An object-oriented software for fate and exposure assessments.

PubMed

Scheil, S; Baumgarten, G; Reiter, B; Schwartz, S; Wagner, J O; Trapp, S; Matthies, M

1995-07-01

The model system CemoS(1) (Chemical Exposure Model System) was developed for the exposure prediction of hazardous chemicals released to the environment. Eight different models were implemented involving chemicals fate simulation in air, water, soil and plants after continuous or single emissions from point and diffuse sources. Scenario studies are supported by a substance and an environmental data base. All input data are checked on their plausibility. Substance and environmental process estimation functions facilitate generic model calculations. CemoS is implemented in a modular structure using object-oriented programming.

Evaluating the environmental fate of short-chain chlorinated paraffins (SCCPs) in the Nordic environment using a dynamic multimedia model.

PubMed

Krogseth, Ingjerd S; Breivik, Knut; Arnot, Jon A; Wania, Frank; Borgen, Anders R; Schlabach, Martin

2013-12-01

Short chain chlorinated paraffins (SCCPs) raise concerns due to their potential for persistence, bioaccumulation, long-range transport and adverse effects. An understanding of their environmental fate remains limited, partly due to the complexity of the mixture. The purpose of this study was to evaluate whether a mechanistic, integrated, dynamic environmental fate and bioaccumulation multimedia model (CoZMoMAN) can reconcile what is known about environmental emissions and human exposure of SCCPs in the Nordic environment. Realistic SCCP emission scenarios, resolved by formula group, were estimated and used to predict the composition and concentrations of SCCPs in the environment and the human food chain. Emissions at the upper end of the estimated range resulted in predicted total concentrations that were often within a factor of 6 of observations. Similar model performance for a complex group of organic contaminants as for the well-known polychlorinated biphenyls strengthens the confidence in the CoZMoMAN model and implies a relatively good mechanistic understanding of the environmental fate of SCCPs. However, the degree of chlorination predicted for SCCPs in sediments, fish, and humans was higher than observed and poorly established environmental half-lives and biotransformation rate constants contributed to the uncertainties in the predicted composition and ∑SCCP concentrations. Improving prediction of the SCCP composition will also require better constrained estimates of the composition of SCCP emissions. There is, however, also large uncertainty and lack of coherence in the existing observations, and better model-measurement agreement will require improved analytical methods and more strategic sampling. More measurements of SCCP levels and compositions in samples from background regions are particularly important.

Using integrated environmental modeling to automate a process-based Quantitative Microbial Risk Assessment

EPA Science Inventory

Integrated Environmental Modeling (IEM) organizes multidisciplinary knowledge that explains and predicts environmental-system response to stressors. A Quantitative Microbial Risk Assessment (QMRA) is an approach integrating a range of disparate data (fate/transport, exposure, an...

Using Integrated Environmental Modeling to Automate a Process-Based Quantitative Microbial Risk Assessment (presentation)

EPA Science Inventory

Integrated Environmental Modeling (IEM) organizes multidisciplinary knowledge that explains and predicts environmental-system response to stressors. A Quantitative Microbial Risk Assessment (QMRA) is an approach integrating a range of disparate data (fate/transport, exposure, and...

Modeling fate and transport of "Contaminants of Emerging Concern" (CECs): is the Soil Water Assessment Tool (SWAT) the appropriate model?

USDA-ARS?s Scientific Manuscript database

Background/Question/Methods As the scientific and regulatory communities realize the significant environmental impacts and ubiquity of “contaminants of emerging concern” (CECs), it is increasingly imperative to develop quantitative assessment tools to evaluate and predict the fate and transport of...

THE DOE COMPLEX-WIDE VADOSE ZONE SCIENCE AND TECHNOLOGY ROADMAP: CHARACTERIZATION MODELING AND SIMULATION OF SUBSURFACE CONTAMINANT FATE AND TRANSPORT

EPA Science Inventory

The Idaho National Engineering & Environmental Lab (INEEL) was charged by DOE EM to develop a complex-wide science and technology roadmap for the characterization, modeling and simulation of the fate and transport of contamination in the vadose zone. Various types of hazardous, r...

Using integrated environmental modeling to automate a process-based Quantitative Microbial Risk Assessment

USDA-ARS?s Scientific Manuscript database

Integrated Environmental Modeling (IEM) organizes multidisciplinary knowledge that explains and predicts environmental-system response to stressors. A Quantitative Microbial Risk Assessment (QMRA) is an approach integrating a range of disparate data (fate/transport, exposure, and human health effect...

Assessing the Risk of Engineered Nanomaterials in the Environment: Development and Application of the nanoFate Model.

PubMed

Garner, Kendra L; Suh, Sangwon; Keller, Arturo A

2017-05-16

We developed a dynamic multimedia fate and transport model (nanoFate) to predict the time-dependent accumulation of metallic engineered nanomaterials (ENMs) across environmental media. nanoFate considers a wider range of processes and environmental subcompartments than most previous models and considers ENM releases to compartments (e.g., urban, agriculture) in a manner that reflects their different patterns of use and disposal. As an example, we simulated ten years of release of nano CeO 2 , CuO, TiO 2 , and ZnO in the San Francisco Bay area. Results show that even soluble metal oxide ENMs may accumulate as nanoparticles in the environment in sufficient concentrations to exceed the minimum toxic threshold in freshwater and some soils, though this is more likely with high-production ENMs such as TiO 2 and ZnO. Fluctuations in weather and release scenario may lead to circumstances where predicted ENM concentrations approach acute toxic concentrations. The fate of these ENMs is to mostly remain either aggregated or dissolved in agricultural lands receiving biosolids and in freshwater or marine sediments. Comparison to previous studies indicates the importance of some key model aspects including climatic and temporal variations, how ENMs may be released into the environment, and the effect of compartment composition on predicted concentrations.

Development and evaluation of the bacterial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model.

PubMed

Hong, Eun-Mi; Park, Yongeun; Muirhead, Richard; Jeong, Jaehak; Pachepsky, Yakov A

2018-02-15

The Agricultural Policy/Environmental eXtender (APEX) is a watershed-scale water quality model that includes detailed representation of agricultural management. The objective of this work was to develop a process-based model for simulating the fate and transport of manure-borne bacteria on land and in streams with the APEX model. The bacteria model utilizes manure erosion rates to estimate the amount of edge-of-field bacteria export. Bacteria survival in manure is simulated as a two-stage process separately for each manure application event. In-stream microbial fate and transport processes include bacteria release from streambeds due to sediment resuspension during high flow events, active release from the streambed sediment during low flow periods, bacteria settling with sediment, and survival. Default parameter values were selected from published databases and evaluated based on field observations. The APEX model with the newly developed microbial fate and transport module was applied to simulate fate and transport of the fecal indicator bacterium Escherichia coli in the Toenepi watershed, New Zealand that was monitored for seven years. The stream network of the watershed ran through grazing lands with daily bovine waste deposition. Results show that the APEX with the bacteria module reproduced well the monitored pattern of E. coli concentrations at the watershed outlet. The APEX with the microbial fate and transport module will be utilized for predicting microbial quality of water as affected by various agricultural practices, evaluating monitoring protocols, and supporting the selection of management practices based on regulations that rely on fecal indicator bacteria concentrations. Published by Elsevier B.V.

Empirical evaluation of spatial and non-spatial European-scale multimedia fate models: results and implications for chemical risk assessment.

PubMed

Armitage, James M; Cousins, Ian T; Hauck, Mara; Harbers, Jasper V; Huijbregts, Mark A J

2007-06-01

Multimedia environmental fate models are commonly-applied tools for assessing the fate and distribution of contaminants in the environment. Owing to the large number of chemicals in use and the paucity of monitoring data, such models are often adopted as part of decision-support systems for chemical risk assessment. The purpose of this study was to evaluate the performance of three multimedia environmental fate models (spatially- and non-spatially-explicit) at a European scale. The assessment was conducted for four polycyclic aromatic hydrocarbons (PAHs) and hexachlorobenzene (HCB) and compared predicted and median observed concentrations using monitoring data collected for air, water, sediments and soils. Model performance in the air compartment was reasonable for all models included in the evaluation exercise as predicted concentrations were typically within a factor of 3 of the median observed concentrations. Furthermore, there was good correspondence between predictions and observations in regions that had elevated median observed concentrations for both spatially-explicit models. On the other hand, all three models consistently underestimated median observed concentrations in sediment and soil by 1-3 orders of magnitude. Although regions with elevated median observed concentrations in these environmental media were broadly identified by the spatially-explicit models, the magnitude of the discrepancy between predicted and median observed concentrations is of concern in the context of chemical risk assessment. These results were discussed in terms of factors influencing model performance such as the steady-state assumption, inaccuracies in emission estimates and the representativeness of monitoring data.

Environmental fate and exposure models: advances and challenges in 21st century chemical risk assessment.

PubMed

Di Guardo, Antonio; Gouin, Todd; MacLeod, Matthew; Scheringer, Martin

2018-01-24

Environmental fate and exposure models are a powerful means to integrate information on chemicals, their partitioning and degradation behaviour, the environmental scenario and the emissions in order to compile a picture of chemical distribution and fluxes in the multimedia environment. A 1995 pioneering book, resulting from a series of workshops among model developers and users, reported the main advantages and identified needs for research in the field of multimedia fate models. Considerable efforts were devoted to their improvement in the past 25 years and many aspects were refined; notably the inclusion of nanomaterials among the modelled substances, the development of models at different spatial and temporal scales, the estimation of chemical properties and emission data, the incorporation of additional environmental media and processes, the integration of sensitivity and uncertainty analysis in the simulations. However, some challenging issues remain and require research efforts and attention: the need of methods to estimate partition coefficients for polar and ionizable chemical in the environment, a better description of bioavailability in different environments as well as the requirement of injecting more ecological realism in exposure predictions to account for the diversity of ecosystem structures and functions in risk assessment. Finally, to transfer new scientific developments into the realm of regulatory risk assessment, we propose the formation of expert groups that compare, discuss and recommend model modifications and updates and help develop practical tools for risk assessment.

Dynamic Probabilistic Modeling of Environmental Emissions of Engineered Nanomaterials.

PubMed

Sun, Tian Yin; Bornhöft, Nikolaus A; Hungerbühler, Konrad; Nowack, Bernd

2016-05-03

The need for an environmental risk assessment for engineered nanomaterials (ENM) necessitates the knowledge about their environmental concentrations. Despite significant advances in analytical methods, it is still not possible to measure the concentrations of ENM in natural systems. Material flow and environmental fate models have been used to provide predicted environmental concentrations. However, almost all current models are static and consider neither the rapid development of ENM production nor the fact that many ENM are entering an in-use stock and are released with a lag phase. Here we use dynamic probabilistic material flow modeling to predict the flows of four ENM (nano-TiO2, nano-ZnO, nano-Ag and CNT) to the environment and to quantify their amounts in (temporary) sinks such as the in-use stock and ("final") environmental sinks such as soil and sediment. Caused by the increase in production, the concentrations of all ENM in all compartments are increasing. Nano-TiO2 had far higher concentrations than the other three ENM. Sediment showed in our worst-case scenario concentrations ranging from 6.7 μg/kg (CNT) to about 40 000 μg/kg (nano-TiO2). In most cases the concentrations in waste incineration residues are at the "mg/kg" level. The flows to the environment that we provide will constitute the most accurate and reliable input of masses for environmental fate models which are using process-based descriptions of the fate and behavior of ENM in natural systems and rely on accurate mass input parameters.

Review of nitrogen fate models applicable to forest landscapes in the Southern U.S.

Treesearch

D. M. Amatya; C. G. Rossi; A. Saleh; Z. Dai; M. A. Youssef; R. G. Williams; D. D. Bosch; G. M. Chescheir; G. Sun; R. W. Skaggs; C. C. Trettin; E. D. Vance; J. E. Nettles; S. Tian

2013-01-01

Assessing the environmental impacts of fertilizer nitrogen (N) used to increase productivity in managed forests is complex due to a wide range of abiotic and biotic factors affecting its forms and movement. Models developed to predict fertilizer N fate (e.g., cycling processes) and water quality impacts vary widely in their design, scope, and potential application. We...

Some aspects of cadmium flow in the U.S.

PubMed Central

Yost, K J

1979-01-01

A team of Purdue University engineers and scientists has been involved in studying sources, translocation mechanisms, and fate of cadmium in the environment. One of the principal results of this work has been the development of a cadmium flow model for the U. S. which involves simulating sources, use patterns, waste treatment and recovery techniques, waste disposal options, and environmental flow mechanisms. A series of model calculations performed specify cadmium environmental flow, fate, and human exposure for a variety of use pattern, waste treatment/recovery, and disposal scenarios over a ten-year-simulation period. PMID:488047

Spatial variability versus parameter uncertainty in freshwater fate and exposure factors of chemicals.

PubMed

Nijhof, Carl O P; Huijbregts, Mark A J; Golsteijn, Laura; van Zelm, Rosalie

2016-04-01

We compared the influence of spatial variability in environmental characteristics and the uncertainty in measured substance properties of seven chemicals on freshwater fate factors (FFs), representing the residence time in the freshwater environment, and on exposure factors (XFs), representing the dissolved fraction of a chemical. The influence of spatial variability was quantified using the SimpleBox model in which Europe was divided in 100 × 100 km regions, nested in a regional (300 × 300 km) and supra-regional (500 × 500 km) scale. Uncertainty in substance properties was quantified by means of probabilistic modelling. Spatial variability and parameter uncertainty were expressed by the ratio k of the 95%ile and 5%ile of the FF and XF. Our analysis shows that spatial variability ranges in FFs of persistent chemicals that partition predominantly into one environmental compartment was up to 2 orders of magnitude larger compared to uncertainty. For the other (less persistent) chemicals, uncertainty in the FF was up to 1 order of magnitude larger than spatial variability. Variability and uncertainty in freshwater XFs of the seven chemicals was negligible (k < 1.5). We found that, depending on the chemical and emission scenario, accounting for region-specific environmental characteristics in multimedia fate modelling, as well as accounting for parameter uncertainty, can have a significant influence on freshwater fate factor predictions. Therefore, we conclude that it is important that fate factors should not only account for parameter uncertainty, but for spatial variability as well, as this further increases the reliability of ecotoxicological impacts in LCA. Copyright © 2016 Elsevier Ltd. All rights reserved.

Development and application of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

NASA Astrophysics Data System (ADS)

Hong, E.; Park, Y.; Muirhead, R.; Jeong, J.; Pachepsky, Y. A.

2017-12-01

Pathogenic microorganisms in recreational and irrigation waters remain the subject of concern. Water quality models are used to estimate microbial quality of water sources, to evaluate microbial contamination-related risks, to guide the microbial water quality monitoring, and to evaluate the effect of agricultural management on the microbial water quality. The Agricultural Policy/Environmental eXtender (APEX) is the watershed-scale water quality model that includes highly detailed representation of agricultural management. The APEX currently does not have microbial fate and transport simulation capabilities. The objective of this work was to develop the first APEX microbial fate and transport module that could use the APEX conceptual model of manure removal together with recently introduced conceptualizations of the in-stream microbial fate and transport. The module utilizes manure erosion rates found in the APEX. Bacteria survival in soil-manure mixing layer was simulated with the two-stage survival model. Individual survival patterns were simulated for each manure application date. Simulated in-stream microbial fate and transport processes included the reach-scale passive release of bacteria with resuspended bottom sediment during high flow events, the transport of bacteria from bottom sediment due to the hyporheic exchange during low flow periods, the deposition with settling sediment, and the two-stage survival. Default parameter values were available from recently published databases. The APEX model with the newly developed microbial fate and transport module was applied to simulate seven years of monitoring data for the Toenepi watershed in New Zealand. Based on calibration and testing results, the APEX with the microbe module reproduced well the monitored pattern of E. coli concentrations at the watershed outlet. The APEX with the microbial fate and transport module will be utilized for predicting microbial quality of water under various agricultural practices, evaluating monitoring protocols, and supporting the selection of management practices based on regulations that rely on fecal indicator bacteria concentrations.

Stream dynamics and chemical transformations control the environmental fate of silver and zinc oxide nanoparticles in a watershed-scale model.

PubMed

Dale, Amy L; Lowry, Gregory V; Casman, Elizabeth A

2015-06-16

Mathematical models are needed to estimate environmental concentrations of engineered nanoparticles (NPs), which enter the environment upon the use and disposal of consumer goods and other products. We present a spatially resolved environmental fate model for the James River Basin, Virginia, that explores the influence of daily variation in streamflow, sediment transport, and stream loads from point and nonpoint sources on water column and sediment concentrations of zinc oxide (ZnO) and silver (Ag) NPs and their reaction byproducts over 20 simulation years. Spatial and temporal variability in sediment transport rates led to high NP transport such that less than 6% of NP-derived metals were retained in the river and sediments. Chemical transformations entirely eliminated ZnO NPs and doubled Zn mobility in the stream relative to Ag. Agricultural runoff accounted for 23% of total metal stream loads from NPs. Average NP-derived metal concentrations in the sediment varied spatially up to 9 orders of magnitude, highlighting the need for high-resolution models. Overall, our results suggest that "first generation" NP risk models have probably misrepresented NP fate in freshwater rivers due to low model resolutions and the simplification of NP chemistry and sediment transport.

USING LINEAR AND POLYNOMIAL MODELS TO EXAMINE THE ENVIRONMENTAL STABILITY OF VIRUSES

EPA Science Inventory

The article presents the development of model equations for describing the fate of viral infectivity in environmental samples. Most of the models were based upon the use of a two-step linear regression approach. The first step employs regression of log base 10 transformed viral t...

Environmental Risk Assessment Strategy for Nanomaterials.

PubMed

Scott-Fordsmand, Janeck J; Peijnenburg, Willie J G M; Semenzin, Elena; Nowack, Bernd; Hunt, Neil; Hristozov, Danail; Marcomini, Antonio; Irfan, Muhammad-Adeel; Jiménez, Araceli Sánchez; Landsiedel, Robert; Tran, Lang; Oomen, Agnes G; Bos, Peter M J; Hund-Rinke, Kerstin

2017-10-19

An Environmental Risk Assessment (ERA) for nanomaterials (NMs) is outlined in this paper. Contrary to other recent papers on the subject, the main data requirements, models and advancement within each of the four risk assessment domains are described, i.e., in the: (i) materials, (ii) release, fate and exposure, (iii) hazard and (iv) risk characterisation domains. The material, which is obviously the foundation for any risk assessment, should be described according to the legislatively required characterisation data. Characterisation data will also be used at various levels within the ERA, e.g., exposure modelling. The release, fate and exposure data and models cover the input for environmental distribution models in order to identify the potential (PES) and relevant exposure scenarios (RES) and, subsequently, the possible release routes, both with regard to which compartment(s) NMs are distributed in line with the factors determining the fate within environmental compartment. The initial outcome in the risk characterisation will be a generic Predicted Environmental Concentration (PEC), but a refined PEC can be obtained by applying specific exposure models for relevant media. The hazard information covers a variety of representative, relevant and reliable organisms and/or functions, relevant for the RES and enabling a hazard characterisation. The initial outcome will be hazard characterisation in test systems allowing estimating a Predicted No-Effect concentration (PNEC), either based on uncertainty factors or on a NM adapted version of the Species Sensitivity Distributions approach. The risk characterisation will either be based on a deterministic risk ratio approach (i.e., PEC/PNEC) or an overlay of probability distributions, i.e., exposure and hazard distributions, using the nano relevant models.

Environmental Risk Assessment Strategy for Nanomaterials

PubMed Central

Scott-Fordsmand, Janeck J.; Nowack, Bernd; Hunt, Neil; Hristozov, Danail; Marcomini, Antonio; Irfan, Muhammad-Adeel; Jiménez, Araceli Sánchez; Landsiedel, Robert; Tran, Lang; Oomen, Agnes G.; Bos, Peter M. J.

2017-01-01

An Environmental Risk Assessment (ERA) for nanomaterials (NMs) is outlined in this paper. Contrary to other recent papers on the subject, the main data requirements, models and advancement within each of the four risk assessment domains are described, i.e., in the: (i) materials, (ii) release, fate and exposure, (iii) hazard and (iv) risk characterisation domains. The material, which is obviously the foundation for any risk assessment, should be described according to the legislatively required characterisation data. Characterisation data will also be used at various levels within the ERA, e.g., exposure modelling. The release, fate and exposure data and models cover the input for environmental distribution models in order to identify the potential (PES) and relevant exposure scenarios (RES) and, subsequently, the possible release routes, both with regard to which compartment(s) NMs are distributed in line with the factors determining the fate within environmental compartment. The initial outcome in the risk characterisation will be a generic Predicted Environmental Concentration (PEC), but a refined PEC can be obtained by applying specific exposure models for relevant media. The hazard information covers a variety of representative, relevant and reliable organisms and/or functions, relevant for the RES and enabling a hazard characterisation. The initial outcome will be hazard characterisation in test systems allowing estimating a Predicted No-Effect concentration (PNEC), either based on uncertainty factors or on a NM adapted version of the Species Sensitivity Distributions approach. The risk characterisation will either be based on a deterministic risk ratio approach (i.e., PEC/PNEC) or an overlay of probability distributions, i.e., exposure and hazard distributions, using the nano relevant models. PMID:29048395

EPI Suite™-Estimation Program Interface

EPA Pesticide Factsheets

EPISuite predicts various physical-chemical properties and environmental fate endpoints and also include models for environmental transport. Running the tool will give the user an indication of the transport and persistence of a chemical

Chemical Transformation System: Cloud Based Cheminformatic Services to Support Integrated Environmental Modeling

EPA Science Inventory

Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not co...

Models of Fate and Transport of Pollutants in Surface Waters

ERIC Educational Resources Information Center

Okome, Gloria Eloho

2013-01-01

There is the need to answer very crucial questions of "what happens to pollutants in surface waters?" This question must be answered to determine the factors controlling fate and transport of chemicals and their evolutionary state in surface waters. Monitoring and experimental methods are used in establishing the environmental states.…

Status of the database on microorganism inactivation in environmental media (DIMEM)

USDA-ARS?s Scientific Manuscript database

Inactivation of pathogenic and indicator microorganisms is the essential component of their environmental fate which needs to be considered in environmental microbiology models. Existing data from a large number of inactivation experiments are dispersed across numerous publications with varying avai...

Modeling Engineered Nanomaterials (ENMs) Fate and ...

EPA Pesticide Factsheets

Under the Toxic Substances Control Act (TSCA), the Environmental Protection Agency (EPA) is required to perform new chemical reviews of engineered nanomaterials (ENMs) identified in pre-manufacture notices. However, environmental fate models developed for traditional contaminants are limited in their ability to simulate the environmental behavior of nanomaterials due to incomplete understanding and representation of the processes governing nanomaterial distribution in the environment and by scarce empirical data quantifying the interaction of nanomaterials with environmental surfaces. We have updated the Water Quality Analysis Simulation Program (WASP), version S, to incorporate nanomaterials as an explicitly simulated state variable. WASPS now has the capability to simulate nanomaterial fate and transport in surface waters and sediments using heteroaggregation, the kinetic process governing the attachment of nanomaterials to particles and subsequently ENM distribution in the aqueous and sediment phases. Unlike dissolved chemicals which use equilibrium partition coefficients, heteroaggregation consists of a particle collision rate and an attachment efficiency ( lXhet) that generally acts as a one direction process. To demonstrate, we used a derived a het value from sediment attachment studies to parameterize WASP for simulation of multi walled carbon nanotube (MWCNT) transport in Brier Creek, a coastal plain river located in central eastern Georgia, USA and a tr

An Integrated Modeling Approach for Describing Fate and Transport of Perfluorinated Compounds (PFCs) in Estuarine Reservoir

NASA Astrophysics Data System (ADS)

Zhang, J.; Nguyen Viet, T.; Wang, X.; Chen, H.; Gin, K. Y. H.

2014-12-01

The fate and transport processes of emerging contaminants in aquatic ecosystems are complex, which are not only determined by their own properties but also influenced by the environmental setting, physical, chemical and biological processes. A 3D-emerging contaminant model has been developed based on Delft3D water quality model and coupled with a hydrodynamic model and a catchment-scale 1D- hydrological and hydraulic model to study the possible fate and transport mechanisms of perfluorinated compounds (PFCs) in Marina Reservoir in Singapore. The main processes in the contaminant model include partitioning (among detritus, dissolved organic matter and phytoplankton), settling, resuspension and degradation. We used the integrated model to quantify the distribution of the total PFCs and two major components, namely perfluorooctanoate (PFOA) and perfluorooctane sulfonate (PFOS) in the water, sediments and organisms in the reservoir. The model yielded good agreement with the field measurements when evaluated based on the datasets in 2009 and 2010 as well as recent observations in 2013 and 2014. Our results elucidate that the model can be a useful tool to characterize the occurrence, sources, sinks and trends of PFCs both in the water column and in the sediments in the reservoir. Thisapproach provides a better understanding of mechanisms that influence the fate and transport of emerging contaminants and lays down a framework for future experiments to further explore how the dominant environmental factors change towards mitigation of emerging contaminants in the reservoirs.

Chemical Transformation System: Cloud Based Cheminformatic Services to Support Integrated Environmental Modeling (proceedings)

EPA Science Inventory

Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not co...

In silico environmental chemical science: properties and processes from statistical and computational modelling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tratnyek, Paul G.; Bylaska, Eric J.; Weber, Eric J.

2017-01-01

Quantitative structure–activity relationships (QSARs) have long been used in the environmental sciences. More recently, molecular modeling and chemoinformatic methods have become widespread. These methods have the potential to expand and accelerate advances in environmental chemistry because they complement observational and experimental data with “in silico” results and analysis. The opportunities and challenges that arise at the intersection between statistical and theoretical in silico methods are most apparent in the context of properties that determine the environmental fate and effects of chemical contaminants (degradation rate constants, partition coefficients, toxicities, etc.). The main example of this is the calibration of QSARs usingmore » descriptor variable data calculated from molecular modeling, which can make QSARs more useful for predicting property data that are unavailable, but also can make them more powerful tools for diagnosis of fate determining pathways and mechanisms. Emerging opportunities for “in silico environmental chemical science” are to move beyond the calculation of specific chemical properties using statistical models and toward more fully in silico models, prediction of transformation pathways and products, incorporation of environmental factors into model predictions, integration of databases and predictive models into more comprehensive and efficient tools for exposure assessment, and extending the applicability of all the above from chemicals to biologicals and materials.« less

Use of the Chemical Transformation Simulator as a Parameterization Tool for Modeling the Environmental Fate of Organic Chemicals and their Transformation Products

EPA Science Inventory

A Chemical Transformation Simulator is a web-based system for predicting transformation pathways and physicochemical properties of organic chemicals. Role in Environmental Modeling • Screening tool for identifying likely transformation products in the environment • Parameteri...

