicals in fluvial systems is a highly researched topic, but its importance for the environmental protection of our planet is vital. Thus, new developments and improvements to existing methodologies are proposed constantly, for providing more advanced tools and more accurate results to researchers and other interested parties. In the field of probabilistic Ecological Risk Assessment, a new Decision Support System is proposed, developed, tested and evaluated.

Modelling ecological and human exposure to POPs in Venice lagoon - Part II: Quantitative uncertainty and sensitivity analysis in coupled exposure models.

The study is focused on applying uncertainty and sensitivity analysis to support the application and evaluation of large exposure models where a significant number of parameters and complex exposure scenarios might be involved. The recently developed MERLIN-Expo exposure modelling tool was applied to probabilistically assess the ecological and human exposure to PCB 126 and 2,3,7,8-TCDD in the Venice lagoon (Italy). The 'Phytoplankton', 'Aquatic Invertebrate', 'Fish', 'Human intake' and PBPK models available in MERLIN-Expo library were integrated to create a specific food web to dynamically simulate bioaccumulation in various aquatic species and in the human body over individual lifetimes from 1932 until 1998.

Assessing multimedia/multipathway exposures to inorganic arsenic at population and individual level using MERLIN-Expo.

In this study, we report on model simulations performed using the newly developed exposure tool, MERLIN-Expo, in order to assess inorganic arsenic (iAs) exposure to adults resulting from past emissions by non-ferrous smelters in Belgium (Northern Campine area). Exposure scenarios were constructed to estimate external iAs exposure as well as the toxicologically relevant As (tAs, i.e.

Potential for MERLIN-Expo, an advanced tool for higher tier exposure assessment, within the EU chemical legislative frameworks.

MERLIN-Expo merges and integrates advanced exposure assessment methodologies, allowing the building of complex scenarios involving several pollution sources and targets. The assessment of exposure and risks to human health from chemicals is of major concern for policy and ultimately benefits all citizens. The development and operational fusion of the advanced exposure assessment methodologies envisaged in the MERLIN-Expo tool will have a significant impact in the long term on several policies dealing with chemical safety management.

Multimedia & PBPK modelling with MERLIN-Expo versus biomonitoring for assessing Pb exposure of pre-school children in a residential setting.

This paper reports on a case study - conducted within the European FP7 project "4FUN" - focusing on exposure of pre-school children to lead resulting from past emissions by non-ferrous smelters in Belgium (Northern Campine area). Exposure scenarios were constructed and simulated with the MERLIN-Expo tool to estimate external Pb exposure as well as the Pb body burden in children living in the vicinity of the former industrial sites as compared to children living in adjacent areas and a reference area. Simulations were run for several scenarios ranging from very simple to rather complex in order to study the effect of different simulation approaches (e.

A Multi-Criteria Decision Analysis based methodology for quantitatively scoring the reliability and relevance of ecotoxicological data.

Ecotoxicological data are highly important for risk assessment processes and are used for deriving environmental quality criteria, which are enacted for assuring the good quality of waters, soils or sediments and achieving desirable environmental quality objectives. Therefore, it is of significant importance the evaluation of the reliability of available data for analysing their possible use in the aforementioned processes. The thorough analysis of currently available frameworks for the assessment of ecotoxicological data has led to the identification of significant flaws but at the same time various opportunities for improvement.

Identification of sensitive parameters in the modeling of SVOC reemission processes from soil to atmosphere.

Semi-volatile organic compounds (SVOCs) are subject to Long-Range Atmospheric Transport because of transport-deposition-reemission successive processes. Several experimental data available in the literature suggest that soil is a non-negligible contributor of SVOCs to atmosphere. Then coupling soil and atmosphere in integrated coupled models and simulating reemission processes can be essential for estimating atmospheric concentration of several pollutants.

Using an Ecosystem Approach to complement protection schemes based on organism-level endpoints.

Radiation protection goals for ecological resources are focussed on ecological structures and functions at population-, community-, and ecosystem-levels. The current approach to radiation safety for non-human biota relies on organism-level endpoints, and as such is not aligned with the stated overarching protection goals of international agencies. Exposure to stressors can trigger non-linear changes in ecosystem structure and function that cannot be predicted from effects on individual organisms.

Bioavailability of copper in contaminated sediments assessed by a DGT approach and the uptake of copper by the aquatic plant Myriophyllum aquaticum.

