Assessing the fate of new and existing chemicals: A five‐stage process

Mackay, Donald; Guardo, Antonio Di; Paterson, Sally; Kicsi, Gabriel; Cowan, Christina E.

doi:10.1002/etc.5620150928

Cited by 114 publications

(50 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As the target chemicals investigated in this study are considered to be environmentally nonvolatile, the transfer process in the air compartment is negligible. 47 Thus, each basin was divided into three bulk compartments and seven subcompartments: water (water, suspended solids, and fish), soil (water and solids), and sediment (water and solids). In the Level III fugacity model, the mass balance equations among the three bulk compartments were established in terms of the transfer fluxes, which describe chemicals movement between phases by diffusive and nondiffusive processes, and emission, advection, and reaction processes in a phase.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

Emission Estimation and Multimedia Fate Modeling of Seven Steroids at the River Basin Scale in China

Zhang

Zhao

Ying

et al. 2014

Environ. Sci. Technol.

106

View full text Add to dashboard Cite

Steroids are excreted from humans and animals and discharged with wastewaters into the environment, resulting in potential adverse effects on organisms. Based on the excretion rates from different groups of humans and animals, the emissions of seven steroids (estrone (E1), 17β-estradiol (E2), estriol (E3), testosterone (T), androsterone (A), progesterone (P), and cortisol (C)) were comprehensively estimated in 58 river basins of whole China, and their multimedia fate was simulated by using a level III fugacity multimedia model. The results showed that higher emission densities for the steroids were found in the river basins of east China than in west China. This distribution was found to be generally similar to the distribution of Gross Domestic Product (GDP) across China. E3, A, and P displayed higher emission densities than the other steroids in most of the river basins. The total excretion of steroids by humans and animals in China was estimated to be 3069 t/yr. The excretion of steroids from animals was two times larger than that from humans. After various treatments, the total emission of steroids was reduced to 2486 t/yr, of which more than 80% was discharged into the water compartment. The predicted concentrations in water were within an order of magnitude of the measured concentrations available in the literature. Owing to wastewater irrigation, more steroid mass loadings in agricultural soil were found in the basins of Haihe River and Huaihe River in comparison with the other river basins. To the best of our knowledge, this is the first report on the emissions and multimedia fate of seven steroids in the river basins of China.

show abstract

Section: ■ Materials and Methodsmentioning

confidence: 99%

Emission Estimation and Multimedia Fate Modeling of Seven Steroids at the River Basin Scale in China

Zhang

Zhao

Ying

et al. 2014

Environ. Sci. Technol.

106

View full text Add to dashboard Cite

show abstract

“…mol) was temperature corrected from those of 25 8C based on the Clausius-Clapeyron equation . Enthalpies of vapourization and solution were assumed to be 50,000 and 10,000 J/mol, respectively, as suggested in the ChemCAN model (Mackay et al, 1996). A mean water temperature of À1 8C was assumed for the time of investigation, based on measurements during the cruise (Hop and Falk-Petersen, 2003).…”

Section: Mechanistic Mass-balance Food Web Modelmentioning

confidence: 99%

Comparing measured and predicted PCB concentrations in Arctic seawater and marine biota

Borgå

Guardo

2005

Science of The Total Environment

Self Cite

View full text Add to dashboard Cite

When a mechanistic food web model was parameterized for the Arctic marine ecosystem, it predicted PCB concentrations in zooplankton and fish that were two orders of magnitude lower than measured. PCB concentrations measured in zooplankton and fish were within the laboratory's accredited quality assured criteria, and were comparable to other Arctic regions. Although on a different scale, the predicted and measured PCB concentrations were highly correlated. As sensitivity analyses indicated water concentrations as the most sensitive parameter for the model output, dissolved water concentrations were predicted using measured zooplankton and air PCB concentrations, and empirical and mechanistic models. The food web model and the empirical relationship between bioaccumulation factor and octanol-water partitioning coefficient predicted mean dissolved water concentrations of 28 and 29 pg/L P PCB 6 (PCB-28, -52, -105, -118, -138, -153), respectively. Mean dissolved water concentration predicted from measured air concentrations in 1996 was 7.6 pg/L P PCB 5 (PCB-28 was not analysed). Mean dissolved water concentration measured in Barents Sea water sampled simultaneously as the biota in 1999 was 0.3 pg/L P PCB 6 . The dissolved water concentrations predicted from zooplankton PCB concentrations were comparable to water concentrations measured in 1996, whereas the dissolved water concentrations measured in 1999 were comparable to measurements from 2001. If the present high empirically derived bioaccumulation factors (log BAF 7.3-9.0) were realistic, this suggests that bioaccumulation in Arctic zooplankton is more efficient that previously assumed. The present study illustrates and discusses some of the difficulties encountered when different approaches to study environmental distribution of contaminants are compared. D

show abstract

“…The nonequilibrium, nonsteady-state model (level IV) [14] used in the present study included four environmental compartments: air, water, soil, and sediment. The BFR mass balance equation for each compartment is shown in Supplemental Data, S1.1 and Figure S1.…”

Section: Fugacity-based Multimedia and Bioaccumulation Modelsmentioning

confidence: 99%

A dynamic multimedia environmental and bioaccumulation model for brominated flame retardants in Lake Huron and Lake Erie, USA

Lim

Lastoskie

2011

Enviro Toxic and Chemistry

View full text Add to dashboard Cite

Polybrominated biphenyls (PBBs) and polybrominated diphenyl ethers (PBDEs) may pose a worldwide pollution problem because of their persistence, long-range transport capability, and predisposition to bioaccumulate. The ubiquitous presence of PBBs and PBDEs has heightened interest in determination of their fate. We report results for a fugacity-based dynamic environmental and bioaccumulation model of the fate of hexabromobiphenyl (hexaBB) discharged into the Saginaw Bay region of Lake Huron, USA. We calculated transient fugacity profiles of hexaBB in Lake Huron and Lake Erie water and sediment during the 1970s, 1980s, and 1990s. The hexaBB concentrations in the environmental compartments were used as inputs for a dynamic bioaccumulation model of Lake Huron and Lake Erie aquatic biota. The model results indicate that the sediment compartments of Lakes Huron and Erie serve as reservoirs for the accumulation and slow transfer of hexaBB to the food web constituents of these lakes. We present bioaccumulation factors (BAFs) and compare the predicted hexaBB concentrations in lake trout from the bioaccumulation model with measurements during the period 1980 to 2000. An uncertainty analysis for this model suggests that errors associated with input parameter uncertainty can be reduced by refining estimates of the sediment degradation half-life of hexaBB. The corroborated PBB model has carryover application for modeling the fate of polybrominated diphenyl ether (PBDE) contaminants in the Great Lakes. By fitting model outputs to field measurement data using the transformed least square fit method, we report estimations of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) emission rates into the Lake Huron and Lake Erie watershed areas.

show abstract

Assessing the fate of new and existing chemicals: A five‐stage process

Cited by 114 publications

References 24 publications

Emission Estimation and Multimedia Fate Modeling of Seven Steroids at the River Basin Scale in China

Emission Estimation and Multimedia Fate Modeling of Seven Steroids at the River Basin Scale in China

Comparing measured and predicted PCB concentrations in Arctic seawater and marine biota

A dynamic multimedia environmental and bioaccumulation model for brominated flame retardants in Lake Huron and Lake Erie, USA

Contact Info

Product

Resources

About