Caenorhabditis elegans vulval cell fate patterning

NASA Astrophysics Data System (ADS)

Félix, Marie-Anne

2012-08-01

The spatial patterning of three cell fates in a row of competent cells is exemplified by vulva development in the nematode Caenorhabditis elegans. The intercellular signaling network that underlies fate specification is well understood, yet quantitative aspects remain to be elucidated. Quantitative models of the network allow us to test the effect of parameter variation on the cell fate pattern output. Among the parameter sets that allow us to reach the wild-type pattern, two general developmental patterning mechanisms of the three fates can be found: sequential inductions and morphogen-based induction, the former being more robust to parameter variation. Experimentally, the vulval cell fate pattern is robust to stochastic and environmental challenges, and minor variants can be detected. The exception is the fate of the anterior cell, P3.p, which is sensitive to stochastic variation and spontaneous mutation, and is also evolving the fastest. Other vulval precursor cell fates can be affected by mutation, yet little natural variation can be found, suggesting stabilizing selection. Despite this fate pattern conservation, different Caenorhabditis species respond differently to perturbations of the system. In the quantitative models, different parameter sets can reconstitute their response to perturbation, suggesting that network variation among Caenorhabditis species may be quantitative. Network rewiring likely occurred at longer evolutionary scales.

PREDICTION OF PHYSICOCHEMICAL PROCESSES FOR ENVIRONMENTAL MODELING BY COMPUTER

EPA Science Inventory

The major differences among behavioral profiles of molecules in the environment are attributable to their physicochemical properties. For most chemicals, only fragmentary knowledge exists about those properties that determine each compound's environmental fate. A chemical-by-ch...

Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances.

PubMed Central

Cronin, Mark T D; Walker, John D; Jaworska, Joanna S; Comber, Michael H I; Watts, Christopher D; Worth, Andrew P

2003-01-01

This article is a review of the use, by regulatory agencies and authorities, of quantitative structure-activity relationships (QSARs) to predict ecologic effects and environmental fate of chemicals. For many years, the U.S. Environmental Protection Agency has been the most prominent regulatory agency using QSARs to predict the ecologic effects and environmental fate of chemicals. However, as increasing numbers of standard QSAR methods are developed and validated to predict ecologic effects and environmental fate of chemicals, it is anticipated that more regulatory agencies and authorities will find them to be acceptable alternatives to chemical testing. PMID:12896861

Pesticide Environmental Fate Research for the 21st Century: Building Bridges Between Laboratory and Field Studies at Varying Scales

USDA-ARS?s Scientific Manuscript database

Accurate determination of predicted environmental concentrations (PECs) is a continuing and often elusive goal of pesticide risk assessment. PECs are typically derived using simulation models that depend on laboratory generated data for key input parameters (t1/2, Koc, etc.). Model flexibility in ...

Pesticide Environmental Fate Research for the 21st Century: Building Bridges Between Laboratory and Field Studies at Varying Scales

USDA-ARS?s Scientific Manuscript database

Accurate determination of predicted environmental concentrations (PECs) is a continuing and often elusive goal of pesticide risk assessment. PECs are typically derived using simulation models that depend on laboratory generated data for key input parameters (t1/2, Koc, etc.). Model flexibility in ev...

Development and evaluation of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

USDA-ARS?s Scientific Manuscript database

Microbial contamination of waters in agricultural watershed is the critical public health issue. The watershed-scale model has been proven to be one of the candidate tools for predicting microbial water quality and evaluating management practices. The Agricultural Policy/Environmental eXtender (APEX...

THE RELATED ROLE OF ENVIRONMENTAL MODELING FRAMEWORKS

EPA Science Inventory

In recent years the assessment of environmental systems for the purpose of regulatory decision making has expanded considerably from a medium-specific focus to a comprehensive assessment of contaminant movement from a source, through a multi-media environment (fate and transport)...

MOLECULAR DYNAMICS MODELING OF SORPTION OF PESTICIDES ONTO THE SURFACES OF KAOLINITE

EPA Science Inventory

To accurately predict the fate of contaminants in the environment and to make sound decisions about environmental remediation, we must accurately understand sorption mechanisms and surface reactivity of environmental particles. Sorption of selected pesticides on kaolinite surface...

Upcoming Environmental Modeling in Ground Water Public Meeting

EPA Pesticide Factsheets

This meeting provides a public forum for pesticide registrants, other stakeholders and EPA to discuss current issues related to modeling pesticide fate, transport, and exposure for pesticide risk assessments in a regulatory context.

Hormonal Signal Amplification Mediates Environmental Conditions during Development and Controls an Irreversible Commitment to Adulthood

PubMed Central

Schaedel, Oren N.; Gerisch, Birgit; Antebi, Adam; Sternberg, Paul W.

2012-01-01

Many animals can choose between different developmental fates to maximize fitness. Despite the complexity of environmental cues and life history, different developmental fates are executed in a robust fashion. The nematode Caenorhabditis elegans serves as a powerful model to examine this phenomenon because it can adopt one of two developmental fates (adulthood or diapause) depending on environmental conditions. The steroid hormone dafachronic acid (DA) directs development to adulthood by regulating the transcriptional activity of the nuclear hormone receptor DAF-12. The known role of DA suggests that it may be the molecular mediator of environmental condition effects on the developmental fate decision, although the mechanism is yet unknown. We used a combination of physiological and molecular biology techniques to demonstrate that commitment to reproductive adult development occurs when DA levels, produced in the neuroendocrine XXX cells, exceed a threshold. Furthermore, imaging and cell ablation experiments demonstrate that the XXX cells act as a source of DA, which, upon commitment to adult development, is amplified and propagated in the epidermis in a DAF-12 dependent manner. This positive feedback loop increases DA levels and drives adult programs in the gonad and epidermis, thus conferring the irreversibility of the decision. We show that the positive feedback loop canalizes development by ensuring that sufficient amounts of DA are dispersed throughout the body and serves as a robust fate-locking mechanism to enforce an organism-wide binary decision, despite noisy and complex environmental cues. These mechanisms are not only relevant to C. elegans but may be extended to other hormonal-based decision-making mechanisms in insects and mammals. PMID:22505848

Risk assessment for ecotoxicity of pharmaceuticals--an emerging issue.

PubMed

Kar, Supratik; Roy, Kunal

2012-03-01

Existence of a large amount of pharmaceuticals and their active metabolites in the environment has recently been considered as one of the most serious concerns in environmental sciences. Large diversity of pharmaceuticals has been found in the environmental domain in considerable amounts that are not only destructive to environment but also fatal for human and animal fraternity. There is a considerable lack of knowledge about the environmental fate and quantification of a large number of pharmaceuticals. This communication aims to review the literature information regarding occurrence of pharmaceuticals and their metabolites in the environment, their persistence, environmental fate and toxicity as well as application of theoretical, non-experimental, non-animal, alternative and, in particular, in silico methods to provide information about the basic physicochemical and fate properties of pharmaceuticals to the environment. The reader will gain an overview of risk assessment strategies for ecotoxicity of pharmaceuticals and advances in application of quantitative structure-toxicity relationship (QSTR) in this field. This review justifies the need to develop more QSTR models for prediction of ecotoxicity of pharmaceuticals in order to reduce time and cost involvement in such exercise.

Antimicrobial Resistance in the Environment.

PubMed

Waseem, Hassan; Williams, Maggie R; Stedtfeld, Robert D; Hashsham, Syed A

2017-10-01

This review summarizes selected publications of 2016 with emphasis on occurrence and treatment of antibiotic resistance genes and bacteria in the aquatic environment and wastewater and drinking water treatment plants. The review is conducted with emphasis on fate, modeling, risk assessment and data analysis methodologies for characterizing abundance. After providing a brief introduction, the review is divided into the following four sections: i) Occurrence of AMR in the Environment, ii) Treatment Technologies for AMR, iii) Modeling of Fate, Risk, and Environmental Impact of AMR, and iv) ARG Databases and Pipelines.

Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships.

PubMed

Zukowska, Barbara; Breivik, Knut; Wania, Frank

2006-04-15

We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties.

Implementation of the Leaching Environmental Assessment Framework

EPA Science Inventory

New leaching tests are available in the U.S. for developing more accurate source terms for use in fate and transport models. For beneficial use or disposal, the use of the leaching environmental assessment framework (LEAF) will provide leaching results that reflect field condit...

Development and evaluation of the microbial fate and transport module for the Agricultural Policy/Environmental eXtender (APEX) model

NASA Astrophysics Data System (ADS)

Hong, Eun-Mi; Park, Yongeun; Muirhead, Richard; Pachepsky, Yakov

2017-04-01

Pathogenic microorganisms in recreational and irrigation waters remain the subject of concern. Water quality models are used to estimate microbial quality of water sources, to evaluate microbial contamination-related risks, to guide the microbial water quality monitoring, and to evaluate the effect of agricultural management on the microbial water quality. The Agricultural Policy/Environmental eXtender (APEX) is the watershed-scale water quality model that includes highly detailed representation of agricultural management. The APEX currently does not have microbial fate and transport simulation capabilities. The objective of this work was to develop the first APEX microbial fate and transport module that could use the APEX conceptual model of manure removal together with recently introduced conceptualizations of the in-stream microbial fate and transport. The module utilizes manure erosion rates found in the APEX. The total number of removed bacteria was set to the concentrations of bacteria in soil-manure mixing layer and eroded manure amount. Bacteria survival in soil-manure mixing layer was simulated with the two-stage survival model. Individual survival patterns were simulated for each manure application date. Simulated in-stream microbial fate and transport processes included the reach-scale passive release of bacteria with resuspended bottom sediment during high flow events, the transport of bacteria from bottom sediment due to the hyporheic exchange during low flow periods, the deposition with settling sediment, and the two-stage survival. Default parameter values were available from recently published databases. The APEX model with the newly developed microbial fate and transport module was applied to simulate seven years of monitoring data for the Toenepi watershed in New Zealand. The stream network of the watershed ran through grazing lands with the daily bovine waste deposition. Based on calibration and testing results, the APEX with the microbe module reproduced well the monitored pattern of E. coli concentrations at the watershed outlet. The APEX with the microbial fate and transport module will be utilized for predicting microbial quality of water under various agricultural practices (grazing, cropping, and manure application), evaluating monitoring protocols, and supporting the selection of management practices based on regulations that rely on fecal indicator bacteria concentrations. Future development should include modeling contributions of wildlife, manure weathering, and weather effects on manure-borne microorganism survival and release.

Acute and chronic environmental effects of clandestine methamphetamine waste.

PubMed

Kates, Lisa N; Knapp, Charles W; Keenan, Helen E

2014-09-15

The illicit manufacture of methamphetamine (MAP) produces substantial amounts of hazardous waste that is dumped illegally. This study presents the first environmental evaluation of waste produced from illicit MAP manufacture. Chemical oxygen demand (COD) was measured to assess immediate oxygen depletion effects. A mixture of five waste components (10mg/L/chemical) was found to have a COD (130 mg/L) higher than the European Union wastewater discharge regulations (125 mg/L). Two environmental partition coefficients, K(OW) and K(OC), were measured for several chemicals identified in MAP waste. Experimental values were input into a computer fugacity model (EPI Suite™) to estimate environmental fate. Experimental log K(OW) values ranged from -0.98 to 4.91, which were in accordance with computer estimated values. Experimental K(OC) values ranged from 11 to 72, which were much lower than the default computer values. The experimental fugacity model for discharge to water estimates that waste components will remain in the water compartment for 15 to 37 days. Using a combination of laboratory experimentation and computer modelling, the environmental fate of MAP waste products was estimated. While fugacity models using experimental and computational values were very similar, default computer models should not take the place of laboratory experimentation. Copyright © 2014 Elsevier B.V. All rights reserved.

Investigating the Toxicity and Environmental Fate of Graphene Nanomaterials

EPA Science Inventory

The Hersam Laboratory at Northwestern University works with the Center for Environmental Implications of Nanotechnology and the United States Environmental Protection Agency to study the toxicity and environmental fate of emergent nanomaterials, specifically carbon-based nanomate...

A Random Forest Approach to Predict the Spatial Distribution ...

EPA Pesticide Factsheets

Modeling the magnitude and distribution of sediment-bound pollutants in estuaries is often limited by incomplete knowledge of the site and inadequate sample density. To address these modeling limitations, a decision-support tool framework was conceived that predicts sediment contamination from the sub-estuary to broader estuary extent. For this study, a Random Forest (RF) model was implemented to predict the distribution of a model contaminant, triclosan (5-chloro-2-(2,4-dichlorophenoxy)phenol) (TCS), in Narragansett Bay, Rhode Island, USA. TCS is an unregulated contaminant used in many personal care products. The RF explanatory variables were associated with TCS transport and fate (proxies) and direct and indirect environmental entry. The continuous RF TCS concentration predictions were discretized into three levels of contamination (low, medium, and high) for three different quantile thresholds. The RF model explained 63% of the variance with a minimum number of variables. Total organic carbon (TOC) (transport and fate proxy) was a strong predictor of TCS contamination causing a mean squared error increase of 59% when compared to permutations of randomized values of TOC. Additionally, combined sewer overflow discharge (environmental entry) and sand (transport and fate proxy) were strong predictors. The discretization models identified a TCS area of greatest concern in the northern reach of Narragansett Bay (Providence River sub-estuary), which was validated wi

Screening level risk assessment model for chemical fate and effects in the environment.

PubMed

Arnot, Jon A; Mackay, Don; Webster, Eva; Southwood, Jeanette M

2006-04-01

A screening level risk assessment model is developed and described to assess and prioritize chemicals by estimating environmental fate and transport, bioaccumulation, and exposure to humans and wildlife for a unit emission rate. The most sensitive risk endpoint is identified and a critical emission rate is then calculated as a result of that endpoint being reached. Finally, this estimated critical emission rate is compared with the estimated actual emission rate as a risk assessment factor. This "back-tracking" process avoids the use of highly uncertain emission rate data as model input. The application of the model is demonstrated in detail for three diverse chemicals and in less detail for a group of 70 chemicals drawn from the Canadian Domestic Substances List. The simple Level II and the more complex Level III fate calculations are used to "bin" substances into categories of similar probable risk. The essential role of the model is to synthesize information on chemical and environmental properties within a consistent mass balance framework to yield an overall estimate of screening level risk with respect to the defined endpoint. The approach may be useful to identify and prioritize those chemicals of commerce that are of greatest potential concern and require more comprehensive modeling and monitoring evaluations in actual regional environments and food webs.

Environmental Fate and Aquatic Impacts of Hexzinone Applied at a High Rate for Planting Site Preparation

Treesearch

Jerry L. Michael

1998-01-01

Most environmental fate and impact concerns associated with the use of forest herbicides are related to offsite movement during and after application. The environmental fate and ecosystem impacts of forest herbicides are governed by movement and transformation in the atmosphere, above ground vegetation, soil surface, soil rooting zone, surface water, and groundwater....

Modeling the effect of snow and ice on the global environmental fate and long-range transport potential of semivolatile organic compounds.

PubMed

Stocker, Judith; Scheringer, Martin; Wegmann, Fabio; Hungerbuhler, Konrad

2007-09-01

Snow and ice have been implemented in a global multimedia box model to investigate the influence of these media on the environmental fate and long-range transport (LRT) of semivolatile organic compounds (SOCs). Investigated compounds include HCB, PCB28, PCB180, PBDE47, PBDE209, alpha-HCH, and dacthal. In low latitudes, snow acts as a transfer medium taking up chemicals from air and releasing them to water or soil during snowmelt. In high latitudes, snow and ice shield water, soil, and vegetation from chemical deposition. In the model version including snow and ice (scenario 2), the mass of chemicals in soil in high latitudes is between 27% (HCB) and 97% (alpha-HCH) of the mass calculated with the model version without snow and ice (scenario 1). Amounts in Arctic seawater in scenario 2 are 8% (alpha-HCH) to 21% (dacthal) of the amounts obtained in scenario 1. For all investigated chemicals except alpha-HCH, presence of snow and ice in the model increases the concentration in air by a factor of 2 (HCB)to 10 (PBDE209). Because of reduced net deposition to snow-covered surfaces in high latitudes, LRT to the Arctic is reduced for most chemicals whereas transport to the south is more pronounced than in scenario 1 ("southward shift"). The presence of snow and ice thus considerably changes the environmental fate of SOCs.

Implementation of a 3D Coupled Hydrodynamic and Contaminant Fate Model for PCDD/Fs in Thau Lagoon (France): The Importance of Atmospheric Sources of Contamination

PubMed Central

Dueri, Sibylle; Marinov, Dimitar; Fiandrino, Annie; Tronczyński, Jacek; Zaldívar, José-Manuel

2010-01-01

A 3D hydrodynamic and contaminant fate model was implemented for polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in Thau lagoon. The hydrodynamic model was tested against temperature and salinity measurements, while the contaminant fate model was assessed against available data collected at different stations inside the lagoon. The model results allow an assessment of the spatial and temporal variability of the distribution of contaminants in the lagoon, the seasonality of loads and the role of atmospheric deposition for the input of PCDD/Fs. The outcome suggests that air is an important source of PCDD/Fs for this ecosystem, therefore the monitoring of air pollution is very appropriate for assessing the inputs of these contaminants. These results call for the development of integrated environmental protection policies. PMID:20617040

Polycyclic aromatic hydrocarbons - fate and long-range atmospheric transport studied using a global model, EMAC-SVOC

NASA Astrophysics Data System (ADS)

Octaviani, Mega; Tost, Holger; Lammel, Gerhard

2017-04-01

Polycyclic aromatic hydrocarbons (PAHs) are emitted by incomplete combustion from fossil fuel, vehicles, and biomass burning. They may persist in environmental compartments, pose a health hazard and may bio accumulate along food chains. The ECHAM/MESSy Atmospheric Chemistry (EMAC) model had been used to simulate global tropospheric, stratospheric chemistry and climate. In this study, we improve the model to include simulations of the transport and fate of semi-volatile organic compounds (SVOC). The EMAC-SVOC model takes into account essential environmental processes including gas-particle partitioning, dry and wet deposition, chemical and bio-degradation, and volatilization from sea surface, soils, vegetation, and snow. The model was evaluated against observational data in the Arctic, mid-latitudes, and tropics, and further applied to study total environmental lifetime and long-range transport potential (LRTP) of PAHs. We selected four compounds for study, spanning a wide range of volatility, i.e., phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Several LRTP indicators were investigated, including the Arctic contamination potential, meridional spreading, and zonal and meridional fluxes to remote regions.

A new multimedia contaminant fate model for China: how important are environmental parameters in influencing chemical persistence and long-range transport potential?

PubMed

Zhu, Ying; Price, Oliver R; Tao, Shu; Jones, Kevin C; Sweetman, Andy J

2014-08-01

We present a new multimedia chemical fate model (SESAMe) which was developed to assess chemical fate and behaviour across China. We apply the model to quantify the influence of environmental parameters on chemical overall persistence (POV) and long-range transport potential (LRTP) in China, which has extreme diversity in environmental conditions. Sobol sensitivity analysis was used to identify the relative importance of input parameters. Physicochemical properties were identified as more influential than environmental parameters on model output. Interactive effects of environmental parameters on POV and LRTP occur mainly in combination with chemical properties. Hypothetical chemicals and emission data were used to model POV and LRTP for neutral and acidic chemicals with different KOW/DOW, vapour pressure and pKa under different precipitation, wind speed, temperature and soil organic carbon contents (fOC). Generally for POV, precipitation was more influential than the other environmental parameters, whilst temperature and wind speed did not contribute significantly to POV variation; for LRTP, wind speed was more influential than the other environmental parameters, whilst the effects of other environmental parameters relied on specific chemical properties. fOC had a slight effect on POV and LRTP, and higher fOC always increased POV and decreased LRTP. Example case studies were performed on real test chemicals using SESAMe to explore the spatial variability of model output and how environmental properties affect POV and LRTP. Dibenzofuran released to multiple media had higher POV in northwest of Xinjiang, part of Gansu, northeast of Inner Mongolia, Heilongjiang and Jilin. Benzo[a]pyrene released to the air had higher LRTP in south Xinjiang and west Inner Mongolia, whilst acenaphthene had higher LRTP in Tibet and west Inner Mongolia. TCS released into water had higher LRTP in Yellow River and Yangtze River catchments. The initial case studies demonstrated that SESAMe performed well on comparing POV and LRTP of chemicals in different regions across China in order to potentially identify the most sensitive regions. This model should not only be used to estimate POV and LRTP for screening and risk assessments of chemicals, but could potentially be used to help design chemical monitoring programmes across China in the future. Copyright © 2014 Elsevier Ltd. All rights reserved.

Computational Toxicology: Application in Environmental Chemicals

EPA Science Inventory

This chapter provides an overview of computational models that describe various aspects of the source-to-health effect continuum. Fate and transport models describe the release, transportation, and transformation of chemicals from sources of emission throughout the general envir...

Improving substance information in USEtox® , part 2: Data for estimating fate and ecosystem exposure factors.

PubMed

Saouter, Erwan; Aschberger, Karin; Fantke, Peter; Hauschild, Michael Z; Kienzler, Aude; Paini, Alicia; Pant, Rana; Radovnikovic, Anita; Secchi, Michela; Sala, Serenella

2017-12-01

The scientific consensus model USEtox ® has been developed since 2003 under the auspices of the United Nations Environment Programme-Society of Environmental Toxicology and Chemistry Life Cycle Initiative as a harmonized approach for characterizing human and freshwater toxicity in life cycle assessment and other comparative assessment frameworks. Using physicochemical substance properties, USEtox quantifies potential human toxicity and freshwater ecotoxicity impacts by combining environmental fate, exposure, and toxicity effects information, considering multimedia fate and multipathway exposure processes. The main source to obtain substance properties for USEtox 1.01 and 2.0 is the Estimation Program Interface (EPI Suite™) from the US Environmental Protection Agency. However, since the development of the original USEtox substance databases, new chemical regulations have been enforced in Europe, such as the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) and the Plant Protection Products regulations. These regulations require that a chemical risk assessment for humans and the environment is performed before a chemical is placed on the European market. Consequently, additional physicochemical property data and new toxicological endpoints are now available for thousands of chemical substances. The aim of the present study was to explore the extent to which the new available data can be used as input for USEtox-especially for application in environmental footprint studies-and to discuss how this would influence the quantification of fate and exposure factors. Initial results show that the choice of data source and the parameters selected can greatly influence fate and exposure factors, leading to potentially different rankings and relative contributions of substances to overall human toxicity and ecotoxicity impacts. Moreover, it is crucial to discuss the relevance of the exposure factor for freshwater ecotoxicity impacts, particularly for persistent highly adsorbing and bioaccumulating substances. Environ Toxicol Chem 2017;36:3463-3470. © 2017 The Authors. Environmental Toxicology and Chemistry Published by Wiley Periodicals, Inc. on behalf of SETAC. © 2017 The Authors. Environmental Toxicology and Chemistry Published by Wiley Periodicals, Inc. on behalf of SETAC.

Simulating Multiwalled Carbon Nanotube Transport in Surface Water Systems Using the Water Quality Analysis Simulation Program (WASP)

EPA Science Inventory

Under the Toxic Substances Control Act (TSCA), the Environmental Protection Agency (EPA) is required to perform new chemical reviews of nanomaterials identified in premanufacture notices. However, environmental fate models developed for traditional contaminants are limited in the...

Modeling Approaches for Characterizing and Evaluating Environmental Exposure to Engineered Nanomaterials in Support of Risk-Based Decision Making

EPA Science Inventory

As the use of engineered nanomaterials becomes more prevalent, the likelihood of unintended exposure to these materials also increases. Given the current scarcity of experimental data regarding fate, transport, and bioavailability, determining potential environmental exposure to ...

Nevada Test and Training Range Depleted Uranium Target Disposal Environmental Assessment

DTIC Science & Technology

2005-03-01

to establish the probability and scope of such transport. Long-Term Fate of Depleted Uranium at Aberdeen and Yuma Proving Grounds Phase II: Human...1990. Long-Term Fate of Depleted Uranium at Aberdeen and Yuma Proving Grounds Final Report, Phase 1: Geochemical Transport and Modeling. Los...of Depleted Uranium at Aberdeen and Yuma Proving Grounds , Phase II: Human Health and Ecological Risk Assessments. Los Alamos National Laboratory

The influence of vertical sorbed phase transport on the fate of organic chemicals in surface soils.

PubMed

McLachlan, Michael S; Czub, Gertje; Wania, Frank

2002-11-15

Gaseous exchange between surface soil and the atmosphere is an important process in the environmental fate of many chemicals. It was hypothesized that this process is influenced by vertical transport of chemicals sorbed to soil particles. Vertical sorbed phase transport in surface soils occurs by many processes such as bioturbation, cryoturbation, and erosion into cracks formed by soil drying. The solution of the advection/diffusion equation proposed by Jury et al. to describe organic chemical fate in a uniformly contaminated surface soil was modified to include vertical sorbed phase transport This process was modeled using a sorbed phase diffusion coefficient, the value of which was derived from soil carbon mass balances in the literature. The effective diffusivity of the chemical in a typical soil was greater in the modified model than in the model without sorbed phase transport for compounds with log K(OW) > 2 and log K(OA) > 6. Within this chemical partitioning space, the rate of volatilization from the surface soil was larger in the modified model than in the original model by up to a factor of 65. The volatilization rate was insensitive to the value of the sorbed phase diffusion coefficient throughout much of this chemical partitioning space, indicating that the surface soil layer was essentially well-mixed and that the mass transfer coefficient was determined by diffusion through the atmospheric boundary layer only. When this process was included in a non-steady-state regional multimedia chemical fate model running with a generic emissions scenario to air, the predicted soil concentrations increased by upto a factor of 25,whilethe air concentrations decreased by as much as a factor of approximately 3. Vertical sorbed phase transport in the soil thus has a major impact on predicted air and soil concentrations, the state of equilibrium, and the direction and magnitude of the chemical flux between air and soil. It is a key process influencing the environmental fate of persistent organic pollutants (POPs).

Multimedia fate modeling and risk assessment of a commonly used azole fungicide climbazole at the river basin scale in China.

PubMed

Zhang, Qian-Qian; Ying, Guang-Guo; Chen, Zhi-Feng; Liu, You-Sheng; Liu, Wang-Rong; Zhao, Jian-Liang

2015-07-01

Climbazole is an antidandruff active ingredient commonly used in personal care products, but little is known about its environmental fate. The aim of this study was to evaluate the fate of climbazole in water, sediment, soil and air compartments of the whole China by using a level III multimedia fugacity model. The usage of climbazole was calculated to be 345 t in the whole China according to the market research data, and after wastewater treatment a total emission of 245 t was discharged into the receiving environment with approximately 93% into the water compartment and 7% into the soil compartment. The developed fugacity model was successfully applied to estimate the contamination levels and mass inventories of climbazole in various environmental compartments of the river basins in China. The predicted environmental concentration ranges of climbazole were: 0.20-367 ng/L in water, and 0.009-25.2 ng/g dry weight in sediment. The highest concentration was mainly found in Haihe River basin and the lowest was in basins of Tibet and Xinjiang regions. The mass inventory of climbazole in the whole China was estimated to be 294 t, with 6.79% in water, 83.7% in sediment, 9.49% in soil, and 0.002% in air. Preliminary risk assessment showed high risks in sediment posed by climbazole in 2 out of 58 basins in China. The medium risks in water and sediment were mostly concentrated in north China. To the best of our knowledge, it is the first report on the emissions and multimedia fate of climbazole in the river basins of the whole China. Copyright © 2015 Elsevier B.V. All rights reserved.

