Modeling Exposure to Persistent Chemicals in Hazard and Risk Assessment

EDITOR'S NOTE: This paper represents 1 of 9 papers generated from a SETAC Pellston Workshop entitled “Science-Based Guidance and Framework for the Evaluation and Identification of PBTs and POPs,” (January 2008, Florida, USA). The workshop objectives were to develop guidance and recommendations on the evaluation of substances fulfilling PBT and POP criteria, using scientific information such as experimental and monitoring data, and computer models. Fate and exposure modeling has not, thus far, been explicitly used in the risk profile documents prepared for evaluating the significant adverse effect of candidate chemicals for either the Stockholm Convention or the Convention on Long-Range Transboundary Air Pollution. However, we believe models have considerable potential to improve the risk profiles. Fate and exposure models are already used routinely in other similar regulatory applications to inform decisions, and they have been instrumental in building our current understanding of the fate of persistent organic pollutants (POP) and persistent, bioaccumulative, and toxic (PBT) chemicals in the environment. The goal of this publication is to motivate the use of fate and exposure models in preparing risk profiles in the POP assessment procedure by providing strategies for incorporating and using models. The ways that fate and exposure models can be used to improve and inform the development of risk profiles include 1) benchmarking the ratio of exposure and emissions of candidate chemicals to the same ratio for known POPs, thereby opening the possibility of combining this ratio with the relative emissions and relative toxicity to arrive at a measure of relative risk; 2) directly estimating the exposure of the environment, biota, and humans to provide information to complement measurements or where measurements are not available or are limited; 3) to identify the key processes and chemical or environmental parameters that determine the exposure, thereby allowing the effective prioritization of research or measurements to improve the risk profile; and 4) forecasting future time trends, including how quickly exposure levels in remote areas would respond to reductions in emissions. Currently there is no standardized consensus model for use in the risk profile context. Therefore, to choose the appropriate model the risk profile developer must evaluate how appropriate an existing model is for a specific setting and whether the assumptions and input data are relevant in the context of the application. It is possible to have confidence in the predictions of many of the existing models because of their fundamental physical and chemical, mechanistic underpinnings and the extensive work already done to compare model predictions and empirical observations. The working group recommends that modeling tools be applied for benchmarking PBT and POPs according to exposure–emissions relationships and that modeling tools be used to interpret emissions and monitoring data. The further development of models that combine fate, long-range transport, and bioaccumulation should be fostered, especially models that will allow time trends to be scientifically addressed in the risk profile.

[1]  Frank Wania,et al.  Global chemical fate of α‐hexachlorocyclohexane. 1. Evaluation of a global distribution model , 1999 .

[2]  L S McCarty,et al.  On the validity of classifying chemicals for persistence, bioaccumulation, toxicity, and potential for long‐range transport , 2001, Environmental toxicology and chemistry.

[3]  Jon A Arnot,et al.  A quantitative structure‐activity relationship for predicting metabolic biotransformation rates for organic chemicals in fish , 2009, Environmental toxicology and chemistry.

[4]  Aaron T. Fisk,et al.  Dietary accumulation and quantitative structure‐activity relationships for depuration and biotransformation of short (C10), medium (C14), and long (C18) carbon‐chain polychlorinated alkanes by juvenile rainbow trout (Oncorhynchus mykiss) , 2000 .

[5]  Matthew MacLeod,et al.  Modeling transport and deposition of contaminants to ecosystems of concern: a case study for the Laurentian Great Lakes. , 2004, Environmental pollution.

[6]  Frank Wania,et al.  Potential of degradable organic chemicals for absolute and relative enrichment in the Arctic. , 2006, Environmental science & technology.

[7]  Ian Cousins,et al.  General fugacity‐based model to predict the environmental fate of multiple chemical species , 2003, Environmental toxicology and chemistry.

[8]  Frank Wania,et al.  Evaluating a model of the historical behavior of two hexachlorocyclohexanes in the Baltic Sea environment. , 2002, Environmental science & technology.

[9]  K. Hungerbühler,et al.  The origin and significance of short-term variability of semivolatile contaminants in air. , 2007, Environmental science & technology.

[10]  Michael Matthies,et al.  Application of multimedia models for screening assessment of long-range transport potential and overall persistence. , 2006, Environmental science & technology.