The assessment of the potentially harmful effects of metals on biota depends on the speciation and bioavailability of the metals. In the present study, the authors investigated Cu accumulation and toxicity in the aquatic plant Myriophyllum aquaticum after exposure to artificial sediments varying in peat or ferric hydroxide content and spiked with Cu (5-200 mg kg(-1)). Modeling of the kinetic diffusive gradient in thin film (DGT) measurements revealed fast and slow Cu resupply from the solid phase for sediment formulated with and without peat, respectively.

Probabilistic approaches to accounting for data variability in the practical application of bioavailability in predicting aquatic risks from metals.

The biotic ligand model (BLM) theoretically enables the derivation of environmental quality standards that are based on true bioavailable fractions of metals. Several physicochemical variables (especially pH, major cations, dissolved organic carbon, and dissolved metal concentrations) must, however, be assigned to run the BLM, but they are highly variable in time and space in natural systems. This article describes probabilistic approaches for integrating such variability during the derivation of risk indexes.

Speciation and bioavailability of dissolved copper in different freshwaters: comparison of modelling, biological and chemical responses in aquatic mosses and gammarids.

Biological and chemical measurements were performed in mesocosms to investigate the bioavailability of copper, with a greater emphasis on the effects of competing ions and copper speciation. Measurements were achieved in three different natural waters for two aquatic species (Gammarus pulex and Fontinalis antipyretica) along a copper gradient concentration: natural concentration, spiked at 5 and 15 μg L(-1). Aquatic mosses exhibited high enrichment rates that were above the background levels compared to gammarids.

DGT as surrogate of biomonitors for predicting the bioavailability of copper in freshwaters: an ex situ validation study.

The present report is the companion study of our previous study in which we investigated the impact of the dissolved organic matter, water cationic composition and pH on the bioavailability and the bioaccumulation of copper (Cu) in aquatic mosses (Fontinalis antipyretica). The impact had been assessed under laboratory controlled conditions and modelled using a two-compartment model calibrated under a wide range of water compositions (Ferreira et al., 2008, 2009).

Estimating hazardous concentrations by an informative Bayesian approach.

The species sensitivity distribution (SSD) approach is recommended for assessing chemical risk. In practice, however, it can be used only for the few substances for which large-scale ecotoxicological results are available. Indeed, the statistical frequentist approaches used for building SSDs and for deriving hazardous concentrations (HC5) inherently require extensive data to guarantee goodness-of-fit.

Interpreting PCB levels in breast milk using a physiologically based pharmacokinetic model to reconstruct the dynamic exposure of Italian women.

Polychlorinated biphenyls (PCBs) are persistent contaminants suspected to cause adverse health effects in humans. As PCBs levels in food have not been monitored frequently in the past, modeling approaches based on environmental data have been proposed to predict the human dietary intake. In this work, we propose to improve these approaches by taking into account internal levels of PCBs in humans.

Linking fate model in freshwater and PBPK model to assess human internal dosimetry of B(a)P associated with drinking water.

In the present study, we demonstrate an integrated modeling approach for predicting internal tissue concentrations of chemicals by coupling a multimedia environmental model and a generic physiologically based pharmacokinetic (PBPK) model. A case study was designed for a region situated on the Seine river watershed, downstream of the Paris megacity, and for benzo(a)pyrene emitted from industrial zones in the region. In this case study, these two models are linked only by water intake from riverine system for the multimedia model into human body for the PBPK model.

Regression approaches to derive generic and fish group-specific probability density functions of bioconcentration factors for metals.

In the framework of environmental multimedia modeling studies dedicated to environmental and health risk assessments of chemicals, the bioconcentration factor (BCF) is a parameter commonly used, especially for fish. As for neutral lipophilic substances, it is assumed that BCF is independent of exposure levels of the substances. However, for metals some studies found the inverse relationship between BCF values and aquatic exposure concentrations for various aquatic species and metals, and also high variability in BCF data.

Modelling exchange kinetics of copper at the water-aquatic moss (Fontinalis antipyretica) interface: influence of water cationic composition (Ca, Mg, Na and pH).

The present study investigated the effect of water cationic composition (Ca, Mg, Na, pH) on the bioaccumulation and elimination rates of copper by an aquatic moss (Fontinalis antipyretica), under laboratory conditions. For this purpose, mosses were exposed to copper at an environmentally relevant and usually non-toxic concentration (5 microg L(-1)) in natural waters where cationic composition and concentrations were varied. To describe copper bioaccumulation by aquatic mosses, a two-compartment model was the first-order kinetics, was developed and calibrated under a wide range of water cationic composition.