Bacteria transport simulation using apex model in the toenepi watershed, New Zealand

USDA-ARS?s Scientific Manuscript database

The Agricultural Policy/Environmental eXtender (APEX) model is a distributed, continuous, daily-timestep small watershed-scale hydrologic and water quality model. In this study, the newly developed fecal-derived bacteria fate and transport subroutine was applied and validated using APEX model. The ...

Influence of global climate change on chemical fate and bioaccumulation: the role of multimedia models.

PubMed

Gouin, Todd; Armitage, James M; Cousins, Ian T; Muir, Derek C G; Ng, Carla A; Reid, Liisa; Tao, Shu

2013-01-01

Multimedia environmental fate models are valuable tools for investigating potential changes associated with global climate change, particularly because thermodynamic forcing on partitioning behavior as well as diffusive and nondiffusive exchange processes are implicitly considered. Similarly, food-web bioaccumulation models are capable of integrating the net effect of changes associated with factors such as temperature, growth rates, feeding preferences, and partitioning behavior on bioaccumulation potential. For the climate change scenarios considered in the present study, such tools indicate that alterations to exposure concentrations are typically within a factor of 2 of the baseline output. Based on an appreciation for the uncertainty in model parameters and baseline output, the authors recommend caution when interpreting or speculating on the relative importance of global climate change with respect to how changes caused by it will influence chemical fate and bioavailability. Copyright © 2012 SETAC.

Similar environments but diverse fates: Responses of budding yeast to nutrient deprivation

PubMed Central

Honigberg, Saul M.

2016-01-01

Diploid budding yeast (Saccharomyces cerevisiae) can adopt one of several alternative differentiation fates in response to nutrient limitation, and each of these fates provides distinct biological functions. When different strain backgrounds are taken into account, these various fates occur in response to similar environmental cues, are regulated by the same signal transduction pathways, and share many of the same master regulators. I propose that the relationships between fate choice, environmental cues and signaling pathways are not Boolean, but involve graded levels of signals, pathway activation and master-regulator activity. In the absence of large differences between environmental cues, small differences in the concentration of cues may be reinforced by cell-to-cell signals. These signals are particularly essential for fate determination within communities, such as colonies and biofilms, where fate choice varies dramatically from one region of the community to another. The lack of Boolean relationships between cues, signaling pathways, master regulators and cell fates may allow yeast communities to respond appropriately to the wide range of environments they encounter in nature. PMID:27917388

Making fate and exposure models for freshwater ecotoxicity in life cycle assessment suitable for organic acids and bases.

PubMed

van Zelm, Rosalie; Stam, Gea; Huijbregts, Mark A J; van de Meent, Dik

2013-01-01

Freshwater fate and exposure factors were determined for organic acids and bases, making use of the knowledge on electrical interaction of ionizing chemicals and their sorption to particles. The fate factor represents the residence time in the environment whereas exposure factors equal the dissolved fraction of a chemical. Multimedia fate, exposure, and effect model USES-LCA was updated to take into account the influence of ionization, based upon the acid dissociation constant (pK(a)) of a chemical, and the environmental pH. Freshwater fate (FF) and exposure (XF) factors were determined for 415 acids and 496 bases emitted to freshwater, air, and soil. The relevance of taking account of the degree of ionization of chemicals was tested by determining the ratio (R) of the new vs. fate and exposure factors determined with USES-LCA suitable for neutral chemicals only. Our results show that the majority of freshwater fate and exposure factors of chemicals that are largely ionized in the environment are larger with the ionics model compared to the factors determined with the neutrals model version. R(FF) ranged from 2.4×10(-1) to 1.6×10(1) for freshwater emissions, from 1.2×10(-2) to 2.0×10(4) for soil emissions and from 5.8×10(-2) to 6.0×10(3) for air emissions, and R(XF) from 5.3×10(-1) to 2.2×10(1). Prediction of changed solid-water partitioning, implying a change in runoff and in removal via sedimentation, and prediction of negligible air-water partition coefficient, leading to negligible volatilization were the main contributors to the changes in freshwater fate factors. Copyright © 2012 Elsevier Ltd. All rights reserved.

Controls on the Environmental Fate of Compounds Controlled by Coupled Hydrologic and Reactive Processes

NASA Astrophysics Data System (ADS)

Hixson, J.; Ward, A. S.; McConville, M.; Remucal, C.

2017-12-01

Current understanding of how compounds interact with hydrologic processes or reactive processes have been well established. However, the environmental fate for compounds that interact with hydrologic AND reactive processes is not well known, yet critical in evaluating environmental risk. Evaluations of risk are often simplified to homogenize processes in space and time and to assess processes independently of one another. However, we know spatial heterogeneity and time-variable reactivities complicate predictions of environmental transport and fate, and is further complicated by the interaction of these processes, limiting our ability to accurately predict risk. Compounds that interact with both systems, such as photolytic compounds, require that both components are fully understood in order to predict transport and fate. Release of photolytic compounds occurs through both unintentional releases and intentional loadings. Evaluating risks associated with unintentional releases and implementing best management practices for intentional releases requires an in-depth understanding of the sensitivity of photolytic compounds to external controls. Lampricides, such as 3-trifluoromethyl-4-nitrophenol (TFM), are broadly applied in the Great Lakes system to control the population of invasive sea lamprey. Over-dosing can yield fish kills and other detrimental impacts. Still, planning accounts for time of passage and dilution, but not the interaction of the physical and chemical systems (i.e., storage in the hyporheic zone and time-variable decay rates). In this study, we model a series of TFM applications to test the efficacy of dosing as a function of system characteristics. Overall, our results demonstrate the complexity associated with photo-sensitive compounds through stream-hyporheic systems, and highlight the need to better understand how physical and chemical systems interact to control transport and fate in the environment.

Modelling the fate of organic micropollutants in stormwater ponds.

PubMed

Vezzaro, Luca; Eriksson, Eva; Ledin, Anna; Mikkelsen, Peter S

2011-06-01

Urban water managers need to estimate the potential removal of organic micropollutants (MP) in stormwater treatment systems to support MP pollution control strategies. This study documents how the potential removal of organic MP in stormwater treatment systems can be quantified by using multimedia models. The fate of four different MP in a stormwater retention pond was simulated by applying two steady-state multimedia fate models (EPI Suite and SimpleBox) commonly applied in chemical risk assessment and a dynamic multimedia fate model (Stormwater Treatment Unit Model for Micro Pollutants--STUMP). The four simulated organic stormwater MP (iodopropynyl butylcarbamate--IPBC, benzene, glyphosate and pyrene) were selected according to their different urban sources and environmental fate. This ensures that the results can be extended to other relevant stormwater pollutants. All three models use substance inherent properties to calculate MP fate but differ in their ability to represent the small physical scale and high temporal variability of stormwater treatment systems. Therefore the three models generate different results. A Global Sensitivity Analysis (GSA) highlighted that settling/resuspension of particulate matter was the most sensitive process for the dynamic model. The uncertainty of the estimated MP fluxes can be reduced by calibrating the dynamic model against total suspended solids data. This reduction in uncertainty was more significant for the substances with strong tendency to sorb, i.e. glyphosate and pyrene and less significant for substances with a smaller tendency to sorb, i.e. IPBC and benzene. The results provide support to the elaboration of MP pollution control strategies by limiting the need for extensive and complex monitoring campaigns targeting the wide range of specific organic MP found in stormwater runoff. Copyright © 2011 Elsevier B.V. All rights reserved.

OPERA: A free and open source QSAR tool for predicting physicochemical properties and environmental fate endpoints

EPA Science Inventory

Collecting the chemical structures and data for necessary QSAR modeling is facilitated by available public databases and open data. However, QSAR model performance is dependent on the quality of data and modeling methodology used. This study developed robust QSAR models for physi...

Bacteria transport simulation using APEX model in the Toenepi watershed, New Zealand

USDA-ARS?s Scientific Manuscript database

The Agricultural Policy/Environmental eXtender (APEX) model is a distributed, continuous, daily-time step small watershed-scale hydrologic and water quality model. In this study, the newly developed fecal-derived bacteria fate and transport subroutine was applied and evalated using APEX model. The e...

The History and Generality of AQUATOX, a Robust Mechanistic Model

EPA Science Inventory

In 1987, the U.S. Environmental Protection Agency sponsored a workshop in Baltimore on modeling the fate and effects of toxic organics. The specifications for the AQUATOX model came out of this workshop, and the first paper on the modeling concept was published soon after. Since ...

Evaluation of the Community Multiscale Air Quality (CMAQ) Model Version 5.2

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) model is a state-of-the-science air quality model that simulates the emission, transport and fate of numerous air pollutants, including ozone and particulate matter. The Computational Exposure Division (CED) of the U.S. Environmental Pr...

Evaluation of the Community Multi-scale Air Quality Model Version 5.2

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) model is a state-of-the-science air quality model that simulates the emission, transport and fate of numerous air pollutants, including ozone and particulate matter. The Computational Exposure Division (CED) of the U.S. Environmental Pr...

ENVIRONMENTAL SCREENING MODELING OF MERCURY IN THE UPPER EVERGLADES OF SOUTH FLORIDA

EPA Science Inventory

This screening modeling analysis examines mercury sources and fate in the upper canals of the South Florida Everglades. Mass balance modeling techniques are applied along with available data to examine the relative importance of external sources and internal cycling of mercury an...

Fate and Characterization Factors of Nanoparticles in Seventeen Subcontinental Freshwaters: A Case Study on Copper Nanoparticles.

PubMed

Pu, Yubing; Tang, Feng; Adam, Pierre-Michel; Laratte, Bertrand; Ionescu, Rodica Elena

2016-09-06

The lack of characterization factors (CFs) for engineered nanoparticles (ENPs) hampers the application of life cycle assessment (LCA) methodology in evaluating the potential environmental impacts of nanomaterials. Here, the framework of the USEtox model has been selected to solve this problem. On the basis of colloid science, a fate model for ENPs has been developed to calculate the freshwater fate factor (FF) of ENPs. We also give the recommendations for using the hydrological data from the USEtox model. The functionality of our fate model is proved by comparing our computed results with the reported scenarios in North America, Switzerland, and Europe. As a case study, a literature survey of the nano-Cu toxicology values has been performed to calculate the effect factor (EF). Seventeen freshwater CFs of nano-Cu are proposed as recommended values for subcontinental regions. Depending on the regions and the properties of the ENPs, the region most likely to be affected by nano-Cu is Africa (CF of 11.11 × 10(3) CTUe, comparative toxic units) and the least likely is north Australia (CF of 3.87 × 10(3) CTUe). Furthermore, from the sensitivity analysis of the fate model, 13 input parameters (such as depth of freshwater, radius of ENPs) show vastly different degrees of influence on the outcomes. The characterization of suspended particles in freshwater and the dissolution rate of ENPs are two significant factors.

CALCULATING PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FOR ENVIRONMENTAL MODELING FROM MOLECULAR STRUCTURE

EPA Science Inventory

Mathematical models for predicting the transport and fate of pollutants in the environment require reactivity parameter values-- that is value of the physical and chemical constants that govern reactivity. Although empirical structure activity relationships have been developed t...

Impact of climate change and seasonal trends on the fate of Arctic oil spills.

PubMed

Nordam, Tor; Dunnebier, Dorien A E; Beegle-Krause, C J; Reed, Mark; Slagstad, Dag

2017-12-01

We investigated the effects of a warmer climate, and seasonal trends, on the fate of oil spilled in the Arctic. Three well blowout scenarios, two shipping accidents and a pipeline rupture were considered. We used ensembles of numerical simulations, using the OSCAR oil spill model, with environmental data for the periods 2009-2012 and 2050-2053 (representing a warmer future) as inputs to the model. Future atmospheric forcing was based on the IPCC's A1B scenario, with the ocean data generated by the hydrodynamic model SINMOD. We found differences in "typical" outcome of a spill in a warmer future compared to the present, mainly due to a longer season of open water. We have demonstrated that ice cover is extremely important for predicting the fate of an Arctic oil spill, and find that oil spills in a warming climate will in some cases result in greater areal coverage and shoreline exposure.

Evaluation of the Community Multi-scale Air Quality (CMAQ) Model Version 5.1

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) model is a state-of-the-science air quality model that simulates the emission, transport and fate of numerous air pollutants, including ozone and particulate matter. The Computational Exposure Division (CED) of the U.S. Environmental Pr...

Overview and Evaluation of the Community Multiscale Air Quality Model Version 5.2

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) model is a state-of-the-science air quality model that simulates the emission, transport and fate of numerous air pollutants, including ozone and particulate matter. The Computational Exposure Division (CED) of the U.S. Environmental Pr...

Evaluation of the Community Multi-scale Air Quality (CMAQ) Model Version 5.2

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) model is a state-of-the-science air quality model that simulates the emission, transport and fate of numerous air pollutants, including ozone and particulate matter. The Computational Exposure Division (CED) of the U.S. Environmental Pr...

OPERA: A QSAR tool for physicochemical properties and environmental fate predictions (ACS Spring meeting)

EPA Science Inventory

The collection of chemical structures and associated experimental data for QSAR modeling is facilitated by the increasing number and size of public databases. However, the performance of QSAR models highly depends on the quality of the data used and the modeling methodology. The ...

History and Generality of Aquatox

EPA Pesticide Factsheets

Aquatic fate, toxicology, and ecosystem submodels were coupled to “close the loop,” representing both direct and indirecteffects. the model is also a platform to which other environmental stressors may be added for extensive analysis.

Environmental risk assessment of selected organic chemicals based on TOC test and QSAR estimation models.

PubMed

Chi, Yulang; Zhang, Huanteng; Huang, Qiansheng; Lin, Yi; Ye, Guozhu; Zhu, Huimin; Dong, Sijun

2018-02-01

Environmental risks of organic chemicals have been greatly determined by their persistence, bioaccumulation, and toxicity (PBT) and physicochemical properties. Major regulations in different countries and regions identify chemicals according to their bioconcentration factor (BCF) and octanol-water partition coefficient (Kow), which frequently displays a substantial correlation with the sediment sorption coefficient (Koc). Half-life or degradability is crucial for the persistence evaluation of chemicals. Quantitative structure activity relationship (QSAR) estimation models are indispensable for predicting environmental fate and health effects in the absence of field- or laboratory-based data. In this study, 39 chemicals of high concern were chosen for half-life testing based on total organic carbon (TOC) degradation, and two widely accepted and highly used QSAR estimation models (i.e., EPI Suite and PBT Profiler) were adopted for environmental risk evaluation. The experimental results and estimated data, as well as the two model-based results were compared, based on the water solubility, Kow, Koc, BCF and half-life. Environmental risk assessment of the selected compounds was achieved by combining experimental data and estimation models. It was concluded that both EPI Suite and PBT Profiler were fairly accurate in measuring the physicochemical properties and degradation half-lives for water, soil, and sediment. However, the half-lives between the experimental and the estimated results were still not absolutely consistent. This suggests deficiencies of the prediction models in some ways, and the necessity to combine the experimental data and predicted results for the evaluation of environmental fate and risks of pollutants. Copyright © 2016. Published by Elsevier B.V.

USER MANUAL FOR EXPRESS, THE EXAMS-PRZM EXPOSURE SIMULATION SHELL

EPA Science Inventory

The Environmental Fate and Effects Division (EFED) of EPA's Office of Pesticide Programs(OPP) uses a suite of ORD simulation models for the exposure analysis portion of regulatory risk assessments. These models (PRZM, EXAMS, AgDisp) are complex, process-based simulation codes tha...

A global framework to model spatial ecosystems exposure to home and personal care chemicals in Asia.

PubMed

Wannaz, Cedric; Franco, Antonio; Kilgallon, John; Hodges, Juliet; Jolliet, Olivier

2018-05-01

This paper analyzes spatially ecosystem exposure to home and personal care (HPC) chemicals, accounting for market data and environmental processes in hydrological water networks, including multi-media fate and transport. We present a global modeling framework built on ScenAT (spatial scenarios of emission), SimpleTreat (sludge treatment plants), and Pangea (spatial multi-scale multimedia fate and transport of chemicals), that we apply across Asia to four chemicals selected to cover a variety of applications, volumes of production and emission, and physico-chemical and environmental fate properties: the anionic surfactant linear alkylbenzene sulphonate (LAS), the antimicrobial triclosan (TCS), the personal care preservative methyl paraben (MeP), and the emollient decamethylcyclopentasiloxane (D5). We present maps of predicted environmental concentrations (PECs) and compare them with monitored values. LAS emission levels and PECs are two to three orders of magnitude greater than for other substances, yet the literature about monitored levels of LAS in Asia is very limited. We observe a good agreement for TCS in freshwater (Pearson r=0.82, for 253 monitored values covering 12 streams), a moderate agreement in general, and a significant model underestimation for MeP in sediments. While most differences could be explained by uncertainty in both chemical/hydrological parameters (DT50 water , DT50 sediments , K oc , f oc , TSS) and monitoring sites (e.g. spatial/temporal design), the underestimation of MeP concentrations in sediments may involve potential natural sources. We illustrate the relevance of local evaluations for short-lived substances in fresh water (LAS, MeP), and their inadequacy for substances with longer half-lives (TCS, D5). This framework constitutes a milestone towards higher tier exposure modeling approaches for identifying areas of higher chemical concentration, and linking large-scale fate modeling with (sub) catchment-scale ecological scenarios; a major limitation in model accuracy comes from the discrepancy between streams routed on a gridded, 0.5°×0.5° global hydrological network and actual locations of streams and monitoring sites. Copyright © 2017 Elsevier B.V. All rights reserved.

40 CFR 799.5000 - Testing consent orders for substances and mixtures with Chemical Abstract Service Registry Numbers.

Code of Federal Regulations, 2012 CFR

2012-07-01

... March 4, 1992. 84-74-2 Di-n-butyl phthalate Environmental effects January 9, 1989. 84-75-3 Di-n-hexyl phthalate Environmental effects January 9, 1989. Chemical fate January 9, 1989. 100-40-3 4-Vinylcyclohexene...-ethylhexyl phthalate Chemical fate January 9, 1989. 119-06-2 Ditridecyl phthalate Chemical fate January 9...

40 CFR 799.5000 - Testing consent orders for substances and mixtures with Chemical Abstract Service Registry Numbers.

Code of Federal Regulations, 2014 CFR

2014-07-01

... March 4, 1992. 84-74-2 Di-n-butyl phthalate Environmental effects January 9, 1989. 84-75-3 Di-n-hexyl phthalate Environmental effects January 9, 1989. Chemical fate January 9, 1989. 100-40-3 4-Vinylcyclohexene...-ethylhexyl phthalate Chemical fate January 9, 1989. 119-06-2 Ditridecyl phthalate Chemical fate January 9...

Large-scale modeling on the fate and transport of polycyclic aromatic hydrocarbons (PAHs) in multimedia over China

NASA Astrophysics Data System (ADS)

Huang, Y.; Liu, M.; Wada, Y.; He, X.; Sun, X.

2017-12-01

In recent decades, with rapid economic growth, industrial development and urbanization, expanding pollution of polycyclic aromatic hydrocarbons (PAHs) has become a diversified and complicated phenomenon in China. However, the availability of sufficient monitoring activities for PAHs in multi-compartment and the corresponding multi-interface migration processes are still limited, especially at a large geographic area. In this study, we couple the Multimedia Fate Model (MFM) to the Community Multi-Scale Air Quality (CMAQ) model in order to consider the fugacity and the transient contamination processes. This coupled dynamic contaminant model can evaluate the detailed local variations and mass fluxes of PAHs in different environmental media (e.g., air, surface film, soil, sediment, water and vegetation) across different spatial (a county to country) and temporal (days to years) scales. This model has been applied to a large geographical domain of China at a 36 km by 36 km grid resolution. The model considers response characteristics of typical environmental medium to complex underlying surface. Results suggest that direct emission is the main input pathway of PAHs entering the atmosphere, while advection is the main outward flow of pollutants from the environment. In addition, both soil and sediment act as the main sink of PAHs and have the longest retention time. Importantly, the highest PAHs loadings are found in urbanized and densely populated regions of China, such as Yangtze River Delta and Pearl River Delta. This model can provide a good scientific basis towards a better understanding of the large-scale dynamics of environmental pollutants for land conservation and sustainable development. In a next step, the dynamic contaminant model will be integrated with the continental-scale hydrological and water resources model (i.e., Community Water Model, CWatM) to quantify a more accurate representation and feedbacks between the hydrological cycle and water quality at even larger geographical domains. Keywords: PAHs; Community multi-scale air quality model; Multimedia fate model; Land use

Application of multimedia models for screening assessment of long-range transport potential and overall persistence.

PubMed

Klasmeier, Jörg; Matthies, Michael; Macleod, Matthew; Fenner, Kathrin; Scheringer, Martin; Stroebe, Maximilian; Le Gall, Anne Christine; Mckone, Thomas; Van De Meent, Dik; Wania, Frank

2006-01-01

We propose a multimedia model-based methodology to evaluate whether a chemical substance qualifies as POP-like based on overall persistence (Pov) and potential for long-range transport (LRTP). It relies upon screening chemicals against the Pov and LRTP characteristics of selected reference chemicals with well-established environmental fates. Results indicate that chemicals of high and low concern in terms of persistence and long-range transport can be consistently identified by eight contemporary multimedia models using the proposed methodology. Model results for three hypothetical chemicals illustrate that the model-based classification of chemicals according to Pov and LRTP is not always consistent with the single-media half-life approach proposed by the UNEP Stockholm Convention and thatthe models provide additional insight into the likely long-term hazards associated with chemicals in the environment. We suggest this model-based classification method be adopted as a complement to screening against defined half-life criteria at the initial stages of tiered assessments designed to identify POP-like chemicals and to prioritize further environmental fate studies for new and existing chemicals.

Environmental Application, Fate, Effects, and Concerns of Ionic Liquids: A Review.

PubMed

Amde, Meseret; Liu, Jing-Fu; Pang, Long

2015-11-03

Ionic liquids (ILs) comprise mostly of organic salts with negligible vapor pressure and low flammability that are proposed as replacements for volatile solvents. ILs have been promoted as "green" solvents and widely investigated for their various applications. Although the utility of these chemicals is unquestionable, their toxic effects have attracted great attention. In order to manage their potential hazards and design environmentally benign ILs, understanding their environmental behavior, fate and effects is important. In this review, environmentally relevant issues of ILs, including their environmental application, environmental behavior and toxicity are addressed. In addition, also presented are the influence of ILs on the environmental fate and toxicity of other coexisting contaminants, important routes for designing nontoxic ILs and the techniques that might be adopted for the removal of ILs.

FATE-HD: A spatially and temporally explicit integrated model for predicting vegetation structure and diversity at regional scale

PubMed Central

Isabelle, Boulangeat; Damien, Georges; Wilfried, Thuiller

2014-01-01

During the last decade, despite strenuous efforts to develop new models and compare different approaches, few conclusions have been drawn on their ability to provide robust biodiversity projections in an environmental change context. The recurring suggestions are that models should explicitly (i) include spatiotemporal dynamics; (ii) consider multiple species in interactions; and (iii) account for the processes shaping biodiversity distribution. This paper presents a biodiversity model (FATE-HD) that meets this challenge at regional scale by combining phenomenological and process-based approaches and using well-defined plant functional groups. FATE-HD has been tested and validated in a French National Park, demonstrating its ability to simulate vegetation dynamics, structure and diversity in response to disturbances and climate change. The analysis demonstrated the importance of considering biotic interactions, spatio-temporal dynamics, and disturbances in addition to abiotic drivers to simulate vegetation dynamics. The distribution of pioneer trees was particularly improved, as were all undergrowth functional groups. PMID:24214499

Comparison of predicted pesticide concentrations in groundwater from SCI-GROW and PRZM-GW models with historical monitoring data.

PubMed

Estes, Tammara L; Pai, Naresh; Winchell, Michael F

2016-06-01

A key factor in the human health risk assessment process for the registration of pesticides by the US Environmental Protection Agency (EPA) is an estimate of pesticide concentrations in groundwater used for drinking water. From 1997 to 2011, these estimates were obtained from the EPA empirical model SCI-GROW. Since 2012, these estimates have been obtained from the EPA deterministic model PRZM-GW, which has resulted in a significant increase in estimated groundwater concentrations for many pesticides. Historical groundwater monitoring data from the National Ambient Water Quality Assessment (NAWQA) Program (1991-2014) were compared with predicted groundwater concentrations from both SCI-GROW (v.2.3) and PRZM-GW (v.1.07) for 66 different pesticides of varying environmental fate properties. The pesticide environmental fate parameters associated with over- and underprediction of groundwater concentrations by the two models were evaluated. In general, SCI-GROW2.3 predicted groundwater concentrations were close to maximum historically observed groundwater concentrations. However, for pesticides with soil organic carbon content values below 1000 L kg(-1) and no simulated hydrolysis, PRZM-GW overpredicted, often by greater than 100 ppb. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

HNS-MS : Improving Member States preparedness to face an HNS pollution of the Marine System

NASA Astrophysics Data System (ADS)

Legrand, Sebastien; Le Floch, Stéphane; Aprin, Laurent; Parthenay, Valérie; Donnay, Eric; Parmentier, Koen; Ovidio, Fabrice; Schallier, Ronny; Poncet, Florence; Chataing, Sophie; Poupon, Emmanuelle; Hellouvry, Yann-Hervé

2016-04-01

When dealing with a HNS pollution incident, one of the priority requirements is the identification of the hazard and an assessment of the risk posed to the public and responder safety, the environment and socioeconomic assets upon which a state or coastal community depend. The primary factors which determine the safety, environmental and socioeconomic impact of the released substance(s) relate to their physico-chemical properties and fate in the environment. Until now, preparedness actions at various levels have primarily aimed at classifying the general environmental or public health hazard of an HNS, or at performing a risk analysis of HNS transported in European marine regions. Operational datasheets have been (MIDSIS-TROCS) or are being (MAR-CIS) developed collating detailed, substance-specific information for responders and covering information needs at the first stage of an incident. However, contrary to oil pollution preparedness and response tools, only few decision-support tools used by Member State authorities (Coastguard agencies or other) integrate 3D models that are able to simulate the drift, fate and behaviour of HNS spills in the marine environment. When they do, they usually consider simplified or steady-state environmental conditions. Moreover, the above-mentioned available HNS information is currently not sufficiently detailed or not suitably classified to be used as an input for an advanced HNS support decision tool. HNS-MS aims at developing a 'one-stop shop' integrated HNS decision-support tool that is able to predict the drift, behaviour and Fate of HNS spills under realistic environmental conditions and at providing key product information - drawing upon and in complement to existing studies and databases - to improve the understanding and evaluation of a HNS spill situation in the field and the environmental and safety-related issues at stake. The 3D HNS drift and fate model and decision-support tool will also be useful at the preparedness stage. The expected results will be an operational HNS decision-support tool (prototype) for the Bonn Agreement area that can also be viewed as a demonstrator tool for other European marine regions. The developed tool will have a similar operational level as OSERIT, the Belgian oil spill drift model. The HNS decision-support tool will integrate the following features: 1. A database containing the physico-chemical parameters needed to compute the behaviour in the marine environment of 100+ relevant HNS; 2. A database of environmental and socioeconomic HNS-sensitive features; 3. A three dimensional HNS spill drift and fate model able to simulate HNS behaviour in the marine environment (including floaters, sinkers, evaporators and dissolvers). 4. A user-friendly web-based interface allowing Coastguard stations to launch a HNS drift simulation and visualize post-processed results in support of an incident evaluation and decision-making process. In this contribution, we will present the methodology followed to develop these four features.