[11]  Frank Wania,et al.  A global distribution model for persistent organic chemicals , 1995 .

[12]  Peter Höglund,et al.  Apparent Half-Lives of Hepta- to Decabrominated Diphenyl Ethers in Human Serum as Determined in Occupationally Exposed Workers , 2005, Environmental health perspectives.

[13]  Thomas E McKone,et al.  Assessing the influence of climate variability on atmospheric concentrations of polychlorinated biphenyls using a global-scale mass balance model (BETR-global). , 2005, Environmental science & technology.

[14]  D. Mackay,et al.  Policies for chemical hazard and risk priority setting: can persistence, bioaccumulation, toxicity, and quantity information be combined? , 2008, Environmental science & technology.

[15]  Dong Won Kim,et al.  Use of the relative concentration to evaluate a multimedia model for PAHs in the absence of emission estimates. , 2004, Environmental science & technology.

[16]  Teruyuki Nakao,et al.  Comparison of polybrominated diphenyl ethers in fish, vegetables, and meats and levels in human milk of nursing women in Japan. , 2002, Chemosphere.

[17]  Ruth E. Alcock,et al.  Polyurethane foam as a source of PBDEs to the environment , 2003 .

[18]  Matthew MacLeod,et al.  A dynamic mass budget for toxaphene in North America , 2002, Environmental toxicology and chemistry.

[19]  Konrad Hungerbühler,et al.  Investigation of the Cold Condensation of Persistent Organic Pollutants with a Global Multimedia Fate Model , 2000 .

[20]  D Mackay,et al.  Evaluation and comparison of multimedia mass balance models of chemical fate: application of EUSES and ChemCAN to 68 chemicals in Japan. , 2001, Chemosphere.

[21]  A.J.H. Visschedijk,et al.  Emissions of persistent organic pollutants and eight candidate POPs from UNECE–Europe in 2000, 2010 and 2020 and the emission reduction resulting from the implementation of the UNECE POP protocol , 2007 .

[22]  Frank Wania,et al.  Assessing the Potential of Persistent Organic Chemicals for Long-Range Transport and Accumulation in Polar Regions , 2003 .

[23]  Michael S McLachlan,et al.  Bioaccumulation potential of persistent organic chemicals in humans. , 2004, Environmental science & technology.

[24]  S. Arrhenius “On the Infl uence of Carbonic Acid in the Air upon the Temperature of the Ground” (1896) , 2017, The Future of Nature.

[25]  Mats Tysklind,et al.  Assessing the environmental fate of chemicals of emerging concern: a case study of the polybrominated diphenyl ethers. , 2002, Environmental pollution.

[26]  W. Shiu,et al.  Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals , 2006 .

[27]  J. Pacyna,et al.  Atmospheric emissions of some POPs in Europe: a discussion of existing inventories and data needs , 2006 .

[28]  Konrad Hungerbühler,et al.  Investigating the global fate of DDT: model evaluation and estimation of future trends. , 2008, Environmental science & technology.

[29]  Frank Wania,et al.  Global chemical fate of α‐hexachlorocyclohexane. 2. Use of a global distribution model for mass balancing, source apportionment, and trend prediction , 1999 .

[30]  Ronald A Hites,et al.  Polybrominated diphenyl ethers in the environment and in people: a meta-analysis of concentrations. , 2004, Environmental science & technology.

[31]  G. M. Richardson,et al.  Is house dust the missing exposure pathway for PBDEs? An analysis of the urban fate and human exposure to PBDEs. , 2005, Environmental science & technology.

[32]  L. Guzzella,et al.  Levels and congener profiles of polybrominated diphenyl ethers (PBDEs) in Zebra mussels (D. polymorpha) from Lake Maggiore (Italy). , 2008, Environmental pollution.

[33]  Jon A Arnot,et al.  Screening level risk assessment model for chemical fate and effects in the environment. , 2006, Environmental science & technology.

[34]  Martin Scheringer,et al.  POP Candidates 2007: Model Results on Overall Persistence and Long-range Transport Potential obtained with the OECD Pov & LRTP Screening Tool , 2007 .

[35]  Janice K Huwe,et al.  Analysis of mono- to deca-brominated diphenyl ethers in chickens at the part per billion level. , 2002, Chemosphere.