Assessing the radar rainfall estimates in watershed-scale water quality model

USDA-ARS?s Scientific Manuscript database

Watershed-scale water quality models are effective science-based tools for interpreting change in complex environmental systems that affect hydrology cycle, soil erosion and nutrient fate and transport in watershed. Precipitation is one of the primary input data to achieve a precise rainfall-runoff ...

The Use of Chemical Probes for the Characterization of the Predominant Abiotic Reductants in Anaerobic Sediments

EPA Science Inventory

Identifying the predominant chemical reductants and pathways for electron transfer in anaerobic systems is paramount to the development of environmental fate models that incorporate pathways for abiotic reductive transformations. Currently, such models do not exist. In this chapt...

Multi-pathway exposure modelling of chemicals in cosmetics with application to shampoo

EPA Science Inventory

We present a novel multi-pathway, mass balance based, fate and exposure model compatible with life cycle and high-throughput screening assessments of chemicals in cosmetic products. The exposures through product use as well as post-use emissions and environmental media were quant...

Estimation of Physical Properties and Chemical Reactivity Parameters of Organic Compounds for Environmental Modeling by SPARC

EPA Science Inventory

Mathematical models for predicting the transport and fate of pollutants in the environment require reactivity parameter values that is value of the physical and chemical constants that govern reactivity. Although empirical structure activity relationships have been developed th...

MULTIMEDIA INTEGRATED MODELING FOR ENVIRONMENTAL PROTECTION: INTRODUCTION TO A COLLABORATIVE FRAMEWORK

EPA Science Inventory

The EPA's Office of Research and Development is embarking on a long term project to develop a Multimedia Integrated Modeling System (MIMS). The system will have capabilities to represent the transport and fate of nutrients and chemical stressors over multiple scales. MIMS will ...

Evaluation of Uncertainty in Constituent Input Parameters for Modeling the Fate of IMX 101 Components

DTIC Science & Technology

2017-05-01

ER D C/ EL T R- 17 -7 Environmental Security Technology Certification Program (ESTCP) Evaluation of Uncertainty in Constituent Input...Environmental Security Technology Certification Program (ESTCP) ERDC/EL TR-17-7 May 2017 Evaluation of Uncertainty in Constituent Input Parameters...Environmental Evaluation and Characterization Sys- tem (TREECS™) was applied to a groundwater site and a surface water site to evaluate the sensitivity

TSCA Work Plan Chemical Technical Supplement – Physicochemical Properties and Environmental Fate of the Brominated Phthalates Cluster (BPC) Chemicals

EPA Pesticide Factsheets

TSCA Work Plan Chemical Technical Supplement – Physicochemical Properties and Environmental Fate of the Brominated Phthalates Cluster (BPC) Chemicals -- Brominated Phthalates Cluster Flame Retardants.

Geo-referenced multimedia environmental fate model (G-CIEMS): model formulation and comparison to the generic model and monitoring approaches.

PubMed

Suzuki, Noriyuki; Murasawa, Kaori; Sakurai, Takeo; Nansai, Keisuke; Matsuhashi, Keisuke; Moriguchi, Yuichi; Tanabe, Kiyoshi; Nakasugi, Osami; Morita, Masatoshi

2004-11-01

A spatially resolved and geo-referenced dynamic multimedia environmental fate model, G-CIEMS (Grid-Catchment Integrated Environmental Modeling System) was developed on a geographical information system (GIS). The case study for Japan based on the air grid cells of 5 x 5 km resolution and catchments with an average area of 9.3 km2, which corresponds to about 40,000 air grid cells and 38,000 river segments/catchment polygons, were performed for dioxins, benzene, 1,3-butadiene, and di-(2-ethyhexyl)phthalate. The averaged concentration of the model and monitoring output were within a factor of 2-3 for all the media. Outputs from G-CIEMS and the generic model were essentially comparable when identical parameters were employed, whereas the G-CIEMS model gave explicit information of distribution of chemicals in the environment. Exposure-weighted averaged concentrations (EWAC) in air were calculated to estimate the exposure ofthe population, based on the results of generic, G-CIEMS, and monitoring approaches. The G-CIEMS approach showed significantly better agreement with the monitoring-derived EWAC than the generic model approach. Implication for the use of a geo-referenced modeling approach in the risk assessment scheme is discussed as a generic-spatial approach, which can be used to provide more accurate exposure estimation with distribution information, using generally available data sources for a wide range of chemicals.

Evaluating the multimedia fate of organic chemicals: A level III fugacity model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mackay, D.; Paterson, S.

A multimedia model is developed and applied to selected organic chemicals in evaluative and real regional environments. The model employs the fugacity concept and treats four bulk compartments: air, water, soil, and bottom sediment, which consist of subcompartments of varying proportions of air, water, and mineral and organic matter. Chemical equilibrium is assumed to apply within (but not between) each bulk compartment. Expressions are included for emissions, advective flows, degrading reactions, and interphase transport by diffusive and non-diffusive processes. Input to the model consists of a description of the environment, the physical-chemical and reaction properties of the chemical, and emissionmore » rates. For steady-state conditions the solution is a simple algebraic expression. The model is applied to six chemicals in the region of southern Ontario and the calculated fate and concentrations are compared with observations. The results suggest that the model may be used to determine the processes that control the environmental fate of chemicals in a region and provide approximate estimates of relative media concentrations.« less

Models of Fate and Transport of Pollutants in Surface Waters

NASA Astrophysics Data System (ADS)

Okome, Gloria Eloho

There is the need to answer very crucial questions of "what happens to pollutants in surface waters?" This question must be answered to determine the factors controlling fate and transport of chemicals and their evolutionary state in surface waters. Monitoring and experimental methods are used in establishing the environmental states. These measurements are used with the known scientific principles to identify processes and to estimate the future environmental conditions. Conceptual and computational models are needed to analyze environmental processes by applying the knowledge gained from experimentation and theory. Usually, a computational framework includes the mathematics and the physics of the phenomenon, and the measured characteristics to model pollutants interactions and transport in surface water. However, under certain conditions, the complexity of the situation in the actual environment precludes the utilization of these techniques. Pollutants in several forms: Nitrogen (Nitrate, Nitrite, Kjeldhal Nitrogen and Ammonia), Phosphorus (orthophosphate and total phosphorus), bacteria (E-coli and Fecal coliform), Salts (Chloride and Sulfate) are chosen to follow for this research. The objective of this research is to model the fate and transport of these pollutants in non-ideal conditions of surface water measurements and to develop computational methods to forecast their fate and transport. In an environment of extreme drought such as in the Brazos River basin, where small streams flow intermittently, there is added complexity due to the absence of regularly sampled data. The usual modeling techniques are no longer applicable because of sparse measurements in space and time. Still, there is a need to estimate the conditions of the environment from the information that is present. Alternative methods for this estimation must be devised and applied to this situation, which is the task of this dissertation. This research devices a forecasting technique that is based upon sparse data. The method uses the equations of functions that fit the time series data for pollutants at each water quality monitoring stations to interpolate and extrapolate the data and to make estimates of present and future pollution levels. This method was applied to data obtained from the Leon River watershed (Indian creek) and Navasota River.

Modelling fate and transport of pesticides in river catchments with drinking water abstractions

NASA Astrophysics Data System (ADS)

Desmet, Nele; Seuntjens, Piet; Touchant, Kaatje

2010-05-01

When drinking water is abstracted from surface water, the presence of pesticides may have a large impact on the purification costs. In order to respect imposed thresholds at points of drinking water abstraction in a river catchment, sustainable pesticide management strategies might be required in certain areas. To improve management strategies, a sound understanding of the emission routes, the transport, the environmental fate and the sources of pesticides is needed. However, pesticide monitoring data on which measures are founded, are generally scarce. Data scarcity hampers the interpretation and the decision making. In such a case, a modelling approach can be very useful as a tool to obtain complementary information. Modelling allows to take into account temporal and spatial variability in both discharges and concentrations. In the Netherlands, the Meuse river is used for drinking water abstraction and the government imposes the European drinking water standard for individual pesticides (0.1 ?g.L-1) for surface waters at points of drinking water abstraction. The reported glyphosate concentrations in the Meuse river frequently exceed the standard and this enhances the request for targeted measures. In this study, a model for the Meuse river was developed to estimate the contribution of influxes at the Dutch-Belgian border on the concentration levels detected at the drinking water intake 250 km downstream and to assess the contribution of the tributaries to the glyphosate loads. The effects of glyphosate decay on environmental fate were considered as well. Our results show that the application of a river model allows to asses fate and transport of pesticides in a catchment in spite of monitoring data scarcity. Furthermore, the model provides insight in the contribution of different sub basins to the pollution level. The modelling results indicate that the effect of local measures to reduce pesticides concentrations in the river at points of drinking water abstraction, might be limited due to dominant transboundary loads. This emphasizes the need for transboundary management strategies on a river catchment scale.

Cell fate determination dynamics in bacteria

NASA Astrophysics Data System (ADS)

Kuchina, Anna; Espinar, Lorena; Cagatay, Tolga; Garcia-Ojalvo, Jordi; Suel, Gurol

2010-03-01

The fitness of an organism depends on many processes that serve the purpose to adapt to changing environment in a robust and coordinated fashion. One example of such process is cellular fate determination. In the presence of a variety of alternative responses each cell adopting a particular fate represents a ``choice'' that must be tightly regulated to ensure the best survival strategy for the population taking into account the broad range of possible environmental challenges. We investigated this problem in the model organism B.Subtilis which under stress conditions differentiates terminally into highly resistant spores or initiates an alternative transient state of competence. The dynamics underlying cell fate choice remains largely unknown. We utilize quantitative fluorescent microscopy to track the activities of genes involved in these responses on a single-cell level. We explored the importance of temporal interactions between competing cell fates by re- engineering the differentiation programs. I will discuss how the precise dynamics of cellular ``decision-making'' governed by the corresponding biological circuits may enable cells to adjust to diverse environments and determine survival.

Capturing microbial sources distributed in a mixed-use watershed within an integrated environmental modeling workflow

EPA Science Inventory

Many watershed models simulate overland and instream microbial fate and transport, but few provide loading rates on land surfaces and point sources to the waterbody network. This paper describes the underlying equations for microbial loading rates associated with 1) land-applied ...

Capturing microbial sources distributed in a mixed-use watershed within an integrated environmental modeling workflow

USDA-ARS?s Scientific Manuscript database

Many watershed models simulate overland and instream microbial fate and transport, but few provide loading rates on land surfaces and point sources to the waterbody network. This paper describes the underlying equations for microbial loading rates associated with 1) land-applied manure on undevelope...

40 CFR 158.260 - Experimental use permit data requirements for environmental fate.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Experimental use permit data requirements for environmental fate. 158.260 Section 158.260 Protection of Environment ENVIRONMENTAL PROTECTION... R R TGAI or PAIRA 1 Metabolism Studies - Laboratory 835.4100 Aerobic soil R CR NR NR R NR TGAI or...

AN ASSESSMENT OF THE FATE OF METAL OXIDE NANOMATERIALS IN POROUS MEDIA

EPA Science Inventory

Developing procedures for assessing the potential environmental fate and transport of nanomaterials is an active endeavor of the environmental technical research community. Insufficient information exists for estimating the likelihood of nanomaterial deposition on natural surface...

Forecasting the Environmental Impacts of New Energetic Materials

DTIC Science & Technology

2010-11-30

Quantitative structure- activity relationships for chemical reductions of organic contaminants. Environmental Toxicology and Chemistry 22(8): 1733-1742. QSARs ...activity relationships [ QSARs ]) and the use of these properties to predict the chemical?s fate with multimedia assessment models. SERDP has recently...has several parts, including the prediction of chemical properties (e.g., with quantitative structure-activity relationships [ QSARs ]) and the use of

Spatiotemporal sensitivity analysis of vertical transport of pesticides in soil

EPA Science Inventory

Environmental fate and transport processes are influenced by many factors. Simulation models that mimic these processes often have complex implementations, which can lead to over-parameterization. Sensitivity analyses are subsequently used to identify critical parameters whose un...

Simulating Exposure Concentrations of Engineered Nanomaterials in Surface Water Systems: WASP8

EPA Science Inventory

The unique properties of engineered nanomaterials led to their increased production and potential release into the environment. Currently available environmental fate models developed for traditional contaminants are limited in their ability to simulate nanomaterials’ envir...

EnviroLand: A Simple Computer Program for Quantitative Stream Assessment.

ERIC Educational Resources Information Center

Dunnivant, Frank; Danowski, Dan; Timmens-Haroldson, Alice; Newman, Meredith

2002-01-01

Introduces the Enviroland computer program which features lab simulations of theoretical calculations for quantitative analysis and environmental chemistry, and fate and transport models. Uses the program to demonstrate the nature of linear and nonlinear equations. (Author/YDS)

Modeling pesticide fate in a small tidal estuary

USGS Publications Warehouse

McCarthy, A.M.; Bales, J.D.; Cope, W.G.; Shea, D.

2007-01-01

The exposure analysis modeling system (EXAMS), a pesticide fate model developed by the U.S. Environmental Protection Agency, was modified to model the fate of the herbicides atrazine and metolachlor in a small tidally dominated estuary (Bath Creek) in North Carolina, USA where freshwater inflow accounts for only 3% of the total flow. The modifications simulated the changes that occur during the tidal cycle in the estuary, scenarios that are not possible with the original EXAMS model. Two models were created within EXAMS, a steady-state model and a time-variant tidally driven model. The steady-state model accounted for tidal flushing by simply altering freshwater input to yield an estuary residence time equal to that measured in Bath Creek. The tidal EXAMS model explicitly incorporated tidal flushing by modifying the EXAMS code to allow for temporal changes in estuary physical attributes (e.g., volume). The models were validated with empirical measurements of atrazine and metolachlor concentrations in the estuary shortly after herbicide application in nearby fields and immediately following a rain event. Both models provided excellent agreement with measured concentrations. The steady-state EXAMS model accurately predicted atrazine concentrations in the middle of the estuary over the first 3 days and under-predicted metolachlor by a factor of 2-3. The time-variant, tidally driven EXAMS model accurately predicted the rise and plateau of both herbicides over the 6-day measurement period. We have demonstrated the ability of these modified EXAMS models to be useful in predicting pesticide fate and exposure in small tidal estuaries. This is a significant improvement and expansion of the application of EXAMS, and given the wide use of EXAMS for surface water quality modeling by both researchers and regulators and the ability of EXAMS to interface with terrestrial models (e.g., pesticide root zone model) and bioaccumulation models, we now have an easily-accessible and widely accepted means of modeling chemical fate in estuaries. ?? 2006 Elsevier B.V. All rights reserved.

An Evaluation of the Environmental Fate and Behavior of Munitions Material (TNT, RDX) in Soil and Plant Systems. Environmental Fate and Behavior of RDX

DTIC Science & Technology

1990-08-01

2.2 2.2 SOIL CHARACTERIZATION AND SAMPLING ............................................. 2.7 2.3 PLANT CULTIVATION ...cycle. 2.3 Plant Cultivation and Samoling The chemical fate of RDX in plants was evaluated using bush beans K (Phaseolus vulgaris), wheat (Triticum...particularly in light of the high tissue concentrations observed, may be important from the standpoint of food-chain transfer and ecotoxicology

The Importance of Soil Protein Fate to PIP Crop Registration

EPA Science Inventory

Plant Incorporated Protectant (PIP) crops are registered under the authority of the Federal Insecticide Fungicide and Rodenticide Act (FIFRA) and as part of this registration certain environmental fate information is required to properly judge the environmental compatibility of n...

Environmental enrichment increases the GFAP+ stem cell pool and reverses hypoxia-induced cognitive deficits in juvenile mice.

PubMed

Salmaso, Natalina; Silbereis, John; Komitova, Mila; Mitchell, Patrick; Chapman, Katherine; Ment, Laura R; Schwartz, Michael L; Vaccarino, Flora M

2012-06-27

Premature children born with very low birth weight (VLBW) can suffer chronic hypoxic injury as a consequence of abnormal lung development and cardiovascular abnormalities, often leading to grave neurological and behavioral consequences. Emerging evidence suggests that environmental enrichment improves outcome in animal models of adult brain injury and disease; however, little is known about the impact of environmental enrichment following developmental brain injury. Intriguingly, data on socio-demographic factors from longitudinal studies that examined a number of VLBW cohorts suggest that early environment has a substantial impact on neurological and behavioral outcomes. In the current study, we demonstrate that environmental enrichment significantly enhances behavioral and neurobiological recovery from perinatal hypoxic injury. Using a genetic fate-mapping model that allows us to trace the progeny of GFAP+ astroglial cells, we show that hypoxic injury increases the proportion of astroglial cells that attain a neuronal fate. In contrast, environmental enrichment increases the stem cell pool, both through increased stem cell proliferation and stem cell survival. In mice subjected to hypoxia and subsequent enrichment there is an additive effect of both conditions on hippocampal neurogenesis from astroglia, resulting in a robust increase in the number of neurons arising from GFAP+ cells by the time these mice reach full adulthood.

Multimedia fate modeling of perfluorooctanoic acid (PFOA) and perfluorooctane sulphonate (PFOS) in the shallow lake Chaohu, China.

PubMed

Kong, Xiangzhen; Liu, Wenxiu; He, Wei; Xu, Fuliu; Koelmans, Albert A; Mooij, Wolf M

2018-06-01

Freshwater shallow lake ecosystems provide valuable ecological services to human beings. However, these systems are subject to severe contamination from anthropogenic sources. Per- and polyfluoroalkyl substances (PFASs), including perfluorooctanoic acid (PFOA) and perfluorooctane sulphonate (PFOS), are among the contaminants that have received substantial attention, primarily due to abundant applications, environment persistence, and potential threats to ecological and human health. Understanding the environmental behavior of these contaminants in shallow freshwater lake environments using a modeling approach is therefore critical. Here, we characterize the fate, transport and transformation of both PFOA and PFOS in the fifth largest freshwater lake in China (Chaohu) during a two-year period (2013-2015) using a fugacity-based multimedia fate model. A reasonable agreement between the measured and modeled concentrations in various compartments confirms the model's reliability. The model successfully quantifies the environmental processes and identifies the major sources and input pathways of PFOA and PFOS to the Chaohu water body. Sensitivity analysis reveals the critical role of nonlinear Freundlich sorption, which contributes to a variable fraction of the model true uncertainty in different compartments (8.1%-93.6%). Through additional model scenario analyses, we further elucidate the importance of nonlinear Freundlich sorption that is essential for the reliable model performance. We also reveal the distinct composition of emission sources for the two contaminants, as the major sources are indirect soil volatilization and direct release from human activities for PFOA and PFOS, respectively. The present study is expected to provide implications for local management of PFASs pollution in Lake Chaohu and to contribute to developing a general model framework for the evaluation of PFASs in shallow lakes. Copyright © 2018 Elsevier Ltd. All rights reserved.

Fate and transport of manure-borne microorganisms

USDA-ARS?s Scientific Manuscript database

This lecture presents the overview of the recent research results on the environmental microbial fate and transport in the Environmental Microbial and Food Safety Laboratory. The overview of experimental sites in Maryland and Pennsylvania, and laboratory setups will be given. The emphasis on envir...

Water Quality Assessment Simulation Program (WASP8): Upgrades to the Advanced Toxicant Module for Simulating Dissolved Chemicals, Nanomaterials, and Solids

EPA Science Inventory

The Water Quality Analysis Simulation Program (WASP) is a dynamic, spatially-resolved, differential mass balance fate and transport modeling framework. WASP is used to develop models to simulate concentrations of environmental contaminants in surface waters and sediments. As a mo...

Microbial degradation on glacier surface is the missing piece of environmental fate of pesticides in cold areas

NASA Astrophysics Data System (ADS)

Ambrosini, Roberto; Ferrario, Claudia; Pittino, Francesca; Tagliaferri, Ilario; Gandolfi, Isabella; Bestetti, Giuseppina; Azzoni, Roberto S.; Diolaiuti, Guglielmina A.; Smiraglia, Claudio; Franzetti, Andrea; Villa, Sara

2017-04-01

Organic contaminants deposited on glacier surfaces undergo different partition and degradation processes which determine their environmental fate and accumulation into the trophic chains. Among these processes, biodegradation by supraglacial bacteria has been neglected so far. To assess the relevance of biodegradative processes, in situ microcosm experiments were conducted simulating cryoconite hole systems on an Alpine glacier exposed to the organophosphorus insecticide chlorpyrifos (CPF) as model of xenobiotic molecule which accumulate on glaciers after medium range transports. Results showed that biodegradation is the most efficient process contributing to the removal of CPF on the glacier surface. The high concentrations of CPF in cryoconite and its half-life in the range of 35 - 69 days indicated that biodegradation process can significantly contrast the release of CPF transported on glaciers. Moreover, the metabolic versatility of cryoconite bacteria suggest that these habitats might contribute to the degradation of a wide class of pollutants with different physical-chemical properties. Metagenomics data indicated that photoheterotrophic bacteria might be involved in the biodegradation of CPF by using light to supplement their metabolic demands, thus contributing to the biological removal of CPF without the constrain of using this pesticide as sole energy source. In conclusion. cryoconite might act as a "biofilter" for organic pollutants on glaciers by accumulating them and promoting their biodegradation. Owing to its relevance, the contribution of cryoconite to the removal of organic pollutants should be included in the models predicting the environmental fate of these compounds in cold areas.

A Random Forest approach to predict the spatial distribution of sediment pollution in an estuarine system

PubMed Central

Kreakie, Betty J.; Cantwell, Mark G.; Nacci, Diane

2017-01-01

Modeling the magnitude and distribution of sediment-bound pollutants in estuaries is often limited by incomplete knowledge of the site and inadequate sample density. To address these modeling limitations, a decision-support tool framework was conceived that predicts sediment contamination from the sub-estuary to broader estuary extent. For this study, a Random Forest (RF) model was implemented to predict the distribution of a model contaminant, triclosan (5-chloro-2-(2,4-dichlorophenoxy)phenol) (TCS), in Narragansett Bay, Rhode Island, USA. TCS is an unregulated contaminant used in many personal care products. The RF explanatory variables were associated with TCS transport and fate (proxies) and direct and indirect environmental entry. The continuous RF TCS concentration predictions were discretized into three levels of contamination (low, medium, and high) for three different quantile thresholds. The RF model explained 63% of the variance with a minimum number of variables. Total organic carbon (TOC) (transport and fate proxy) was a strong predictor of TCS contamination causing a mean squared error increase of 59% when compared to permutations of randomized values of TOC. Additionally, combined sewer overflow discharge (environmental entry) and sand (transport and fate proxy) were strong predictors. The discretization models identified a TCS area of greatest concern in the northern reach of Narragansett Bay (Providence River sub-estuary), which was validated with independent test samples. This decision-support tool performed well at the sub-estuary extent and provided the means to identify areas of concern and prioritize bay-wide sampling. PMID:28738089

The effect of the indoor environment on the fate of organic chemicals in the urban landscape.

PubMed

Cousins, Anna Palm

2012-11-01

To assess the effect of the indoor environment on the urban fate of organic chemicals, an 8-compartment indoor-inclusive steady state multimedia chemical fate model was developed. The model includes typical urban compartments (air, soil, water, sediment, and urban film) and a novel module representing a generic indoor environment. The model was parameterized to the municipality of Stockholm, Sweden and applied to four organic chemicals with different physical-chemical characteristics and use patterns: formaldehyde, 2,4,6-tribromophenol, di-ethylhexylphthalate and decabromodiphenyl ether. The results show that emissions to indoor air may increase the steady state mass and residence time in the urban environment by a factor of 1.1 to 22 for the four chemicals, compared to if emissions are assigned to outdoor air. This is due to the nested nature of the indoor environment, which creates a physical barrier that prevents chemicals from leaving the urban system with outflowing air. For DEHP and BDE 209, the additional partitioning to indoor surfaces results in a greater importance of the indoor removal pathways from surfaces. The outdoor environmental concentrations of these chemicals are predicted to be lower if emitted to indoor air than if emitted to outdoor air because of the additional indoor removal pathways of dust and indoor film, leading to loss of chemical from the system. For formaldehyde and 2,4,6-TBP outdoor environmental concentrations are not affected by whether the release occurs indoors or outdoors because of the limited partitioning to indoor surfaces. A sensitivity analysis revealed that there appears to be a relationship between logK(OA) and the impact of the ventilation rate on the urban fate of organic chemicals. Copyright © 2012 Elsevier B.V. All rights reserved.

Mechanistic modeling of insecticide risks to breeding birds in North American agroecosystems

EPA Science Inventory

Insecticide usage in the United States is ubiquitous in urban, suburban, and rural environments. In evaluating data for an insecticide registration application and for registration review, scientists at the United States Environmental Protection Agency (USEPA) assess the fate of ...

DEVELOPMENT AND VERIFICATION OF A SCREENING MODEL FOR SURFACE SPREADING OF PETROLEUM

EPA Science Inventory

Overflows and leakage from aboveground storage tanks and pipelines carrying crude oil and petroleum products occur frequently. The spilled hydrocarbons pose environmental threats by contaminating the surrounding soil and the underlying ground water. Predicting the fate and transp...

Part V--Sorption of pharmaceuticals and personal care products.

PubMed

Pan, Bo; Ning, Ping; Xing, Baoshan

2009-01-01

Pharmaceuticals and personal care products (PPCPs) including antibiotics, endocrine-disrupting chemicals, and veterinary pharmaceuticals are emerging pollutants, and their environmental risk was not emphasized until a decade ago. These compounds have been reported to cause adverse impacts on wildlife and human. However, compared to the studies on hydrophobic organic contaminants (HOCs) whose sorption characteristics is reviewed in Part IV of this review series, information on PPCPs is very limited. Thus, a summary of recent research progress on PPCP sorption in soils or sediments is necessary to clarify research requirements and directions. We reviewed the research progress on PPCP sorption in soils or sediments highlighting PPCP sorption different from that of HOCs. Special function of humic substances (HSs) on PPCP behavior is summarized according to several features of PPCP-soil or sediment interaction. In addition, we discussed the behavior of xenobiotic chemicals in a three-phase system (dissolved organic matter (DOM)-mineral-water). The complexity of three-phase systems was also discussed. Nonideal sorption of PPCPs in soils or sediments is generally reported, and PPCP sorption behavior is relatively a more complicated process compared to HOC sorption, such as the contribution of inorganic fractions, fast degradation and metabolite sorption, and species-specific sorption mechanism. Thus, mechanistic studies are urgently needed for a better understanding of their environmental risk and for pollution control. Recent research progress on nonideal sorption has not been incorporated into fate modeling of xenobiotic chemicals. A major reason is the complexity of the three-phase system. First of all, lack of knowledge in describing DOM fractionation after adsorption by mineral particles is one of the major restrictions for an accurate prediction of xenobiotic chemical behavior in the presence of DOM. Secondly, no explicit mathematical relationship between HS chemical-physical properties, and their sorption characteristics has been proposed. Last but not least, nonlinear interactions could exponentially increase the complexity and uncertainties of environmental fate models for xenobiotics. Discussion on proper simplification of fate modeling in the framework of nonlinear interactions is still unavailable. Although the methodologies and concepts for studying HOC environmental fate could be adopted for PPCP study, their differences should be highly understood. Prediction of PPCP environmental behavior needs to combine contributions from various fractions of soils or sediments and the sorption of their metabolites and different species. More detailed studies on PPCP sorption in separated soil or sediment fractions are needed in order to propose a model predicting PPCP sorption in soils or sediments based on soil or sediment properties. The information on sorption of PPCP metabolites and species and the competition between them is still not enough to be incorporated into any predictive models.

In Silico Models for Ecotoxicity of Pharmaceuticals.

PubMed

Roy, Kunal; Kar, Supratik

2016-01-01

Pharmaceuticals and their active metabolites are one of the significantly emerging environmental toxicants. The major routes of entry of pharmaceuticals into the environment are industries, hospitals, or direct disposal of unwanted or expired drugs made by the patient. The most important and distinct features of pharmaceuticals are that they are deliberately designed to have an explicit mode of action and designed to exert an effect on humans and other living systems. This distinctive feature makes pharmaceuticals and their metabolites different from other chemicals, and this necessitates the evaluation of the direct effects of pharmaceuticals in various environmental compartments as well as to living systems. In this background, the alarming situation of ecotoxicity of diverse pharmaceuticals have forced government and nongovernment regulatory authorities to recommend the application of in silico methods to provide quick information about the risk assessment and fate properties of pharmaceuticals as well as their ecological and indirect human health effects. This chapter aims to offer information regarding occurrence of pharmaceuticals in the environment, their persistence, environmental fate, and toxicity as well as application of in silico methods to provide information about the basic risk management and fate prediction of pharmaceuticals in the environment. Brief ideas about toxicity endpoints, available ecotoxicity databases, and expert systems employed for rapid toxicity predictions of ecotoxicity of pharmaceuticals are also discussed.

The environmental fate and effects of antifouling paint biocides.

PubMed

Thomas, K V; Brooks, S

2010-01-01

Antifouling (AF) biocides are the active ingredients in AF paints that prevent the settlement, adhesion and growth of organisms to a painted surface. A wide range of chemicals are used as AF biocides, which have very different physico-chemical properties and therefore differing environmental fates, behaviour and effects. Copper has been used as an antifoulant for centuries and extensive research has been performed to understand how copper speciation influences bioavailability and toxicity. For biocides that have been widely used over a number of decades, for example Irgarol 1051 and diuron, there are a large amount of environmental data in the public domain, including for their respective metabolites, that allows their environmental safety and potential risk to the environment to be assessed. For other biocides such as dichlofluanid, DCOIT (SeaNine 211) and zinc/copper pyrithione, there is a good understanding of their fate and effects. However, few monitoring studies have been performed and not so much is known about the fate and effects of their metabolites. There are also new or candidate biocides such as triphenylborane pyridine, Econea, capsaicin and medetomidine for which there is very little information in the public domain. This review provides an overview of the environmental fate and occurrence data that are in the public domain for AF biocides and provides some insight into the effects of these compounds on non-target organisms.

Surface Immobilization of Engineered Nanomaterials for in Situ Study of their Environmental Transformations and Fate

EPA Science Inventory

The transformation and environmental fate of engineered nanomaterials (ENMs) is the focus of intense research due to concerns about their potential impacts in the environment as a result of their uniquely engineered properties. Many approaches are being applied to investigate th...

40 CFR 158.2174 - Experimental use permit microbial pesticides nontarget organisms and environmental fate data...

Code of Federal Regulations, 2011 CFR

2011-07-01

... describe how to use this table to determine the terrestrial and aquatic nontarget organisms data... this section. (b) Use patterns. Aquatic uses include: food and feed, nonfood uses (e.g., outdoor... Organisms and Environmental Fate Data Requirements Guideline Number Data Requirement Use Patterns Aquatic...

Searching for Global Descriptors of Engineered Nanomaterial Fate and Transport in the Environment

PubMed Central

Nowack, Bernd

2012-01-01

CONSPECTUS Engineered nanomaterials (ENMs) are a new class of environmental pollutants. Researchers are beginning to debate whether new modeling paradigms and experimental tests to obtain model parameters are required for ENMs or if approaches for existing pollutants are robust enough to predict ENM distribution between environmental compartments. This Account outlines how experimental research can yield quantitative data for use in ENM fate and exposure models. We first review experimental testing approaches that are employed with ENMs. Then we compare and contrast ENMs against other pollutants. Finally, we summarize the findings and identify research needs that may yield global descriptors for ENMs that are suitable for use in fate and transport modeling. Over the past decade, researchers have made significant progress in understanding factors that influence the fate and transport of ENMs. In some cases researchers have developed approaches toward global descriptor models (experimental, conceptual, and quantitative). We suggest the following global descriptors for ENMs: octanol-water partition coefficients, solid-water partition coefficients, attachment coefficients, and rate constants describing reactions such as dissolution, sedimentation, and degradation. ENMs appear to accumulate at the octanol-water interface and readily interact with other interfaces, such as lipid-water interfaces. Batch experiments to investigate factors that influence retention of ENMs on solid phases are very promising. However ENMs probably do not behave in the same way as dissolved chemicals, and therefore researchers need to use measurement techniques and concepts more commonly associated with colloids. Despite several years of research with ENMs in column studies, available summaries tend to discuss the effects of ionic strength, pH, organic matter, ENM type, packing media, or other parameters qualitatively rather than reporting quantitative values, such as attachment efficiencies, that would facilitate comparison across studies. Only a few structure-activity relationships have been developed for ENMs so far, but such evaluations will facilitate the understanding of the reactivities of different forms of a single ENM. The establishment of predictive capabilities for ENMs in the environment would enable accurate exposure assessments that would assist in ENM risk management. Such information is also critical for understanding the ultimate disposition of ENMs and may provide a framework for improved engineering of nanomaterials that are more environmentally benign. PMID:22950943

A DYNAMIC SIMULATOR OF ENVIRONMENTAL CHEMICAL PARTITIONING

EPA Science Inventory

A version of the Community Multiscale Air Quality (CMAQ) model has been developed by the U.S. EPA that is capable of addressing the atmospheric fate, transport and deposition of some common trace toxics. An initial, 36-km rectangular grid-cell application for atrazine has been...

TRANSPORT, FATE AND RISK IMPLICATIONS OF ENVIRONMENTALLY ACCEPTABLE ENDPOINT DECISIONS

EPA Science Inventory

The second and third year project goals are the following: Continue to develop and finalize the expected source zone module incorporating slow release and finalize the contaminated soil screening model. Chemical rate of release data will be obtained and used with t...

LAKE MICHIGAN MASS BALANCE STUDY: PROGNOSIS FOR PCBS

EPA Science Inventory

The Lake Michigan Mass Balance Study was conducted to measure and model nutrients, atrazine, PCBs, trans-nonachlor, and mercury to gain a better understanding of the transport and fate of these substances within the system and to aid managers in the environmental decision-making ...

REDUCTIVE DEHALOGENATION OF HALOMETHANES IN IRON- AND SULFATE-REDUCING SEDIMENTS. 1. REACTIVITY PATTERN ANALYSIS

EPA Science Inventory

The incorporation of reductive transformations into environmental fate models requires the characterization of natural reductants in well-characterized sediments and aquifer materials. For this purpose, reactivity patterns (i.e., the range and relative order of reactivity) for a...

THE INFLUENCE OF MINERAL REACTIONS ON THE ENVIRONMENTAL FATE OF METALS IN SOILS AND SEDIMENTS

EPA Science Inventory

Significant progress has been made in elucidating sorption reactions that control the partitioning of metals from solution to mineral surfaces in contaminated soil/sediment systems. Surface complexation models have been developed to quantify the forward reaction, however, these ...

Modeling approaches for characterizing and evaluating environmental exposure to engineered nanomaterials in support of risk-based decision making.

PubMed

Hendren, Christine Ogilvie; Lowry, Michael; Grieger, Khara D; Money, Eric S; Johnston, John M; Wiesner, Mark R; Beaulieu, Stephen M

2013-02-05

As the use of engineered nanomaterials becomes more prevalent, the likelihood of unintended exposure to these materials also increases. Given the current scarcity of experimental data regarding fate, transport, and bioavailability, determining potential environmental exposure to these materials requires an in depth analysis of modeling techniques that can be used in both the near- and long-term. Here, we provide a critical review of traditional and emerging exposure modeling approaches to highlight the challenges that scientists and decision-makers face when developing environmental exposure and risk assessments for nanomaterials. We find that accounting for nanospecific properties, overcoming data gaps, realizing model limitations, and handling uncertainty are key to developing informative and reliable environmental exposure and risk assessments for engineered nanomaterials. We find methods suited to recognizing and addressing significant uncertainty to be most appropriate for near-term environmental exposure modeling, given the current state of information and the current insufficiency of established deterministic models to address environmental exposure to engineered nanomaterials.

Fully in Silico Calibration of Empirical Predictive Models for Environmental Fate Properties of Novel Munitions Compounds

DTIC Science & Technology

2016-04-01

57) ASTM Standard E 2552 (2008) Standard guide for assessing the environmental and human health impacts of new energetic compounds; ASTM...Project ER-1735 APRIL 2016 Paul G. Tratnyek Alexandra J. Salter-Blanc Oregon Health & Science University Eric J. Bylaska Kurt R...order NEB Nudged Elastic Band NMR Nuclear Magnetic Resonance NOM Natural Organic Matter OHSU Oregon Health & Science University PCM Polarizable

The Environmental Fate of C60 Fullerenes: A Holistic Approach

NASA Astrophysics Data System (ADS)

Schreiner, K. M.; Filley, T. R.; Blanchette, R. A.; Jafvert, C.; Bolskar, R.

2007-12-01

The manufacture and use of carbon-based nanoparticles, for which C60 fullerenes can be considered a proxy, has grown exponentially in the past decade, and nanotechnology is now a multi-billion dollar industry, spanning disciplines such as cosmetics, biotechnology, and agriculture. Despite this, almost nothing is known of the fate of these compounds in the environment. Based upon the strong radical scavenging properties of many of these substances there are a variety of microbial and photochemical-mediated oxidative fates that will transform the physicochemical properties and control the residence time of these compounds in nature. It is essential that these fates, as well as the fates of the products of the degradation of carbon nanoparticles, are known. For instance, conversion of C60 fullerenes to hydroxylated or carboxylated analogs will shift the manner in which they partition between soils and sediments and water as well as how they interact with cell membranes. This paper combines our findings on the microbial activity of C60 fullerenes, one of the most common types of manufactured carbon nanoparticles, along with recent literature to develop potential chemical decay trajectories in oxidative environmental settings. We show what is known about the environmental fate of this type of nanomaterial and also areas where further research is needed.

Evaluating the fate of six common pharmaceuticals using a reactive transport model: insights from a stream tracer test.

PubMed

Riml, Joakim; Wörman, Anders; Kunkel, Uwe; Radke, Michael

2013-08-01

Quantitative information regarding the capacity of rivers to self-purify pharmaceutical residues is limited. To bridge this knowledge gap, we present a methodology for quantifying the governing processes affecting the fate of pharmaceuticals in streaming waters and, especially, to evaluate their relative significance for tracer observations. A tracer test in Säva Brook, Sweden was evaluated using a coupled physical-biogeochemical model framework containing surface water transport together with a representation of transient storage in slow/immobile zones of the stream, which are presumably important for the retention and attenuation of pharmaceuticals. To assess the key processes affecting the environmental fate of the compounds, we linked the uncertainty estimates of the reaction rate coefficients to the relative influence of transformation and sorption that occurred in different stream environments. The hydrological and biogeochemical contributions to the fate of the pharmaceuticals were decoupled, and the results indicate a moderate hydrological retention in the hyporheic zone as well as in the densely vegetated parts of the stream. Biogeochemical reactions in these transient storage zones further affected the fate of the pharmaceuticals, and we found that sorption was the key process for bezafibrate, metoprolol, and naproxen, while primary transformation was the most important process for clofibric acid and ibuprofen. Conversely, diclofenac was not affected by sorption or transformation. Copyright © 2013 Elsevier B.V. All rights reserved.

Integrated modeling of pesticide risks to breeding birds in North American agroecosystems

EPA Science Inventory

Pesticide usage in the United States is ubiquitous in urban, suburban, and rural environments. Scientists at the United States Environmental Protection Agency (USEPA) assess the fate of pesticides and the risk those pesticides pose to the environment and non-target wildlife. We p...

Simulating the Transport and Fate of Trifluralin in Soil

Treesearch

Ying Ouyang; Jia-En Zhang; Li Hua Cui; Peter Nkedi-Kizza

2012-01-01

Understanding herbicide dynamics in agricultural soils is crucial to evaluate herbicide application efficiency and its environmental consequences. A model for herbicide trifluralin (α,α,α-reifluoro-2,6-dinitro-N,N-dipropyl-ρtoluidine) dynamics namely runoff, erosion, leaching, volatilization, and degradation losses in agricultural...

A Mass Balance for Mercury in the San Francisco Bay Area

PubMed Central

MacLeod, Matthew; McKone, Thomas E.; Mackay, Don

2008-01-01

We develop and illustrate a general regional multi-species model that describes the fate and transport of mercury in three forms, elemental, divalent, and methylated, in a generic regional environment including air, soil, vegetation, water and sediment. The objectives of the model are to describes the fate of the three forms of mercury in the environment and determine the dominant physical sinks that remove mercury from the system. Chemical transformations between the three groups of mercury species are modeled by assuming constant ratios of species concentrations in individual environmental media. We illustrate and evaluate the model with an application to describe the fate and transport of mercury in the San Francisco Bay Area of California. The model successfully rationalizes the identified sources with observed concentrations of total mercury and methyl mercury in the San Francisco Bay Estuary. The mass balance provided by the model indicates that continental and global background sources control mercury concentrations in the atmosphere but loadings to water in the San Francisco Bay estuary are dominated by runoff from the Central Valley catchment and re-mobilization of contaminated sediments deposited during past mining activities. The model suggests that the response time of mercury concentrations in the San Francisco Bay estuary to changes in loadings is long, of the order of 50 years. PMID:16190232

Sequential use of the STICS crop model and of the MACRO pesticide fate model to simulate pesticides leaching in cropping systems.

PubMed

Lammoglia, Sabine-Karen; Moeys, Julien; Barriuso, Enrique; Larsbo, Mats; Marín-Benito, Jesús-María; Justes, Eric; Alletto, Lionel; Ubertosi, Marjorie; Nicolardot, Bernard; Munier-Jolain, Nicolas; Mamy, Laure

2017-03-01

The current challenge in sustainable agriculture is to introduce new cropping systems to reduce pesticides use in order to reduce ground and surface water contamination. However, it is difficult to carry out in situ experiments to assess the environmental impacts of pesticide use for all possible combinations of climate, crop, and soils; therefore, in silico tools are necessary. The objective of this work was to assess pesticides leaching in cropping systems coupling the performances of a crop model (STICS) and of a pesticide fate model (MACRO). STICS-MACRO has the advantage of being able to simulate pesticides fate in complex cropping systems and to consider some agricultural practices such as fertilization, mulch, or crop residues management, which cannot be accounted for with MACRO. The performance of STICS-MACRO was tested, without calibration, from measurements done in two French experimental sites with contrasted soil and climate properties. The prediction of water percolation and pesticides concentrations with STICS-MACRO was satisfactory, but it varied with the pedoclimatic context. The performance of STICS-MACRO was shown to be similar or better than that of MACRO. The improvement of the simulation of crop growth allowed better estimate of crop transpiration therefore of water balance. It also allowed better estimate of pesticide interception by the crop which was found to be crucial for the prediction of pesticides concentrations in water. STICS-MACRO is a new promising tool to improve the assessment of the environmental risks of pesticides used in cropping systems.

Investigating Uncertainty and Sensitivity in Integrated, Multimedia Environmental Models: Tools for FRAMES-3MRA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babendreier, Justin E.; Castleton, Karl J.

2005-08-01

Elucidating uncertainty and sensitivity structures in environmental models can be a difficult task, even for low-order, single-medium constructs driven by a unique set of site-specific data. Quantitative assessment of integrated, multimedia models that simulate hundreds of sites, spanning multiple geographical and ecological regions, will ultimately require a comparative approach using several techniques, coupled with sufficient computational power. The Framework for Risk Analysis in Multimedia Environmental Systems - Multimedia, Multipathway, and Multireceptor Risk Assessment (FRAMES-3MRA) is an important software model being developed by the United States Environmental Protection Agency for use in risk assessment of hazardous waste management facilities. The 3MRAmore » modeling system includes a set of 17 science modules that collectively simulate release, fate and transport, exposure, and risk associated with hazardous contaminants disposed of in land-based waste management units (WMU) .« less

ENVIRONMENTAL RESEARCH BRIEF: SPATIAL HETEROGENEITY OF GEOCHEMICAL AND HYDROLOGIC PARAMETERS AFFECTING METAL TRANSPORT IN GROUND WATER

EPA Science Inventory

Reliable assessment of the hazards or risks arising from groundwater contamination and the design of effective means of rehabilitation of contaminated sites requires the capability to predict the movement and fate of dissolved solutes in groundwater. The modeling of metal transp...

ENVIRONMENTAL RESEARCH BRIEF: SPATIAL HETEROGENEITY OF GEOCHEMICAL AND HYDROLOGIC PARAMETERS AFFECTING METAL TRANSPORT IN GROUNDWATER

EPA Science Inventory

Reliable assessment of the hazards or risks arising from groundwater contamination and the design of effective means of rehabilitation of contaminated sites requires the capability to predict the movement and fate of dissolved solutes in groundwater. he modeling of metal transpor...

MEASUREMENT AND MODELING OF THE TRANSPORT OF ENDOCRINE DISRUPTING DICARBOXIMIDES AND DEGRADATION PRODUCTS FROM THE SOIL TO THE LOWER TROPOSPHERE

EPA Science Inventory

This research addresses the environmental fate, transport, exposure and potential risks from dicarboximides, a widely used class of agricultural fungicides. Certain dicarboximide fungicides and degradation products have been found to be anti-androgenic; i. e., exposure to these...

MEASURING AND MODELING THE TRANSPORT OF ENDOCRINE DISRUPTING DICARBOXIMIDES AND DEGRADATION PRODUCTS FROM THE SOIL TO THE LOWER TROPOSPHERE

EPA Science Inventory

This research addresses the environmental fate, transport, exposure and potential risks from dicarboximides, a widely used class of agricultural fungicides. Certain dicarboximide fungicides and degradation products have been found to be anti-androgenic; i. e., exposure to these...

Exploring the fate, transport and risk of Perfluorooctane Sulfonate (PFOS) in a coastal region of China using a multimedia model.

PubMed

Liu, Shijie; Lu, Yonglong; Xie, Shuangwei; Wang, Tieyu; Jones, Kevin C; Sweetman, Andrew J

2015-12-01

Perfluorooctane Sulfonate (PFOS) and related substances have been widely applied in both industrial processes and domestic products in China. Exploring the environmental fate and transport of PFOS using modeling methods provides an important link between emission and multimedia diffusion which forms a vital part in the human health risk assessment and chemical management for these substances. In this study, the gridded fugacity based BETR model was modified to make it more suitable to model transfer processes of PFOS in a coastal region, including changes to PFOS partition coefficients to reflect the influence of water salinity on its sorption behavior. The fate and transport of PFOS in the Bohai coastal region of China were simulated under steady state with the modified version of the model. Spatially distributed emissions of PFOS and related substances in 2010 were estimated and used in these simulations. Four different emission scenarios were investigated, in which a range of half-lives for PFOS related substances were considered. Concentrations of PFOS in air, vegetation, soil, fresh water, fresh water sediment and coastal water were derived from the model under the steady-state assumption. The median modeled PFOS concentrations in fresh water, fresh water sediment and soil were 7.20ng/L, 0.39ng/g and 0.21ng/g, respectively, under Emission Scenario 2 (which assumed all PFOS related substances immediately degrade to PFOS) for the whole region, while the maximum concentrations were 47.10ng/L, 4.98ng/g and 2.49ng/g, respectively. Measured concentration data for PFOS in the Bohai coastal region around the year of 2010 were collected from the literature. The reliability of the model results was evaluated by comparing the range of modeled concentrations with the measured data, which generally matched well for the main compartments. Fate and transfer fluxes were derived from the model based on the calculated inventory within the compartments, transfer fluxes between compartments and advection fluxes between sub-regions. It showed that soil and costal water were likely to be the most important sinks of PFOS in the Bohai costal region, in which more than 90% of PFOS was stored. Flows of fresh water were the driving force for spatial transport of PFOS in this region. Influences of the seasonal change of fresh water fluxes on the model results were also analyzed. When only seasonal changes of the fresh water flow rates were considered, concentrations of PFOS in winter and spring were predicted to be higher than that under annual average conditions, while the concentrations in summer and autumn were lower. For PFOS fluxes entering the sea, opposite conclusions were drawn compared to the concentrations. Environmental risks from the presence of PFOS in fresh water were assessed for this region through comparison with available water quality criteria values. The predicted concentrations of PFOS in the Bohai coastal region provided by the model were lower than the water quality criteria published by the United States Environmental Protection Agency and Chinese researchers, while the concentrations in more than 80% of the sampling locations exceeded the European Union Water Framework Directive Environmental Quality Standards values. Seasonal variations of flow rate might cause a significant increase in environmental risks. Copyright © 2015 Elsevier Ltd. All rights reserved.

AQUEOUS TOXICITY AND FOOD CHAIN TRANSFER OF QUANTUM DOTS™ IN FRESHWATER ALGAE AND CERIODAPHNIA DUBIA

PubMed Central

Bouldin, Jennifer L.; Ingle, Taylor M.; Sengupta, Anindita; Alexander, Regina; Hannigan, Robyn E.; Buchanan, Roger A.

2011-01-01

Innovative research and diagnostic techniques for biological testing have advanced during recent years because of the development of semiconductor nanocrystals. Although these commercially available, fluorescent nanocrystals have a protective organic coating, the inner core contains cadmium and selenium. Because these metals have the potential for detrimental environmental effects, concerns have been raised over our lack of understanding about the environmental fate of these products. U.S. Environmental Protection Agency test protocol and fluorescence microscopy were used to determine the fate and effect of quantum dots (QDs; Qdot® 545 ITK™ Carboxyl Quantum Dots [Fisher Scientific, Fisher part Q21391MP; Invitrogen Molecular Probes, Eugene, OR, USA]) using standard aquatic test organisms. No lethality was measured following 48-h exposure of Ceriodaphnia dubia to QD suspensions as high as 110 ppb, but the 96-h median lethal concentration to Pseudokirchneriella subcapitata was measured at 37.1 ppb. Transfer of QDs from dosed algae to C. dubia was verified with fluorescence microscopy. These results indicate that coatings present on nanocrystals provide protection from metal toxicity during laboratory exposures but that the transfer of core metals from intact nanocrystals may occur at levels well above toxic threshold values, indicating the potential exposure of higher trophic levels. Studies regarding the fate and effects of nanoparticles can be incorporated into models for predictive toxicology of these emerging contaminants. PMID:19086211

Nanomaterials in the environment: Behavior, fate, bioavailability, and effects—An updated review

USGS Publications Warehouse

Lead, Jamie R.; Batley, Graeme E.; Alvarez, Pedro J.J.; Croteau, Marie-Noele; Handy, Richard D.; McLaughlin, Michael J.; Judy, Jonathon D.; Schirmer, Kristin

2018-01-01

This review covers developments in studies of nanomaterials (NMs) in the environment, since the much‐cited review of Klaine et al. (2008). It discusses novel insights on fate and behavior, metrology, transformations, bioavailability, toxicity mechanisms and environmental impacts, with a focus on terrestrial and aquatic systems. Overall the findings were that: i) despite the substantial developments, there remain critical gaps, in large part due to the lack of analytical, modelling and field capabilities and in part due to the breadth and complexity of the area; ii) a key knowledge gap is the lack of data on environmental concentrations and dosimetry generally; iii) there is substantial evidence that there are nano‐specific effects (different from both ions and larger particles) in the environment in terms of fate, bioavailability and toxicity, but this is not consistent for all NMs, species and all relevant processes; iv) a paradigm is emerging that NMs are less toxic than equivalent dissolved materials but more toxic than the corresponding bulk materials; v) translation of incompletely understood science into regulation and policy continues to be challenging. There is a developing consensus that NMs may pose a relatively low environmental risk, however, with the uncertainty and lack of data in many areas, definitive conclusions cannot be drawn. In addition, this emerging consensus will likely change rapidly with qualitative changes in the technology and increased future discharges. 

Evaluation of the Community Multi-scale Air Quality (CMAQ) ...

EPA Pesticide Factsheets

The Community Multiscale Air Quality (CMAQ) model is a state-of-the-science air quality model that simulates the emission, transport and fate of numerous air pollutants, including ozone and particulate matter. The Computational Exposure Division (CED) of the U.S. Environmental Protection Agency develops the CMAQ model and periodically releases new versions of the model that include bug fixes and various other improvements to the modeling system. In the fall of 2015, CMAQ version 5.1 was released. This new version of CMAQ will contain important bug fixes to several issues that were identified in CMAQv5.0.2 and additionally include updates to other portions of the code. Several annual, and numerous episodic, CMAQv5.1 simulations were performed to assess the impact of these improvements on the model results. These results will be presented, along with a base evaluation of the performance of the CMAQv5.1 modeling system against available surface and upper-air measurements available during the time period simulated. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, proces

Application of TREECS Modeling System to Strontium-90 for Borschi Watershed near Chernobyl, Ukraine.