[36]  den Hollander Ha,et al.  Validating SimpleBox-Computed Steady-State Concentration Ratios , 2004 .

[37]  Konrad Hungerbühler,et al.  Improving data quality for environmental fate models: a least-squares adjustment procedure for harmonizing physicochemical properties of organic compounds. , 2005, Environmental science & technology.

[38]  Martin Scheringer,et al.  Persistence and Spatial Range as Endpoints of an Exposure-Based Assessment of Organic Chemicals , 1996 .

[39]  Matthew Lorber,et al.  Exposure of Americans to polybrominated diphenyl ethers , 2008, Journal of Exposure Science and Environmental Epidemiology.

[40]  M. B. Beck,et al.  On the problem of model validation for predictive exposure assessments , 1997 .

[41]  Mark A J Huijbregts,et al.  Empirical evaluation of spatial and non-spatial European-scale multimedia fate models: results and implications for chemical risk assessment. , 2007, Journal of environmental monitoring : JEM.

[42]  Jon A Arnot,et al.  A food web bioaccumulation model for organic chemicals in aquatic ecosystems , 2004, Environmental toxicology and chemistry.

[43]  Martin Scheringer,et al.  Analysis of Four Current POP Candidates with the OECD P ov and LRTP Screening Tool , 2007 .

[44]  D Mackay,et al.  The evolution of mass balance models of persistent organic pollutant fate in the environment. , 1999, Environmental pollution.

[45]  Matthew MacLeod,et al.  Evaluating and expressing the propagation of uncertainty in chemical fate and bioaccumulation models , 2002, Environmental toxicology and chemistry.

[46]  Martin Scheringer,et al.  Characterization of the Environmental Distribution Behavior of Organic Chemicals by Means of Persistence and Spatial Range , 1997 .

[47]  Konrad Hungerbühler,et al.  Contribution of volatile precursor substances to the flux of perfluorooctanoate to the Arctic. , 2008, Environmental science & technology.

[48]  M. McLachlan,et al.  A food chain model to predict the levels of lipophilic organic contaminants in humans , 2004, Environmental toxicology and chemistry.

[49]  Michael Matthies,et al.  General Formulation of Characteristic Travel Distance for Semivolatile Organic Chemicals in a Multimedia Environment , 1998 .

[50]  Jay A Davis,et al.  The long‐term fate of polychlorinated biphenyls in San Francisco Bay (USA) , 2004, Environmental toxicology and chemistry.

[51]  J F Brown,et al.  Determination of PCB Metabolic, Excretion, and Accumulation Rates for Use as Indicators of Biological Response and Relative Risk. , 1994, Environmental science & technology.

[52]  D Mackay,et al.  An assessment of the environmental fate and exposure of benzene and the chlorobenzenes in Canada. , 1999, Chemosphere.

[53]  A. Glynn,et al.  Dietary intake estimations of organohalogen contaminants (dioxins, PCB, PBDE and chlorinated pesticides, e.g. DDT) based on Swedish market basket data. , 2006, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

[54]  Thomas E McKone,et al.  Model Selection and Evaluation for Risk Assessment of Dioxin-contaminated Sites , 2007, Ambio.

[55]  Thomas Mumley,et al.  The slow recovery of San Francisco Bay from the legacy of organochlorine pesticides. , 2007, Environmental research.

[56]  김원택,et al.  보강경질 Polyurethane Foam의 압축탄성률 , 1981 .

[57]  Matthew MacLeod,et al.  A Modeling Strategy for Planning the Virtual Elimination of Persistent Toxic Chemicals from the Great Lakes: An Illustration of Four Contaminants in Lake Ontario , 1999 .

[58]  Jon A Arnot,et al.  A database of fish biotransformation rates for organic chemicals , 2008, Environmental toxicology and chemistry.

[59]  Frank Wania,et al.  Polycyclic aromatic hydrocarbons in Costa Rican air and soil: A tropical/temperate comparison , 2007 .

[60]  Todd Gouin,et al.  Time trends of Arctic contamination in relation to emission history and chemical persistence and partitioning properties. , 2007, Environmental science & technology.

[61]  Frank Wania,et al.  Combining long-range transport and bioaccumulation considerations to identify potential Arctic contaminants. , 2008, Environmental science & technology.