PubMed

Johnson, Billy E; Dortch, Mark S

2014-05-01

The Training Range Environmental Evaluation and Characterization System (TREECS™) (http://el.erdc.usace.army.mil/treecs/) is being developed by the U.S. Army Engineer Research and Development Center (ERDC) for the U.S. Army to forecast the fate of munitions constituents (MC) (such as high explosives (HE) and metals) found on firing/training ranges, as well as those subsequently transported to surface water and groundwater. The overall purpose of TREECS™ is to provide environmental specialists with tools to assess the potential for MC migration into surface water and groundwater systems and to assess range management strategies to ensure protection of human health and the environment. The multimedia fate/transport models within TREECS™ are mathematical models of reduced form (e.g., reduced dimensionality) that allow rapid application with less input data requirements compared with more complicated models. Although TREECS™ was developed for the fate of MC from military ranges, it has general applicability to many other situations requiring prediction of contaminant (including radionuclide) fate in multi-media environmental systems. TREECS™ was applied to the Borschi watershed near the Chernobyl Nuclear Power Plant, Ukraine. At this site, TREECS™ demonstrated its use as a modeling tool to predict the fate of strontium 90 ((90)Sr). The most sensitive and uncertain input for this application was the soil-water partitioning distribution coefficient (Kd) for (90)Sr. The TREECS™ soil model provided reasonable estimates of the surface water export flux of (90)Sr from the Borschi watershed when using a Kd for (90)Sr of 200 L/kg. The computed export for the year 2000 was 0.18% of the watershed inventory of (90)Sr compared to the estimated export flux of 0.14% based on field data collected during 1999-2001. The model indicated that assumptions regarding the form of the inventory, whether dissolved or in solid phase form, did not appreciably affect export rates. Also, the percentage of non-exchangeable adsorbed (90)Sr, which is uncertain and affects the amount of (90)Sr available for export, was fixed at 20% based on field data measurements. A Monte Carlo uncertainty analysis was conducted treating Kd as an uncertain input variable with a range of 100-300 L/kg. This analysis resulted in a range of 0.13-0.27% of inventory exported to surface water compared to 0.14% based on measured field data. Based on this model application, it was concluded that the export of (90)Sr from the Borschi watershed to surface water is predominantly a result of soil pore water containing dissolved (90)Sr being diverted to surface waters that eventually flow out of the watershed. The percentage of non-exchangeable adsorbed (90)Sr and the soil-water Kd are the two most sensitive and uncertain factors affecting the amount of export. The 200-year projections of the model showed an exponential decline in (90)Sr export fluxes from the watershed that should drop by a factor of 10 by the year 2100. This presentation will focus on TREECS capabilities and the case study done for the Borschi Watershed. Published by Elsevier Ltd.

Estuarine Human Activities Modulate the Fate of Changjiang-derived Materials in Adjacent Seas

NASA Astrophysics Data System (ADS)

WU, H.

2017-12-01

Mega constructions have been built in many river estuaries, but their environmental consequences in the adjacent coastal oceans were often overlooked. This issue was addressed with an example of the Changjiang River Estuary, which was recently built with massive navigation and reclamation constructions in recent years. Based on the model validations against cruises data and the numerical scenario experiments, it is shown that the estuarine constructions profoundly affected the fates of riverine materials in an indeed large offshore area. This is because estuarine dynamics are highly sensitive to their bathymetries. Previously, the Three Gorges Dam (TGD) was thought to be responsible for some offshore environmental changes through modulating the river plume extension, but here we show that its influences are secondary. Since the TGD and the mega estuarine constructions were built during the similar period, their influences might be confused.

An Evaluation of the Environmental Fate and behavior of Munitions Materiel (TNT, RDX) in Soil and Plant Systems. Environmental Fate and behavior of TNT

DTIC Science & Technology

1989-08-01

to which roots are exposed. Thus, soil sorption will control the concentration of soil - solution TNT and/or TNT-derived residues available for root... soil - solution TNT and/or TNT-derived residues available for root uptake. Hydroponic systems were used to calibrate subsequent soil studies and to

Implementation of the Leaching Environmental Assessment ...

EPA Pesticide Factsheets

New leaching tests are available in the U.S. for developing more accurate source terms for use in fate and transport models. For beneficial use or disposal, the use of the leaching environmental assessment framework (LEAF) will provide leaching results that reflect field conditions reflecting either use of disposal of the material or waste. To provide overview of the implementation of new leaching tests for presentation at the MEGA symposium which is for the coal-fired power industry

Estimating enthalpy of vaporization from vapor pressure using Trouton's rule.

PubMed

MacLeod, Matthew; Scheringer, Martin; Hungerbühler, Konrad

2007-04-15

The enthalpy of vaporization of liquids and subcooled liquids at 298 K (delta H(VAP)) is an important parameter in environmental fate assessments that consider spatial and temporal variability in environmental conditions. It has been shown that delta H(VAP)P for non-hydrogen-bonding substances can be estimated from vapor pressure at 298 K (P(L)) using an empirically derived linear relationship. Here, we demonstrate that the relationship between delta H(VAP)and PL is consistent with Trouton's rule and the ClausiusClapeyron equation under the assumption that delta H(VAP) is linearly dependent on temperature between 298 K and the boiling point temperature. Our interpretation based on Trouton's rule substantiates the empirical relationship between delta H(VAP) degree and P(L) degrees for non-hydrogen-bonding chemicals with subcooled liquid vapor pressures ranging over 15 orders of magnitude. We apply the relationship between delta H(VAP) degrees and P(L) degrees to evaluate data reported in literature reviews for several important classes of semivolatile environmental contaminants, including polycyclic aromatic hydrocarbons, chlorobenzenes, polychlorinated biphenyls and polychlorinated dibenzo-dioxins and -furans and illustrate the temperature dependence of results from a multimedia model presented as a partitioning map. The uncertainty associated with estimating delta H(VAP)degrees from P(L) degrees using this relationship is acceptable for most environmental fate modeling of non-hydrogen-bonding semivolatile organic chemicals.

A workshop model simulating fate and effect of drilling muds and cuttings on benthic communities

USGS Publications Warehouse

Auble, Gregor T.; Andrews, Austin K.; Hamilton, David B.; Roelle, James E.; Shoemaker, Thomas G.

1984-01-01

Oil and gas exploration and production at marine sites has generated concern over potential environmental impacts resulting from the discharge of spent drilling muds and cuttings. This concern has led to a broad array of publicly and privately sponsored research. This report described a cooperative modeling effort designed to focus information resulting from this research through construction of explicit equations that simulate the potential impacts of discharge drilling fluids (muds) and cuttings on marine communities. The model is the result of collaboration among more than 30 scientists. The principal cooperating organizations were the E.S. Environmental Protection Agency, the U.S. Minerals Management Service, the Offshore Operators Committee, and the Alaska Oil and Gas Association. The overall simulation model can be conceptualized as three connected submodels: Discharge and Plume Fate, Sediment Redistribution, and Benthic Community Effects. On each day of simulation, these submodels are executed in sequence, with flows of information between submodels. The Benthic Community Effects submodel can be further divided into sections that calculate mortality due to burial, mortality due to toxicity, mortality due to resuspension disturbance, and growth of the community. The model represents a series of seven discrete 1-m2 plots at specified distances along a transect in one direction away from a discharge point. It consists of coupled difference equations for which parameter values can easily be set to evaluate different conditions or to examine the sensitivity of output to various assumptions. Sets of parameter values were developed to represent four general cases or scenarios: (1) a shallow (5 m), cold environment with ice cover during a substantial fraction of the year, such as might be encountered in the Beaufort Sea, Alaska; (2) a shallow (20 m), temperate environment, such as might be encountered in the Gulf of Mexico; (3) a deeper (80 m), temperate environment, such as might be encountered in the Gulf of Mexico; and (4) a very deep (1,000 m) environment, such as might be encountered on the Atlantic slope. The focus of the modeling effort was on the connection of a reasonable representation of physical fate to the biological responses of populations, rather than on highly detailed representations of individual processes. For example, the calculations of physical fate are not as detailed as those in the recently published model of Brandsma et al. (1983). The value of the model described herein is in the broad scope of processes that are explicitly represented and linked together. The model cannot be considered to produce reliable predictions of the quantitative impacts of discharged drilling fluids and cuttings on biological populations at a particular site. Limitations of the model in predicting integrated fate and effects can be traced to three general areas: level of refinement of the algorithms used in the model; lack of understanding of the processes determining fate and effects; and parameter and data values. Despite the limitations, several qualitative conclusions concerning both potential impacts and the importance of various remaining data gaps can be drawn from the modeling effort. These include: (1) Simple, unequivocal conclusions about fate and effects across geographical regions and drilling operations are difficult, if not misleading, due to the large amount of variability in characteristics of discharged materials (e.g., oil content and toxicity), discharge conditions (e.g., duration of drilling operations), physical environments (e.g., water depth, current direction, and sediment disturbance regimes), and biological communities (e.g., intrinsic growth rates). Different combinations of these characteristics can result in substantial differences in simulated environmental fate and biological effects. For examples, simulated recovery in some high-energy environments occurs within months after the cessation of discharge operations, even at heavily impacted sites, whereas simulated recover in some low-energy environments takes years at heavily impacted sites. (3) The volume of material discharged and duration of operations in the production drilling operations simulated by the model are sufficient to produce substantial simulated biological impacts at some plots, both in terms of differences from a control plot during the period of discharge operations, and in terms of the recovery period following the perturbations. Evaluation of the significance of potential effects involves the following factors: • Definition of a specific spatial and temporal reference frame (e.g., What is the natural variation? Is 1 year to be considered a "long" or "short" time? Is 50 m to be considered a "large" or "trivial" distance? • Consideration of rare or unique resources and particularly sensitive biotic assemblages. • Consideration of the potential for long term, cumulative effects. Some of these aspects are clearly beyond the scope of this modeling efforts (e.g., the model does not simulate the long term fate of resuspended material). The model does, however, contain an internal "reference frame" by comparison to simulated behavior at a control plot. The model, in general, simulates substantial "natural" variation at the reference or control plots, both over time, due to sediment disturbance events in medium to high energy environments, and over space, due to geographically varying conditions, such as water depth and current regime.

Interaction of Physical and Chemical Processes Controlling the Environmental Fate and Transport of Lampricides Through Stream-Hyporheic Systems

NASA Astrophysics Data System (ADS)

Hixson, J.; Ward, A. S.; Schmadel, N.; McConville, M.; Remucal, C.

2016-12-01

The transport and fate of contaminants of emerging concern through the environment is complicated by the heterogeneity of natural systems and the unique reaction pathways of individual compounds. Our current evaluation of risk is often simplified to controls assumed to be homogeneous in space and time. However, we know spatial heterogeneity and time-variable reaction rates complicate predictions of environmental transport and fate, and therefore risk. These complications are the result of the interactions between the physical and chemical systems and the time-variable equilibrium that exists between the two. Compounds that interact with both systems, such as photolytic compounds, require that both components are fully understood in order to predict transport and fate. Release of photolytic compounds occurs through both unintentional releases and intentional loadings. Evaluating risks associated with unintentional releases and implementing best management practices for intentional releases requires an in-depth understanding of the sensitivity of photolytic compounds to external controls. Lampricides, such as 3-trifluoromethyl-4-nitrophenol (TFM), are broadly applied in the Great Lakes system to control the population of invasive sea lamprey. Over-dosing can yield fish kills and other detrimental impacts. Still, planning accounts for time of passage and dilution, but not the interaction of the physical and chemical systems (i.e., storage in the hyporheic zone and time-variable decay rates). In this study, we model a series of TFM applications to test the efficacy of dosing as a function of system characteristics. Overall, our results demonstrate the complexity associated with photo-sensitive compounds through stream-hyporheic systems, and highlight the need to better understand how physical and chemical systems interact to control transport and fate in the environment.

The Chemical Aquatic Fate and Effects database (CAFE), a tool that supports assessments of chemical spills in aquatic environments.

PubMed

Bejarano, Adriana C; Farr, James K; Jenne, Polly; Chu, Valerie; Hielscher, Al

2016-06-01

The Chemical Aquatic Fate and Effects (CAFE) database is a centralized repository that allows for rapid and unrestricted access to data. Information in CAFE is integrated into a user-friendly tool with modules containing fate and effects data for 32 377 and 4498 chemicals, respectively. Toxicity data are summarized in the form of species sensitivity distributions (SSDs) with associated 1st and 5th percentile hazard concentrations (HCs). An assessment of data availability relative to reported chemical incidents showed that CAFE had fate and toxicity data for 32 and 20 chemicals, respectively, of 55 chemicals reported in the US National Response Center database (2000-2014), and fate and toxicity data for 86 and 103, respectively, of 205 chemicals reported by the National Oceanic and Atmospheric Administration (2003-2014). Modeled environmental concentrations of 2 hypothetical spills (acrylonitrile, 625 barrels; and denatured ethanol, 857 barrels) were used to demonstrate CAFE's practical application. Most species in the 24-h SSD could be potentially impacted by acrylonitrile and denatured ethanol during the first 35 min and 15 h post spill, respectively, with concentrations falling below their HC5s (17 mg/L and 2676 mg/L) at 45 min and 60 h post spill, respectively. Comparisons of CAFE-based versus published HC5 values for 100 chemicals showed that nearly half of values were within a 2-fold difference, with a relatively small number of comparisons exceeding a 10-fold difference. The development of CAFE facilitates access to relevant environmental information, with potential uses likely expanding beyond those related to assessment of spills in aquatic environments. Environ Toxicol Chem 2016;35:1576-1586. © 2015 SETAC. © 2015 SETAC.

Study of the photodegradation of a fragrance ingredient for aquatic environmental fate assessment.

PubMed

Lin, Jianming; Emberger, Matthew

2017-04-01

Photodegradation is an important abiotic degradation process to be taken into account for more accurate assessment of the fate of chemicals in the aquatic environment, especially those that are not readily biodegradable. Although the significant role of indirect photodegradation in the environmental fate of chemicals has been revealed in recent research, because of the many confounding factors affecting its kinetics, no straightforward approaches can be used to investigate this degradation process for environmental fate assessment. The indirect photodegradation of a fragrance ingredient named Pamplewood was studied in this work for its fate assessment. Indirect photodegradation rates under various indoor and outdoor conditions were measured by using an LC-MS method. Although the half-lives varied from 4 to 13 days, they collectively indicated that Pamplewood is intrinsically photolabile and can undergo rapid photodegradation. Results from quencher experiments revealed that ⋅OH was the main reactive intermediate responsible for indirect photodegradation, with a half-life of about 18 days in sunlit surface water, based on the experimentally determined second-order rate constant (8.48 ± 0.19 × 10 9  M -1  s -1 ). Photodegradation products of Pamplewood were also studied by GC-MS, LC-MS and total organic carbon content analyses. The results indicated that intermediates of Pamplewood photodegradation continued to photodegrade into smaller and more polar species. Complete mineralization of Pamplewood was observed when it was reacted with hydroxyl radicals in an aqueous solution. This novel approach can be applied for a more realistic environmental fate assessment of other non-readily biodegradable, hydrolysis-resistant, and non-sunlight-absorbing fragrance ingredients. Copyright © 2017 Elsevier Ltd. All rights reserved.

Environmental fate of hexabromocyclododecane from a new Canadian electronic recycling facility.

PubMed

Tomko, Geoffrey; McDonald, Karen M

2013-01-15

An electronics recycling facility began operation at the municipal landfill site for the City of Edmonton, Canada in March 2008 with the goal of processing 30,000 tonnes of electronic wastes per year. Of the many by-products from the process, brominated fire retardants such as hexabromocyclododecane (HBCD) can evolve off of e-wastes and be released into the environmental media. HBCD has been identified by many countries and international bodies as a chemical of concern because of its ability to bioaccumulate in the ecosystem. An evaluation of the potential emission of HBCD indicates that up to 500 kg per year may be released from a landfill and recycling facility such as that operating in Edmonton. A multimedia fugacity model was used to evaluate the dispersion and fate of atmospherically emitted HBCD traveling into surrounding agricultural land and forested parkland. The model indicates that the three isomers of HBCD partitioned into environmental media similarly. Much of the HBCD is lost through atmospheric advection, but it is also found in soil and sediment. Modeled air concentrations are similar to those measured at locations with a history of e-waste recycling. Since HBCD has been shown to bioaccumulate, the HBCD released from this source has the long-term potential to affect agricultural food crops and the park ecosystem. Copyright © 2012 Elsevier Ltd. All rights reserved.

THE FATE OF TRACE METALS IN A ROTARY KILN INCINERATOR WITH A VENTURI/PACKED COLUMN SCRUBBER - VOLUME I: TECHNICAL RESULTS

EPA Science Inventory

A five week series of pilot-scale incineration tests, using a synthetic waste feed, was performed at the Environmental Protection Agency's Incineration Research Facility to evaluate the fate of trace metals fed to a rotary kiln incinerator. Eight tests studied the fate of five ha...

Estimation of potential impacts and natural resource damages of oil.

PubMed

McCay, Deborah French; Rowe, Jill Jennings; Whittier, Nicole; Sankaranarayanan, Sankar; Etkin, Dagmar Schmidt

2004-02-27

Methods were developed to estimate the potential impacts and natural resource damages resulting from oil spills using probabilistic modeling techniques. The oil fates model uses wind data, current data, and transport and weathering algorithms to calculate mass balance of fuel components in various environmental compartments (water surface, shoreline, water column, atmosphere, sediments, etc.), oil pathway over time (trajectory), surface distribution, shoreline oiling, and concentrations of the fuel components in water and sediments. Exposure of aquatic habitats and organisms to whole oil and toxic components is estimated in the biological model, followed by estimation of resulting acute mortality and ecological losses. Natural resource damages are based on estimated costs to restore equivalent resources and/or ecological services, using Habitat Equivalency Analysis (HEA) and Resource Equivalency Analysis (REA) methods. Oil spill modeling was performed for two spill sites in central San Francisco Bay, three spill sizes (20th, 50th, and 95th percentile volumes from tankers and larger freight vessels, based on an analysis of likely spill volumes given a spill has occurred) and four oil types (gasoline, diesel, heavy fuel oil, and crude oil). The scenarios were run in stochastic mode to determine the frequency distribution, mean and standard deviation of fates, impacts, and damages. This work is significant as it demonstrates a statistically quantifiable method for estimating potential impacts and financial consequences that may be used in ecological risk assessment and cost-benefit analyses. The statistically-defined spill volumes and consequences provide an objective measure of the magnitude, range and variability of impacts to wildlife, aquatic organisms and shorelines for potential spills of four oil/fuel types, each having distinct environmental fates and effects.

Influence of pH on the Transport of Silver Nanoparticles in Saturated Porous Media: Laboratory Experiments and Modeling

EPA Science Inventory

Given the ubiquity of silver nanoparticles (AgNPs), the largest and fastest growing category of nanomaterials, and their potential for toxic effects to both humans and the environment, it is important to understand their environmental fate and transport. The purpose of this stud...

HNS-MS : Improving Member States preparedness to face an HNS pollution of the Marine System

NASA Astrophysics Data System (ADS)

Legrand, Sébastien; Le Floch, Stéphane; Aprin, Laurent; Partenay, Valérie; Donnay, Eric; Parmentier, Koen; Ovidio, Fabrice; Schallier, Ronny; Poncet, Florence; Chataing, Sophie; Poupon, Emmanuelle; Hellouvry, Yann-Hervé

2017-04-01

When dealing with a HNS pollution incident, one of the priority requirements is the identification of the hazard and an assessment of the risk posed to the public and responder safety, the environment and socioeconomic assets upon which a state or coastal community depend. The primary factors which determine the safety, environmental and socioeconomic impact of the released substance(s) relate to their physico-chemical properties and fate in the environment. Until now, preparedness actions at various levels have primarily aimed at classifying the general environmental or public health hazard of an HNS, or at performing a risk analysis of HNS transported in European marine regions. Operational datasheets have been (MIDSIS-TROCS) or are being (MAR-CIS) developed collating detailed, substance-specific information for responders and covering information needs at the first stage of an incident. However, contrary to oil pollution preparedness and response tools, only few decision-support tools used by Member State authorities (Coastguard agencies or other) integrate 3D models that are able to simulate the drift, fate and behaviour of HNS spills in the marine environment. When they do, they usually consider simplified or steady-state environmental conditions. As a significant step forward, a 'one-stop shop' integrated HNS decision-support system has been developed in the framework of the HNS-MS project. Focussing on the Bonn Agreement area, the system integrates 1. A database containing the physico-chemical parameters needed to compute the behaviour in the marine environment of 120 relevant HNS; 2. A digital atlas of the HNS environmental and socioeconomic vulnerability maps ; 3. A three dimensional HNS spill drift and fate model able to simulate HNS behaviour in the marine environment (including floaters, sinkers, evaporators and dissolvers). 4. A user-friendly web-based interface allowing Coastguard stations to launch a HNS drift simulation and visualize post-processed results in support of an incident evaluation and decision-making process. All these results will be further presented.

Understanding and Predicting the Fate of Semivolatile Organic Pesticides in a Glacier-Fed Lake Using a Multimedia Chemical Fate Model.

PubMed

Wu, Xiaolin; Davie-Martin, Cleo L; Steinlin, Christine; Hageman, Kimberly J; Cullen, Nicolas J; Bogdal, Christian

2017-10-17

Melting glaciers release previously ice-entrapped chemicals to the surrounding environment. As glacier melting accelerates under future climate warming, chemical release may also increase. This study investigated the behavior of semivolatile pesticides over the course of one year and predicted their behavior under two future climate change scenarios. Pesticides were quantified in air, lake water, glacial meltwater, and streamwater in the catchment of Lake Brewster, an alpine glacier-fed lake located in the Southern Alps of New Zealand. Two historic-use pesticides (endosulfan I and hexachlorobenzene) and three current-use pesticides (dacthal, triallate, and chlorpyrifos) were frequently found in both air and water samples from the catchment. Regression analysis indicated that the pesticide concentrations in glacial meltwater and lake water were strongly correlated. A multimedia environmental fate model was developed for these five chemicals in Brewster Lake. Modeling results indicated that seasonal lake ice cover melt, and varying contributions of input from glacial melt and streamwater, created pulses in pesticide concentrations in lake water. Under future climate scenarios, the concentration pulse was altered and glacial melt made a greater contribution (as mass flux) to pesticide input in the lake water.

Influential input classification in probabilistic multimedia models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maddalena, Randy L.; McKone, Thomas E.; Hsieh, Dennis P.H.

1999-05-01

Monte Carlo analysis is a statistical simulation method that is often used to assess and quantify the outcome variance in complex environmental fate and effects models. Total outcome variance of these models is a function of (1) the uncertainty and/or variability associated with each model input and (2) the sensitivity of the model outcome to changes in the inputs. To propagate variance through a model using Monte Carlo techniques, each variable must be assigned a probability distribution. The validity of these distributions directly influences the accuracy and reliability of the model outcome. To efficiently allocate resources for constructing distributions onemore » should first identify the most influential set of variables in the model. Although existing sensitivity and uncertainty analysis methods can provide a relative ranking of the importance of model inputs, they fail to identify the minimum set of stochastic inputs necessary to sufficiently characterize the outcome variance. In this paper, we describe and demonstrate a novel sensitivity/uncertainty analysis method for assessing the importance of each variable in a multimedia environmental fate model. Our analyses show that for a given scenario, a relatively small number of input variables influence the central tendency of the model and an even smaller set determines the shape of the outcome distribution. For each input, the level of influence depends on the scenario under consideration. This information is useful for developing site specific models and improving our understanding of the processes that have the greatest influence on the variance in outcomes from multimedia models.« less

Critical review: Copper runoff from outdoor copper surfaces at atmospheric conditions.

PubMed

Hedberg, Yolanda S; Hedberg, Jonas F; Herting, Gunilla; Goidanich, Sara; Odnevall Wallinder, Inger

2014-01-01

This review on copper runoff dispersed from unsheltered naturally patinated copper used for roofing and facades summarizes and discusses influencing factors, available literature, and predictive models, and the importance of fate and speciation for environmental risk assessment. Copper runoff from outdoor surfaces is predominantly governed by electrochemical and chemical reactions and is highly dependent on given exposure conditions (size, inclination, geometry, degree of sheltering, and orientation), surface parameters (age, patina composition, and thickness), and site-specific environmental conditions (gaseous pollutants, chlorides, rainfall characteristics (amount, intensity, pH), wind direction, temperature, time of wetness, season). The corrosion rate cannot be used to assess the runoff rate. The extent of released copper varies largely between different rain events and is related to dry and wet periods, dry deposition prior to the rain event and prevailing rain and patina characteristics. Interpretation and use of copper runoff data for environmental risk assessment and management need therefore to consider site-specific factors and focus on average data of long-term studies (several years). Risk assessments require furthermore that changes in copper speciation, bioavailability aspects, and potential irreversible retention on solid surfaces are considered, factors that determine the environmental fate of copper runoff from outdoor surfaces.

Modeling the fate and end-of-life phase of engineered nanomaterials in the Japanese construction sector.

PubMed

Suzuki, Shinya; Part, Florian; Matsufuji, Yasushi; Huber-Humer, Marion

2018-02-01

To date construction materials that contain engineered nanomaterials (ENMs) are available at the markets, but at the same time very little is known about their environmental fate. Therefore, this study aimed at modeling the potential fate of ENMs by using the example of the Japanese construction sector and by conducting a dynamic material flow analysis. Expert interviews and national reports revealed that about 3920-4660 tons of ENMs are annually used for construction materials in Japan. Nanoscale TiO 2 , SiO 2 , Al 2 O 3 and carbon black have already been applied for decades to wall paints, road markings or concrete. The dynamic material flow model indicates that in 2016 about 95% of ENMs, which have been used since their year of market penetration, remained in buildings, whereas only 5% ended up in the Japanese waste management system or were diffusely released into the environment. Considering the current Japanese waste management system, ENMs were predicted to end up in recycled materials (40-47%) or in landfills (36-41%). It was estimated that only a small proportion was used in agriculture (5-7%, as ENM-containing sewage sludges) or was diffusely released into soils, surface waters or the atmosphere (5-19%). The results indicate that ENM release predominantly depend on their specific applications and characteristics. The model also highlights the importance of adequate collection and treatment of ENM-containing wastes. In future, similar dynamic flow models for other countries should consider, inasmuch as available, historical data on ENM production (e.g. like declaration reports that are annually published by relevant public authorities or associations), as such input data is very important regarding data reliability in order to decrease uncertainties and to continuously improve model accuracy. In addition, more environmental monitoring studies that aim at the quantification of ENM release and inadvertent transfer, particularly triggered by waste treatment processes, would be needed in order to validate such models. Copyright © 2017 Elsevier Ltd. All rights reserved.

A statistical model for water quality predictions from a river discharge using coastal observations

NASA Astrophysics Data System (ADS)

Kim, S.; Terrill, E. J.

2007-12-01

Understanding and predicting coastal ocean water quality has benefits for reducing human health risks, protecting the environment, and improving local economies which depend on clean beaches. Continuous observations of coastal physical oceanography increase the understanding of the processes which control the fate and transport of a riverine plume which potentially contains high levels of contaminants from the upstream watershed. A data-driven model of the fate and transport of river plume water from the Tijuana River has been developed using surface current observations provided by a network of HF radar operated as part of a local coastal observatory that has been in place since 2002. The model outputs are compared with water quality sampling of shoreline indicator bacteria, and the skill of an alarm for low water quality is evaluated using the receiver operating characteristic (ROC) curve. In addition, statistical analysis of beach closures in comparison with environmental variables is also discussed.

Modelling the dispersion of treated wastewater in a shallow coastal wind-driven environment, Geographe Bay, Western Australia: implications for environmental management.

PubMed

Dunn, Ryan J K; Zigic, Sasha; Shiell, Glenn R

2014-10-01

Numerical models are useful for predicting the transport and fate of contaminants in dynamic marine environments, and are increasingly a practical solution to environmental impact assessments. In this study, a three-dimensional hydrodynamic model and field data were used to validate a far-field dispersion model that, in turn, was used to determine the fate of treated wastewater (TWW) discharged to the ocean via a submarine ocean outfall under hypothetical TWW flows. The models were validated with respect to bottom and surface water current speed and direction, and in situ measurements of total nitrogen and faecal coliforms. Variations in surface and bottom currents were accurately predicted by the model as were nutrient and coliform concentrations. Results indicated that the ocean circulation was predominately wind driven, evidenced by relatively small oscillations in the current speeds along the time-scale of the tide, and that dilution mixing zones were orientated in a predominantly north-eastern direction from the outfall and parallel to the coastline. Outputs of the model were used to determine the 'footprint' of the TWW plume under a differing discharge scenario and, particularly, whether the resultant changes in TWW contaminants, total nitrogen and faecal coliforms would meet local environmental quality objectives (EQO) for ecosystem integrity, shellfish harvesting and primary recreation. Modelling provided a practical solution for predicting the dilution of contaminants under a hypothetical discharge scenario and a means for determining the aerial extent of exclusion zones, where the EQOs for shellfish harvesting and primary recreation may not always be met. Results of this study add to the understanding of regional discharge conditions and provide a practical case study for managing impacts to marine environments under a differing TWW discharge scenario, in comparison to an existing scenario.

ENANTIOMER-SPECIFIC FATE AND EFFECTS OF MODERN CHIRAL PESTICIDES

EPA Science Inventory

This slide presentation presents enantiomer-specific fate and effects of modern chiral pesticides. The research areas presented were analytical separation of enantiomers; environmental occurrence of enantiomers; transformation rates and enantioselectivity; bioaccumulation; and e...

40 CFR 716.21 - Chemical specific reporting requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... bioconcentration, environmental fate studies on biodegradation, and health effects studies on pharmacokinetics... fate studies on hydrolysis and biodegradation and health effects studies on pharmacokinetics... on biodegradation and health effects studies on pharmacokinetics, subchronic toxicity, neurotoxicity...

40 CFR 716.21 - Chemical specific reporting requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... bioconcentration, environmental fate studies on biodegradation, and health effects studies on pharmacokinetics... fate studies on hydrolysis and biodegradation and health effects studies on pharmacokinetics... on biodegradation and health effects studies on pharmacokinetics, subchronic toxicity, neurotoxicity...

40 CFR 716.21 - Chemical specific reporting requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... bioconcentration, environmental fate studies on biodegradation, and health effects studies on pharmacokinetics... fate studies on hydrolysis and biodegradation and health effects studies on pharmacokinetics... on biodegradation and health effects studies on pharmacokinetics, subchronic toxicity, neurotoxicity...

40 CFR 716.21 - Chemical specific reporting requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... bioconcentration, environmental fate studies on biodegradation, and health effects studies on pharmacokinetics... fate studies on hydrolysis and biodegradation and health effects studies on pharmacokinetics... on biodegradation and health effects studies on pharmacokinetics, subchronic toxicity, neurotoxicity...

40 CFR 716.21 - Chemical specific reporting requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... bioconcentration, environmental fate studies on biodegradation, and health effects studies on pharmacokinetics... fate studies on hydrolysis and biodegradation and health effects studies on pharmacokinetics... on biodegradation and health effects studies on pharmacokinetics, subchronic toxicity, neurotoxicity...

Using gridded multimedia model to simulate spatial fate of Benzo[α]pyrene on regional scale.

PubMed

Liu, Shijie; Lu, Yonglong; Wang, Tieyu; Xie, Shuangwei; Jones, Kevin C; Sweetman, Andrew J

2014-02-01

Predicting the environmental multimedia fate is an essential step in the process of assessing the human exposure and health impacts of chemicals released into the environment. Multimedia fate models have been widely applied to calculate the fate and distribution of chemicals in the environment, which can serve as input to a human exposure model. In this study, a grid based multimedia fugacity model at regional scale was developed together with a case study modeling the fate and transfer of Benzo[α]pyrene (BaP) in Bohai coastal region, China. Based on the estimated emission and in-site survey in 2008, the BaP concentrations in air, vegetation, soil, fresh water, fresh water sediment and coastal water as well as the transfer fluxes were derived under the steady-state assumption. The model results were validated through comparison between the measured and modeled concentrations of BaP. The model results indicated that the predicted concentrations of BaP in air, fresh water, soil and sediment generally agreed with field observations. Model predictions suggest that soil was the dominant sink of BaP in terrestrial systems. Flow from air to soil, vegetation and costal water were three major pathways of BaP inter-media transport processes. Most of the BaP entering the sea was transferred by air flow, which was also the crucial driving force in the spatial distribution processes of BaP. The Yellow River, Liaohe River and Daliao River played an important role in the spatial transformation processes of BaP. Compared with advection outflow, degradation was more important in removal processes of BaP. Sensitivities of the model estimates to input parameters were tested. The result showed that emission rates, compartment dimensions, transport velocity and degradation rates of BaP were the most influential parameters for the model output. Monte Carlo simulation was carried out to determine parameter uncertainty, from which the coefficients of variation for the estimated BaP concentrations in air and soil were computed, which were 0.46 and 1.53, respectively. The model output-concentrations of BaP in multimedia environment can be used in human exposure and risk assessment in the Bohai coastal region. The results also provide significant indicators on the likely dominant fate, influence range of emission and transport processes determining behavior of BaP in the Bohai coastal region, which is instrumental in human exposure and risk assessment in the region. © 2013.

Comparison of three pesticide fate models based on lysimeter data of chloridazon and s-metolachlor from the Wagna test site, Austria

NASA Astrophysics Data System (ADS)

Brückner, Lisa; Klammler, Gernot; Schuhmann, Andrea; Kupfersberger, Hans; Fank, Johann

2017-04-01

A lysimeter experiment was conducted at the agricultural test site in Wagna, Austria, where clayey-sandy cambisol are predominant. The pesticides chloridazon and s-metolachlor were applied between 2010 and 2014 and the concentration of the active ingredients and their metabolites were measured regularly in the soil and the leachate in different depths (Schuhmann et al. 2016). During the lysimeter experiment maize, pumpkin and triticale were cultivated, which are the main field crops in that region. Beside this data, precise measurements of the soil hydrology parameters as well as meteorological data are available. Average annual precipitation at this site is 972 mm, mean annual groundwater recharge is 358 mm (2005-2014). Based on this data and the different breakthrough curves a comparison of the three different pesticide fate models PEARL, PELMO and MACRO is carried out for the pesticides s-metolachlor and chloridazon and their metabolites metolachlor oxanilic acid, metolachlor ethane sulfonic acid, desphenyl-chloridazon and methyl-desphenyl-chloridazon. The results of the modeling of the water movement and pesticide fate are evaluated and discussed. This work will contribute to a better understanding of the performance of this pesticide fate models for the above mentioned soil and hydrologic conditions. Schuhmann, A; Gans, O; Weiss, S; Fank, J; Klammler, G; Haberhauer, G; Gerzabek, MH (2016): A long-term lysimeter experiment to investigate the environmental dispersion of the herbicide chloridazon and its metabolites - comparison of lysimeter types. J SOIL SEDIMENT. 2016; 16(3): 1032-1045

Physical-chemical properties and evaluative fate modelling of 'emerging' and 'novel' brominated and organophosphorus flame retardants in the indoor and outdoor environment.

PubMed

Liagkouridis, Ioannis; Cousins, Anna Palm; Cousins, Ian T

2015-08-15

Several groups of flame retardants (FRs) have entered the market in recent years as replacements for polybrominated diphenyl ethers (PBDEs), but little is known about their physical-chemical properties or their environmental transport and fate. Here we make best estimates of the physical-chemical properties and undertake evaluative modelling assessments (indoors and outdoors) for 35 so-called 'novel' and 'emerging' brominated flame retardants (BFRs) and 22 organophosphorus flame retardants (OPFRs). A QSPR (Quantitative Structure-Property Relationship) based technique is used to reduce uncertainty in physical-chemical properties and to aid property selection for modelling, but it is evident that more, high quality property data are required for improving future assessments. Evaluative modelling results show that many of the alternative FRs, mainly alternative BFRs and some of the halogenated OPFRs, behave similarly to the PBDEs both indoors and outdoors. These alternative FRs exhibit high overall persistence (Pov), long-range transport potential (LRTP) and POP-like behaviour and on that basis cannot be regarded as suitable replacements to PBDEs. A group of low molecular weight alternative BFRs and non-halogenated OPFRs show a potentially better environmental performance based on Pov and LRTP metrics. Results must be interpreted with caution though since there are significant uncertainties and limited data to allow for thorough model evaluation. Additional environmental parameters such as toxicity and bioaccumulative potential as well as functionality issues should be considered in an industrial substitution strategy. Copyright © 2015 Elsevier B.V. All rights reserved.

Development of a risk-based environmental management tool for drilling discharges. Summary of a four-year project.

PubMed

Singsaas, Ivar; Rye, Henrik; Frost, Tone Karin; Smit, Mathijs G D; Garpestad, Eimund; Skare, Ingvild; Bakke, Knut; Veiga, Leticia Falcao; Buffagni, Melania; Follum, Odd-Arne; Johnsen, Ståle; Moltu, Ulf-Einar; Reed, Mark

2008-04-01

This paper briefly summarizes the ERMS project and presents the developed model by showing results from environmental fates and risk calculations of a discharge from offshore drilling operations. The developed model calculates environmental risks for the water column and sediments resulting from exposure to toxic stressors (e.g., chemicals) and nontoxic stressors (e.g., suspended particles, sediment burial). The approach is based on existing risk assessment techniques described in the European Union technical guidance document on risk assessment and species sensitivity distributions. The model calculates an environmental impact factor, which characterizes the overall potential impact on the marine environment in terms of potentially impacted water volume and sediment area. The ERMS project started in 2003 and was finalized in 2007. In total, 28 scientific reports and 9 scientific papers have been delivered from the ERMS project (http://www.sintef.no/erms).

[Environmental behavior of graphene and its effect on the transport and fate of pollutants in environment].

PubMed

Ren, Wen-Jie; Teng, Ying

2014-09-01

Graphene is one of the most popular research topics in carbon nanomaterials. Because of its special physical and chemical properties, graphene will have wide applications. As the production and application amount is increasing, graphene will be inevitably released to the environment, resulting in risks of ecological environment and human health. It is of very vital significance for evaluating environmental risks of graphene scientifically and objectively to understand its environmental behavior and fate and explore its effect on the environmental behaviors of pollutants. This paper reviewed the environmental behavior of graphene, such as colloid properties and its stability in the aqueous environment and its transport through porous media. Additionally, the paper reviewed the effect of graphene on the transport and fate of pollutants. The interactions between graphene and heavy metals or organic compounds were especially discussed. Important topics should be explored including sorption mechanisms, interactions between graphene and soil components, influence of graphene on the transport and bioavailability of pollutants in environment, as well as approaches to quantifying graphene. The review might identify potential new ideas for further research in applications of graphene.

Power-Law Modeling of Cancer Cell Fates Driven by Signaling Data to Reveal Drug Effects

PubMed Central

Zhang, Fan; Wu, Min; Kwoh, Chee Keong; Zheng, Jie

2016-01-01

Extracellular signals are captured and transmitted by signaling proteins inside a cell. An important type of cellular responses to the signals is the cell fate decision, e.g., apoptosis. However, the underlying mechanisms of cell fate regulation are still unclear, thus comprehensive and detailed kinetic models are not yet available. Alternatively, data-driven models are promising to bridge signaling data with the phenotypic measurements of cell fates. The traditional linear model for data-driven modeling of signaling pathways has its limitations because it assumes that the a cell fate is proportional to the activities of signaling proteins, which is unlikely in the complex biological systems. Therefore, we propose a power-law model to relate the activities of all the measured signaling proteins to the probabilities of cell fates. In our experiments, we compared our nonlinear power-law model with the linear model on three cancer datasets with phosphoproteomics and cell fate measurements, which demonstrated that the nonlinear model has superior performance on cell fates prediction. By in silico simulation of virtual protein knock-down, the proposed model is able to reveal drug effects which can complement traditional approaches such as binding affinity analysis. Moreover, our model is able to capture cell line specific information to distinguish one cell line from another in cell fate prediction. Our results show that the power-law data-driven model is able to perform better in cell fate prediction and provide more insights into the signaling pathways for cancer cell fates than the linear model. PMID:27764199

Novel Transformations of Trenbolone Acetate Metabolites Suggest Incomplete Environmental Risk Assessment for Trenbolone

NASA Astrophysics Data System (ADS)

Kolodziej, E. P.; Jones, G.; Cwiertny, D. M.; Qu, S.

2013-12-01

In general, the existing regulatory and risk assessment paradigm for veterinary pharmaceuticals and other potential environmental contaminants is relatively simplistic as it equates contaminant degradation with significant reduction in associated ecological risk. However, it is becoming clear that there exist a number of environmental contaminants whose behaviors in the environment confound this assessment paradigm and whose environmental risk cannot be accurately assessed by laboratory studies demonstrating degradation or attenuation of compound concentrations in model environmental systems. For example, trenbolone acetate (TBA) is an androgenic growth promoting steroid used widely in animal agriculture in the United States, with the vast majority of U.S. beef cattle receiving TBA implants. Despite their significant economic value ( $1 billion annually), TBA metabolites can be potent endocrine disrupting compounds for sensitive species of aquatic organisms, capable of endocrine disruption at low ng/L concentrations. TBA metabolites are often considered rather reactive and prone to degradation, and risk assessment studies specifically point to their rapid degradation as evidence for limited ecological risks. However, we have recently demonstrated a most unexpected observation for TBA metabolite fate in environmental systems: namely that product-to-parent reversion is possible for certain TBA metabolites. Also, a variety of structural analogs and stereoisomers can arise from environmental transformation processes of TBA metabolites, potentially yielding a range of uncharacterized steroid structures capable of receptor interactions. None of these possibilities are accounted for in current risk assessment approaches for trenbolone or any other veterinary pharmaceutical. These observations confound most all current environmental risk assessment and contaminant fate models, and therefore improving our approach to environmental risk assessment needs to specifically account for these possibilities. The implications of this data suggest that improved environmental risk assessment should include a more complete characterization of transformation products and identification of possible non-target receptor interactions as part of exposure assessment process.

Fate of Volatile Organic Compounds in Constructed Wastewater Treatment Wetlands

USGS Publications Warehouse

Keefe, S.H.; Barber, L.B.; Runkel, R.L.; Ryan, J.N.

2004-01-01

The fate of volatile organic compounds was evaluated in a wastewater-dependent constructed wetland near Phoenix, AZ, using field measurements and solute transport modeling. Numerically based volatilization rates were determined using inverse modeling techniques and hydraulic parameters established by sodium bromide tracer experiments. Theoretical volatilization rates were calculated from the two-film method incorporating physicochemical properties and environmental conditions. Additional analyses were conducted using graphically determined volatilization rates based on field measurements. Transport (with first-order removal) simulations were performed using a range of volatilization rates and were evaluated with respect to field concentrations. The inverse and two-film reactive transport simulations demonstrated excellent agreement with measured concentrations for 1,4-dichlorobenzene, tetrachloroethene, dichloromethane, and trichloromethane and fair agreement for dibromochloromethane, bromo-dichloromethane, and toluene. Wetland removal efficiencies from inlet to outlet ranged from 63% to 87% for target compounds.

Re-evaluation of the sorption behaviour of Bromide and Sulfamethazine under field conditions using leaching data and modelling methods

NASA Astrophysics Data System (ADS)

Gassmann, Matthias; Olsson, Oliver; Höper, Heinrich; Hamscher, Gerd; Kümmerer, Klaus

2016-04-01

The simulation of reactive transport in the aquatic environment is hampered by the ambiguity of environmental fate process conceptualizations for a specific substance in the literature. Concepts are usually identified by experimental studies and inverse modelling under controlled lab conditions in order to reduce environmental uncertainties such as uncertain boundary conditions and input data. However, since environmental conditions affect substance behaviour, a re-evaluation might be necessary under environmental conditions which might, in turn, be affected by uncertainties. Using a combination of experimental data and simulations of the leaching behaviour of the veterinary antibiotic Sulfamethazine (SMZ; synonym: sulfadimidine) and the hydrological tracer Bromide (Br) in a field lysimeter, we re-evaluated the sorption concepts of both substances under uncertain field conditions. Sampling data of a field lysimeter experiment in which both substances were applied twice a year with manure and sampled at the bottom of two lysimeters during three subsequent years was used for model set-up and evaluation. The total amount of leached SMZ and Br were 22 μg and 129 mg, respectively. A reactive transport model was parameterized to the conditions of the two lysimeters filled with monoliths (depth 2 m, area 1 m²) of a sandy soil showing a low pH value under which Bromide is sorptive. We used different sorption concepts such as constant and organic-carbon dependent sorption coefficients and instantaneous and kinetic sorption equilibrium. Combining the sorption concepts resulted in four scenarios per substance with different equations for sorption equilibrium and sorption kinetics. The GLUE (Generalized Likelihood Uncertainty Estimation) method was applied to each scenario using parameter ranges found in experimental and modelling studies. The parameter spaces for each scenario were sampled using a Latin Hypercube method which was refined around local model efficiency maxima. Results of the cumulative SMZ leaching simulations suggest a best conceptualization combination of instantaneous sorption to organic carbon which is consistent with the literature. The best Nash-Sutcliffe efficiency (Neff) was 0.96 and the 5th and 95th percentile of the uncertainty estimation were 18 and 27 μg. In contrast, both scenarios of kinetic Br sorption had similar results (Neff =0.99, uncertainty bounds 110-176 mg and 112-176 mg) but were clearly better than instantaneous sorption scenarios. Therefore, only the concept of sorption kinetics could be identified for Br modelling whereas both tested sorption equilibrium coefficient concepts performed equally well. The reasons for this specific case of equifinality may be uncertainties of model input data under field conditions or an insensitivity of the sorption equilibrium method due to relatively low adsorption of Br. Our results show that it may be possible to identify or at least falsify specific sorption concepts under uncertain field conditions using a long-term leaching experiment and modelling methods. Cases of environmental fate concept equifinality arouse the possibility of future model structure uncertainty analysis using an ensemble of models with different environmental fate concepts.

Climate-based archetypes for the environmental fate assessment of chemicals.

PubMed

Ciuffo, Biagio; Sala, Serenella

2013-11-15

Emissions of chemicals have been on the rise for years, and their impacts are greatly influenced by spatial differentiation. Chemicals are usually emitted locally but their impact can be felt both locally and globally, due to their chemical properties and persistence. The variability of environmental parameters in the emission compartment may affect the chemicals' fate and the exposure at different orders of magnitude. The assessment of the environmental fate of chemicals and the inherent spatial differentiation requires the use of multimedia models at various levels of complexity (from a simple box model to complex computational and high-spatial-resolution models). The objective of these models is to support ecological and human health risk assessment, by reducing the uncertainty of chemical impact assessments. The parameterisation of spatially resolved multimedia models is usually based on scenarios of evaluative environments, or on geographical resolutions related to administrative boundaries (e.g. countries/continents) or landscape areas (e.g. watersheds, eco-regions). The choice of the most appropriate scale and scenario is important from a management perspective, as a balance should be reached between a simplified approach and computationally intensive multimedia models. In this paper, which aims to go beyond the more traditional approach based on scale/resolution (cell, country, and basin), we propose and assess climate-based archetypes for the impact assessment of chemicals released in air. We define the archetypes based on the main drivers of spatial variability, which we systematically identify by adopting global sensitivity analysis techniques. A case study that uses the high resolution multimedia model MAPPE (Multimedia Assessment of Pollutant Pathways in the Environment) is presented. Results of the analysis showed that suitable archetypes should be both climate- and chemical-specific, as different chemicals (or groups of them) have different traits that influence their spatial variability. This hypothesis was tested by comparing the variability of the output of MAPPE for four different climatic zones on four different continents for four different chemicals (which represent different combinations of physical and chemical properties). Results showed the high suitability of climate-based archetypes in assessing the impacts of chemicals released in air. However, further research work is still necessary to test these findings. Copyright © 2013 Elsevier Ltd. All rights reserved.

Retention and Migration of Chlorpyrifos in Aquatic Sediments and Soils

NASA Astrophysics Data System (ADS)

Gebremariam, S. Y.; Beutel, M.; Yonge, D.; Flury, M.; Harsh, J. B.

2010-12-01

The accurate description of the fate and transport of potentially toxic agricultural pesticides in sediments and soils is of great interest to environmental scientists and regulators. Of particular concern is the widely documented detection of agricultural pesticides and their byproducts in drinking water wells. This presentation discusses results of a study of the fate and transport of chlorpyrifos, a strongly hydrophobic organophosphate-pesticide, in sediments and soils collected from a range of aquatic environments. Using radio-labeled chlorpyrifos, this study is unique in its comprehensive nature and focus on aquatic sediments, for which studies involving pesticide fate and transport are limited. Study components include: (1) batch equilibrium experiments to evaluate sorption/desorption parameters; (2) kinetic and non-equilibrium sorption experiments using miniaturized flow-cells; (3) column experiments to understand patterns of pesticide break through; and (4) numerical modeling of chlorpyrifos transport through aquatic sediments and soils. Initial results show that chlorpyrifos sorption, when corrected for reversible sorption to container walls, exhibited two component sorption, a large irreversible fraction and a smaller reversible fraction that can act as a secondary source. In addition, of a wide range of soil parameters measured, organic carbon content exhibited the highest correlation with chlorpyrifos retention in cranberry field soils. Simulation models developed in this study, which account for hysteretic and nonlinear sorption, will help to better predict the fate of chlorpyrifos and other hydrophobic chemicals in sediments and soils.

Transport of sulfacetamide and levofloxacin in granular porous media under various conditions: Experimental observations and model simulations.

PubMed

Dong, Shunan; Gao, Bin; Sun, Yuanyuan; Shi, Xiaoqing; Xu, Hongxia; Wu, Jianfeng; Wu, Jichun

2016-12-15

Understanding the fate and transport of antibiotics in porous media can help reduce their contamination risks to soil and groundwater systems. In this work, batch and column experiments were conducted to determine the interactions between two representative antibiotics, sulfacetamide (SA) and levofloxacin (LEV), and sand porous media under various solution pH, humic acid (HA) concentration, grain size, and moisture content conditions. Batch sorption experimental results indicated that the sand had relatively strong bonding affinity to LEV, but little sorption of SA under different pH, HA concentration, grain size conditions. Results from the packed sand column experiments showed that SA had extremely high mobility in the porous media for all combinations of pH, HA concentration, grain size, and moisture content. The mass recovery of SA was higher than 98.5% in all the columns with the exception of the one packed with fine sand (97.2%). The retention of LEV in the columns was much higher and the recovery rates ranged from 0% to 71.1%. Decreases in solution pH, HA concentration, grain size, or moisture content reduced the mobility of LEV in the columns under the tested conditions. These results indicated that type of antibiotics and environmental conditions also played an important role in controlling their fate and transport in porous media. Mathematical models were applied to simulate and interpret experimental data, and model simulations described the interactions between the two antibiotics and sand porous media very well. Findings from this study elucidated the key factors and processes controlling the fate of SA and LEV in porous media, which can inform the prediction and assessment of the environmental risks of antibiotics. Copyright © 2016 Elsevier B.V. All rights reserved.

New insight into pesticide partition coefficient Kd for modelling pesticide fluvial transport: application to an agricultural catchment in south-western France.

PubMed

Boithias, Laurie; Sauvage, Sabine; Merlina, Georges; Jean, Séverine; Probst, Jean-Luc; Sánchez Pérez, José Miguel

2014-03-01

Pesticides applied on crops are leached with rainfall to groundwater and surface water. They threat the aquatic environment and may render water unfit for human consumption. Pesticide partitioning is one of the pesticide fate processes in the environment that should be properly formalised in pesticide fate models. Based on the analysis of 7 pesticide molecules (alachlor, atrazine, atrazine's transformation product deethylatrazine or DEA, isoproturon, tebuconazole and trifluralin) sampled from July 2009 to October 2010 at the outlet of the river Save (south-western France), the objectives of this study were (1) to check which of the environmental factors (discharge, pH, concentrations of total suspended matter (TSM), dissolved organic carbon (DOC) and particulate organic carbon (POC) could control the pesticide sorption dynamic, and (2) to establish a relationship between environmental factors, the partition coefficient Kd and the octanol/water distribution coefficient Kow. The comparison of physico-chemical parameters values during low flow and high flow shows that discharge, TSM and POC are the factors most likely controlling the pesticide sorption processes in the Save river network, especially for lower values of TSM (below 13mgL(-1)). We therefore express Kd depending on the widely literature-related variable Kow and on the commonly simulated variable TSM concentration. The equation can be implemented in any model describing the fluvial transport and fate of pesticides in both dissolved and sorbed phases, thus, Kd becomes a variable in time and space. The Kd calculation method can be applied to a wide range of catchments and organic contaminants. Copyright © 2013 Elsevier Ltd. All rights reserved.

OPERA models for predicting physicochemical properties and environmental fate endpoints.

PubMed

Mansouri, Kamel; Grulke, Chris M; Judson, Richard S; Williams, Antony J

2018-03-08

The collection of chemical structure information and associated experimental data for quantitative structure-activity/property relationship (QSAR/QSPR) modeling is facilitated by an increasing number of public databases containing large amounts of useful data. However, the performance of QSAR models highly depends on the quality of the data and modeling methodology used. This study aims to develop robust QSAR/QSPR models for chemical properties of environmental interest that can be used for regulatory purposes. This study primarily uses data from the publicly available PHYSPROP database consisting of a set of 13 common physicochemical and environmental fate properties. These datasets have undergone extensive curation using an automated workflow to select only high-quality data, and the chemical structures were standardized prior to calculation of the molecular descriptors. The modeling procedure was developed based on the five Organization for Economic Cooperation and Development (OECD) principles for QSAR models. A weighted k-nearest neighbor approach was adopted using a minimum number of required descriptors calculated using PaDEL, an open-source software. The genetic algorithms selected only the most pertinent and mechanistically interpretable descriptors (2-15, with an average of 11 descriptors). The sizes of the modeled datasets varied from 150 chemicals for biodegradability half-life to 14,050 chemicals for logP, with an average of 3222 chemicals across all endpoints. The optimal models were built on randomly selected training sets (75%) and validated using fivefold cross-validation (CV) and test sets (25%). The CV Q 2 of the models varied from 0.72 to 0.95, with an average of 0.86 and an R 2 test value from 0.71 to 0.96, with an average of 0.82. Modeling and performance details are described in QSAR model reporting format and were validated by the European Commission's Joint Research Center to be OECD compliant. All models are freely available as an open-source, command-line application called OPEn structure-activity/property Relationship App (OPERA). OPERA models were applied to more than 750,000 chemicals to produce freely available predicted data on the U.S. Environmental Protection Agency's CompTox Chemistry Dashboard.

Prioritization of Louisiana Parishes based on Industrial Releases of Known or Suspected Carcinogens.

PubMed

Katner, Adrienne

2015-01-01

This investigation evaluated the geographic distribution of carcinogen releases by Louisiana industries to prioritize areas for regulatory oversight, research and monitoring, and to promote clinician awareness and vigilance. Data on estimated industry releases for the period between 1996 and 2011 were obtained from the US Environmental Protection Agency's Toxics Release Inventory. Chemicals associated with cancers of the prostate, lung, bladder, kidney, breast and non-Hodgkin lymphoma were identified. The Risk Screening Environmental Indicators model was used to derive measures or model scores based on chemical toxicity, fate and transport, and population characteristics. Parishes, chemicals, industries and media generating the highest model scores were identified. Parishes with the highest model scores were East Baton Rouge, Calcasieu, Caddo and St. John the Baptist. Clinicians should carefully monitor cancer cases in these areas, and if patients reside near or work in industry, an occupational and environmental history should be considered.

Potential environmental implications of nanoscale zero-valent iron particles for environmental remediation.

PubMed

Jang, Min-Hee; Lim, Myunghee; Hwang, Yu Sik

2014-01-01

Nanoscale zero-valent iron (nZVI) particles are widely used in the field of various environmental contaminant remediation. Although the potential benefits of nZVI are considerable, there is a distinct need to identify any potential risks after environmental exposure. In this respect, we review recent studies on the environmental applications and implications of nZVI, highlighting research gaps and suggesting future research directions. Environmental application of nZVI is briefly summarized, focusing on its unique properties. Ecotoxicity of nZVI is reviewed according to type of organism, including bacteria, terrestrial organisms, and aquatic organisms. The environmental fate and transport of nZVI are also summarized with regards to exposure scenarios. Finally, the current limitations of risk determination are thoroughly provided. The ecotoxicity of nZVI depends on the composition, concentration, size and surface properties of the nanoparticles and the experimental method used, including the species investigated. In addition, the environmental fate and transport of nZVI appear to be complex and depend on the exposure duration and the exposure conditions. To date, field-scale data are limited and only short-term studies using simple exposure methods have been conducted. In this regard, the primary focus of future study should be on 1) the development of an appropriate and valid testing method of the environmental fate and ecotoxicity of reactive nanoparticles used in environmental applications and 2) assessing their potential environmental risks using in situ field scale applications.

Potential environmental implications of nanoscale zero-valent iron particles for environmental remediation

PubMed Central

Jang, Min-Hee; Lim, Myunghee; Hwang, Yu Sik

2014-01-01

Objectives Nanoscale zero-valent iron (nZVI) particles are widely used in the field of various environmental contaminant remediation. Although the potential benefits of nZVI are considerable, there is a distinct need to identify any potential risks after environmental exposure. In this respect, we review recent studies on the environmental applications and implications of nZVI, highlighting research gaps and suggesting future research directions. Methods Environmental application of nZVI is briefly summarized, focusing on its unique properties. Ecotoxicity of nZVI is reviewed according to type of organism, including bacteria, terrestrial organisms, and aquatic organisms. The environmental fate and transport of nZVI are also summarized with regards to exposure scenarios. Finally, the current limitations of risk determination are thoroughly provided. Results The ecotoxicity of nZVI depends on the composition, concentration, size and surface properties of the nanoparticles and the experimental method used, including the species investigated. In addition, the environmental fate and transport of nZVI appear to be complex and depend on the exposure duration and the exposure conditions. To date, field-scale data are limited and only short-term studies using simple exposure methods have been conducted. Conclusions In this regard, the primary focus of future study should be on 1) the development of an appropriate and valid testing method of the environmental fate and ecotoxicity of reactive nanoparticles used in environmental applications and 2) assessing their potential environmental risks using in situ field scale applications. PMID:25518840

Metals fate and transport modelling in streams and watersheds: state of the science and USEPA workshop review

USGS Publications Warehouse

Caruso, B.S.; Cox, T.J.; Runkel, Robert L.; Velleux, M.L.; Bencala, Kenneth E.; Nordstrom, D. Kirk; Julien, P.Y.; Butler, B.A.; Alpers, Charles N.; Marion, A.; Smith, Kathleen S.

2008-01-01

Metals pollution in surface waters from point and non-point sources (NPS) is a widespread problem in the United States and worldwide (Lofts et al., 2007; USEPA, 2007). In the western United States, metals associated with acid mine drainage (AMD) from hardrock mines in mountainous areas impact aquatic ecosystems and human health (USEPA, 1997a; Caruso and Ward, 1998; Church et al., 2007). Metals fate and transport modelling in streams and watersheds is sometimes needed for assessment and restoration of surface waters, including mining-impacted streams (Runkel and Kimball, 2002; Caruso, 2003; Velleux et al., 2006). The Water Quality Analysis Simulation Program (WASP; Wool et al., 2001), developed by the US Environmental Protection Agency (USEPA), is an example of a model used for such analyses. Other approaches exist and appropriate model selection depends on site characteristics, data availability and modelling objectives. However, there are a wide range of assumptions, input parameters, data requirements and gaps, and calibration and validation issues that must be addressed by model developers, users and decision makers. Despite substantial work on model development, their successful application has been more limited because they are not often used by decision makers for stream and watershed assessment and restoration. Bringing together scientists, model developers, users and decision makers should stimulate the development of appropriate models and improve the applicability of their results. To address these issues, the USEPA Office of Research and Development and Region 8 (Colorado, Montana, North Dakota, South Dakota, Utah and Wyoming) hosted a workshop in Denver, Colorado on February 13–14, 2007. The workshop brought together approximately 35 experts from government, academia and consulting to address the state of the art for modelling metals fate and transport, knowledge gaps and future directions in metals modelling. It focused on modelling metals in high-altitude streams, rivers and watersheds impacted by mine waste that are common in the western United States and require remediation. For example, there are over 100 000 abandoned or inactive mining sites across the United States, encompassing over 500 000 acres of land that may eventually require characterization and remediation, including the possible application of stream or watershed metals fate and transport modelling (USEPA, 1997a). This article provides a general overview of the state of the science on modelling metals fate and transport in streams and watersheds, including a review of presentations and discussions at the USEPA workshop. It builds on previous summaries of metals fate and transport models in aquatic systems, including USEPA (1997b, 2007), Allen (2002), Paquin et al. (2003), Nordstrom (2004) and Maest et al. (2005).

Heterogeneity of soil organic matter composition and its fate across ecosystem boundaries, or does it all come out in the wash?

NASA Astrophysics Data System (ADS)

Marin-Spiotta, E.; Berhe, A. A.; Barnes, R.

2015-12-01

A grand challenge in our understanding of the global carbon cycle is the vulnerability of large organic carbon pools at the land-water interface to changes in climate and to landscape disturbance. The expectation that terrestrial organic matter (OM) should be dominated by lignified (aromatic) plant-derived material or nitrogen-poor, complex soil OM with old radiocarbon ages has contributed to predictions of low bioavailability or chemical recalcitrance for terrigenous OM. Recent shifts in our understanding of the source of OM in soils and the mechanisms contributing to its persistence or loss have refocused attention on environmental parameters influencing the fate of OM and its role as a source of C to the atmosphere. On land, climate, soil mineralogy, topography, drainage, vegetation, disturbance (e.g., fire) and human land use influence the quantity and biochemical composition of organic matter accumulating in soils and available for lateral transfer to aquatic systems in dissolved or particulate form. Growing research indicates that local site conditions and disturbance history are important for predicting the response of soil OM to environmental change, often more so than OM chemical composition, contradicting traditional models that tie reactivity to structure. Soils are a large source of C entering waterways, yet how much landscape heterogeneity within the watershed matters for understanding the fate of C downstream is unknown: does all this heterogeneity come out in the wash? Here we follow up on recent discussions about environmental controls on the composition and age of OM in soil, what type and age of C is mobilized during landscape disturbance, and how its source on land can help predict its fate downstream. To further improve understanding of how landscape alterations affect transfers from land to water and fill some of the gaps in the global C cycle, we identify areas of research where collaborations between aquatic and terrestrial scientists would be especially fruitful.

Development of a numerical model for calculating exposure to toxic and nontoxic stressors in the water column and sediment from drilling discharges.

PubMed

Rye, Henrik; Reed, Mark; Frost, Tone Karin; Smit, Mathijs G D; Durgut, Ismail; Johansen, Øistein; Ditlevsen, May Kristin

2008-04-01

Drilling discharges are complex mixtures of chemical components and particles which might lead to toxic and nontoxic stress in the environment. In order to be able to evaluate the potential environmental consequences of such discharges in the water column and in sediments, a numerical model was developed. The model includes water column stratification, ocean currents and turbulence, natural burial, bioturbation, and biodegradation of organic matter in the sediment. Accounting for these processes, the fate of the discharge is modeled for the water column, including near-field mixing and plume motion, far-field mixing, and transport. The fate of the discharge is also modeled for the sediment, including sea floor deposition, and mixing due to bioturbation. Formulas are provided for the calculation of suspended matter and chemical concentrations in the water column, and burial, change in grain size, oxygen depletion, and chemical concentrations in the sediment. The model is fully 3-dimensional and time dependent. It uses a Lagrangian approach for the water column based on moving particles that represent the properties of the release and an Eulerian approach for the sediment based on calculation of the properties of matter in a grid. The model will be used to calculate the environmental risk, both in the water column and in sediments, from drilling discharges. It can serve as a tool to define risk mitigating measures, and as such it provides guidance towards the "zero harm" goal.

National, holistic, watershed-scale approach to understand the sources, transport, and fate of agricultural chemicals

USGS Publications Warehouse

Capel, P.D.; McCarthy, K.A.; Barbash, J.E.

2008-01-01

This paper is an introduction to the following series of papers that report on in-depth investigations that have been conducted at five agricultural study areas across the United States in order to gain insights into how environmental processes and agricultural practices interact to determine the transport and fate of agricultural chemicals in the environment. These are the first study areas in an ongoing national study. The study areas were selected, based on the combination of cropping patterns and hydrologic setting, as representative of nationally important agricultural settings to form a basis for extrapolation to unstudied areas. The holistic, watershed-scale study design that involves multiple environmental compartments and that employs both field observations and simulation modeling is presented. This paper introduces the overall study design and presents an overview of the hydrology of the five study areas. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

What determines PCB concentrations in soils in rural and urban areas? Insights from a multi-media fate model for Switzerland as a case study.

PubMed

Glüge, Juliane; Bogdal, Christian; Scheringer, Martin; Hungerbühler, Konrad

2016-04-15

Polychlorinated biphenyls (PCBs) are banned worldwide under the Stockholm Convention on Persistent Organic Pollutants. However, PCBs are still emitted in appreciable amounts from remaining primary sources in urban areas or landfills and are ubiquitous environmental contaminants, inter alia in soil and air. Concentrations of PCBs have been measured in various media by numerous studies worldwide. However, monitoring data do not always provide quantitative information about transport processes between different media, deposition fluxes to ground, or distribution of PCBs between environmental compartments. Also future trends in environmental contamination by PCBs cannot be predicted from monitoring data, but such information is highly relevant for decision-makers. Here, we present a new regionally resolved dynamic multimedia mass balance model for Switzerland to investigate the origin of PCBs in air and to investigate their long-term fate and mass balance in the environment. The model was validated with existing field data for PCBs. We find that advective inflow of PCBs from outside Switzerland into the atmospheric boundary layer is responsible for 80% of PCBs present in air in Switzerland, whereas Swiss emissions cause the remaining 20%. Furthermore, we show that the atmospheric deposition of the higher-chlorinated PCBs is dominated by particle-bound deposition, whereas the deposition of the lower-chlorinated PCBs is a combination of particle-bound and gaseous deposition. The volume fraction of particles in air is in both cases an important factor driving the deposition of PCBs to ground and, thus, contributing to the higher concentrations of PCBs generally observed in populated and polluted areas. Regional emissions influence the deposition fluxes only to a limited extent. We also find that secondary emissions from environmental reservoirs do not exceed primary emissions for all PCB congeners until at least 2036. Finally, we use our model to evaluate the effect of chemical regulation on future environmental contamination by PCBs. Copyright © 2016 Elsevier B.V. All rights reserved.

Results of an adaptive environmental assessment modeling workshop concerning potential impacts of drilling muds and cuttings on the marine environment

USGS Publications Warehouse

Auble, Gregor T.; Andrews, Austin K.; Ellison, Richard A.; Hamilton, David B.; Johnson, Richard A.; Roelle, James E.; Marmorek, David R.

1983-01-01

Drilling fluids or "muds" are essential components of modern drilling operations. They provide integrity for the well bore, a medium for removal of formation cuttings, and lubrication and cooling of the drill bit and pipe. The modeling workshop described in this report was conducted September 14-18, 1981 in Gulf Breeze, Florida to consider potential impacts of discharged drilling muds and cuttings on the marine environment. The broad goals of the workshop were synthesis of information on fate and effects, identification of general relationships between drilling fluids and the marine environment, and identification of site-specific variables likely to determine impacts of drilling muds and cuttings in various marine sites. The workshop was structured around construction of a model simulating fate and effects of discharges from a single rig into open water areas of the Gulf of Mexico, and discussion of factors that might produce different fate and effects in enclosed areas such as bays and estuaries. The simulation model was composed of four connected submodels. A Discharge/Fate submodel dealt with the discharge characteristics of the rig and the subsequent fate of discharged material. Three effects submodels then calculated biological responses at distances away from the rig for the water column, soft bottom benthos (assuming the rig was located over a soft bottom environment), and hard bottom benthos (assuming the rig was located over a hard bottom environment). The model focused on direct linkages between the discharge and various organisms rather than on how the marine ecosystem itself is interconnected. Behavior of the simulation model indicated relatively localized effects of drilling muds and cuttings discharged from a single platform into open water areas. Water column fate and effects were dominated by rapid dilution. Effects from deposition of spent mud and cuttings were spatially limited with relatively rapid recovery, especially in soft bottom benthic communities which were conceptualized as being adapted to frequent storms. This behavior was generated by the set of assumptions about linkages and functional relationships used to construct the model. Areas of uncertainty included methods for extrapolating 96-hr LC50 so results to exposures of varying lengths and concentrations; recovery rates of benthic communities; responses to various depths and rates of burial; fate and effects of the plume in relationship to stratification layers; and long-term and sub-lethal effects of slightly elevated concentrations of discharged materials. Evaluation of the assumptions of the Soft Bottom Submodel suggest that the assumptions used may have been relatively liberal estimates of resiliency of these communities. Discussion of "closed" water bodies such as bays and estuaries indicated several reasons to expect different and more complex fate and effects behavior in these areas. These factors included different species and communities (such as aquatic macrophytes and oyster beds), more complex circulation and stratification patterns, and potentially more active resuspension processes. Much of the possible difference in behavior in these areas centers around the extent to which they are “closed” or in the relative residence times of water and sediments in these areas as they determine the long-term dispersion of discharged material. Despite the complexity and variability of these areas, a large body of knowledge (such as that concerning fate and physical effects of dredge spoil) that could be effectively employed in analysis of potential fate and physical effects in enclosed areas was identified.

Modeling the Environmental Fate of Graphene Oxide and Its Phototransformation Products in Brier Creek Watershed Using the Water Quality Analysis Simulation Program 8 (WASP8)

EPA Science Inventory

The production of graphene-family nanoparticles (GFNs) appreciably increased in recent years. Among GFNs, graphene oxide (GO) is one of the most highly studied members due to its inexpensive synthesis cost compared to graphene, its stability in aqueous media and its broad applica...

Fate dynamics of environmentally exposed explosive traces.

PubMed

Kunz, Roderick R; Gregory, Kerin E; Aernecke, Matthew J; Clark, Michelle L; Ostrinskaya, Alla; Fountain, Augustus W

2012-04-12

The chemical and physical fates of trace amounts (<50 μg) of explosives containing 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and pentaerythritol tetranitrate (PETN) were determined for the purpose of informing the capabilities of tactical trace explosive detection systems. From these measurements, it was found that the mass decreases and the chemical composition changes on a time scale of hours, with the loss mechanism due to a combination of sublimation and photodegradation. The rates for these processes were dependent on the explosive composition, as well as on both the ambient temperature and the size distribution of the explosive particulates. From these results, a persistence model was developed and applied to model the time dependence of both the mass and areal coverage of the fingerprints, resulting in a predictive capability for determining fingerprint fate. Chemical analysis confirmed that sublimation rates for TNT were depressed by UV (330-400 nm) exposure due to photochemically driven increases in the molecular weight, whereas the opposite was observed for RDX. No changes were observed for PETN upon exposure to UV radiation, and this was attributed to its low UV absorbance.

Transport and fate of microbial pathogens in agricultural settings

USGS Publications Warehouse

Bradford, Scott A.; Morales, Veronica L.; Zhang, Wei; Harvey, Ronald W.; Packman, Aaron I.; Mohanram, Arvind; Welty, Claire

2013-01-01

An understanding of the transport and survival of microbial pathogens (pathogens hereafter) in agricultural settings is needed to assess the risk of pathogen contamination to water and food resources, and to develop control strategies and treatment options. However, many knowledge gaps still remain in predicting the fate and transport of pathogens in runoff water, and then through the shallow vadose zone and groundwater. A number of transport pathways, processes, factors, and mathematical models often are needed to describe pathogen fate in agricultural settings. The level of complexity is dramatically enhanced by soil heterogeneity, as well as by temporal variability in temperature, water inputs, and pathogen sources. There is substantial variability in pathogen migration pathways, leading to changes in the dominant processes that control pathogen transport over different spatial and temporal scales. For example, intense rainfall events can generate runoff and preferential flow that can rapidly transport pathogens. Pathogens that survive for extended periods of time have a greatly enhanced probability of remaining viable when subjected to such rapid-transport events. Conversely, in dry seasons, pathogen transport depends more strongly on retention at diverse environmental surfaces controlled by a multitude of coupled physical, chemical, and microbiological factors. These interactions are incompletely characterized, leading to a lack of consensus on the proper mathematical framework to model pathogen transport even at the column scale. In addition, little is known about how to quantify transport and survival parameters at the scale of agricultural fields or watersheds. This review summarizes current conceptual and quantitative models for pathogen transport and fate in agricultural settings over a wide range of spatial and temporal scales. The authors also discuss the benefits that can be realized by improved modeling, and potential treatments to mitigate the risk of waterborne disease transmission.

[Status Quo, Uncertainties and Trends Analysis of Environmental Risk Assessment for PFASs].

PubMed

Hao, Xue-wen; Li, Li; Wang, Jie; Cao, Yan; Liu, Jian-guo

2015-08-01

This study systematically combed the definition and change of terms, category and application of perfluoroalkyl and polyfluoroalkyl substances (PFASs) in international academic, focusing on the environmental risk and exposure assessment of PFASs, to comprehensively analyze the current status, uncertainties and trends of PFASs' environmental risk assessment. Overall, the risk assessment of PFASs is facing a complicated situation involving complex substance pedigrees, various types, complex derivative relations, confidential business information and risk uncertainties. Although the environmental risk of long-chain PFASs has been widely recognized, the short-chain PFASs and short-chain fluorotelomers as their alternatives still have many research gaps and uncertainties in environmental hazards, environmental fate and exposure risk. The scope of risk control of PFASs in the international community is still worth discussing. Due to trade secrets and market competition, the chemical structure and risk information of PFASs' alternatives are generally lack of openness and transparency. The environmental risk of most fluorinated and non-fluorinated alternatives is not clear. In total, the international research on PFASs risk assessment gradually transfer from long-chain perfluoroalkyl acids (PFAAs) represented by perfluorooctane sulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) to short-chain PFAAs, and then extends to other PFASs. The main problems to be solved urgently and researched continuously are: the environmental hazardous assessment indexes, such as bioaccumulation and environmental migration, optimization method, the environmental release and multimedia environmental fate of short-chain PFASs; the environmental fate of neutral PFASs and the transformation and contribution as precursors of short-chain PFASs; the risk identification and assessment of fluorinated and non-fluorinated alternatives of PFASs.

Emerging patterns for engineered nanomaterials in the environment: a review of fate and toxicity studies

NASA Astrophysics Data System (ADS)

Garner, Kendra L.; Keller, Arturo A.

2014-08-01

A comprehensive assessment of the environmental risks posed by engineered nanomaterials (ENMs) entering the environment is necessary, due in part to the recent predictions of ENM release quantities and because ENMs have been identified in waste leachate. The technical complexity of measuring ENM fate and transport processes in all environments necessitates identifying trends in ENM processes. Emerging information on the environmental fate and toxicity of many ENMs was collected to provide a better understanding of their environmental implications. Little research has been conducted on the fate of ENMs in the atmosphere; however, most studies indicate that ENMs will in general have limited transport in the atmosphere due to rapid settling. Studies of ENM fate in realistic aquatic media indicates that in general, ENMs are more stable in freshwater and stormwater than in seawater or groundwater, suggesting that transport may be higher in freshwater than in seawater. ENMs in saline waters generally sediment out over the course of hours to days, leading to likely accumulation in sediments. Dissolution is significant for specific ENMs (e.g., Ag, ZnO, copper ENMs, nano zero-valent iron), which can result in their transformation from nanoparticles to ions, but the metal ions pose their own toxicity concerns. In soil, the fate of ENMs is strongly dependent on the size of the ENM aggregates, groundwater chemistry, as well as the pore size and soil particle size. Most groundwater studies have focused on unfavorable deposition conditions, but that is unlikely to be the case in many natural groundwaters with significant ionic strength due to hardness or salinity. While much still needs to be better understood, emerging patterns with regards to ENM fate, transport, and exposure combined with emerging information on toxicity indicate that risk is low for most ENMs, though current exposure estimates compared with current data on toxicity indicates that at current production and release levels, exposure to Ag, nZVI, and ZnO may cause toxicity to freshwater and marine species.

Robustness and flexibility in nematode vulva development.

PubMed

Félix, Marie-Anne; Barkoulas, Michalis

2012-04-01

The Caenorhabditis elegans vulva has served as a paradigm for how conserved developmental pathways, such as EGF-Ras-MAPK, Notch and Wnt signaling, participate in networks driving animal organogenesis. Here, we discuss an emerging direction in the field, which places vulva research in a quantitative and microevolutionary framework. The final vulval cell fate pattern is known to be robust to change, but only recently has the variation of vulval traits been measured under stochastic, environmental or genetic variation. Whereas the resulting cell fate pattern is invariant among rhabditid nematodes, recent studies indicate that the developmental system has accumulated cryptic variation, even among wild C. elegans isolates. Quantitative differences in the signaling network have emerged through experiments and modeling as the driving force behind cryptic variation in Caenorhabditis species. On a wider evolutionary scale, the establishment of new model species has informed about the presence of qualitative variation in vulval signaling pathways. Copyright © 2012 Elsevier Ltd. All rights reserved.

Mathematical modelling of oil spill fate and transport in the marine environment incorporating biodegradation kinetics of oil droplets

NASA Astrophysics Data System (ADS)

Spanoudaki, Katerina

2016-04-01

Oil biodegradation by native bacteria is one of the most important natural processes that can attenuate the environmental impacts of marine oil spills. However, very few numerical models of oil spill fate and transport include biodegradation kinetics of spilled oil. Furthermore, in models where biodegradation is included amongst the oil transformation processes simulated, it is mostly represented as a first order decay process neglecting the effect of several important parameters that can limit biodegradation rate, such as oil composition and oil droplets-water interface. To this end, the open source numerical model MEDSKIL-II, which simulates oil spill fate and transport in the marine environment, has been modified to include biodegradation kinetics of oil droplets dispersed in the water column. MEDSLIK-II predicts the transport and weathering of oil spills following a Lagrangian approach for the solution of the advection-diffusion equation. Transport is governed by the 3D sea currents and wave field provided by ocean circulation models. In addition to advective and diffusive displacements, the model simulates several physical and chemical processes that transform the oil (evaporation, emulsification, dispersion in the water column, adhesion to coast). The fate algorithms employed in MEDSLIK-II consider the oil as a uniform substance whose properties change as the slick weathers, an approach that can lead to reduced accuracy, especially in the estimation of oil evaporation and biodegradation. Therefore MEDSLIK-II has been modified by adopting the "pseudo-component" approach for simulating weathering processes. Spilled oil is modelled as a relatively small number of discrete, non-interacting components (pseudo-components). Chemicals in the oil mixture are grouped by physical-chemical properties and the resulting pseudo-component behaves as if it were a single substance with characteristics typical of the chemical group. The fate (evaporation, dispersion, biodegradation) of each component is tracked separately. Biodegradation of oil droplets is modelled by Monod kinetics. The kinetics of oil particles size reduction due to the microbe-mediated degradation at water-oil particle interface is represented by the shrinking core model. In order to test the performance of the modified MEDSLIK-II model, it has been applied to a test case built-in the original code. The total fate of the oil spill is simulated both without biodegradation kinetics and when biodegradation is taken into account, for reasons of comparison. Several parameters that control biodegradation rate, including initial oil concentration and composition, size distribution of oil droplets and initial microbial concentration have been investigated. This upgraded version of MEDSLIK-II can be useful not only for predicting the transport and fate of spilled oil in the short term but also for evaluating different bioremediation strategies and risk assessment for the mid- and long term. Acknowledgements: The financial support by the EU project DECATASTROPHIZE: Use of SDSS and MCDA to Prepare for Disasters or Plan for Multiple Hazards, GA no. ECHO/SUB/2015/713788/PREP02, is greatly acknowledged.

Chiral pharmaceuticals: A review on their environmental occurrence and fate processes.

PubMed

Sanganyado, Edmond; Lu, Zhijiang; Fu, Qiuguo; Schlenk, Daniel; Gan, Jay

2017-11-01

More than 50% of pharmaceuticals in current use are chiral compounds. Enantiomers of the same pharmaceutical have identical physicochemical properties, but may exhibit differences in pharmacokinetics, pharmacodynamics and toxicity. The advancement in separation and detection methods has made it possible to analyze trace amounts of chiral compounds in environmental media. As a result, interest on chiral analysis and evaluation of stereoselectivity in environmental occurrence, phase distribution and degradation of chiral pharmaceuticals has grown substantially in recent years. Here we review recent studies on the analysis, occurrence, and fate of chiral pharmaceuticals in engineered and natural environments. Monitoring studies have shown ubiquitous presence of chiral pharmaceuticals in wastewater, surface waters, sediments, and sludge, particularly β-receptor antagonists, analgesics, antifungals, and antidepressants. Selective sorption and microbial degradation have been demonstrated to result in enrichment of one enantiomer over the other. The changes in enantiomer composition may also be caused by biologically catalyzed chiral inversion. However, accurate evaluation of chiral pharmaceuticals as trace environmental pollutants is often hampered by the lack of identification of the stereoconfiguration of enantiomers. Furthermore, a systematic approach including occurrence, fate and transport in various environmental matrices is needed to minimize uncertainties in risk assessment of chiral pharmaceuticals as emerging environmental contaminants. Copyright © 2017 Elsevier Ltd. All rights reserved.

Environmental risk assessment of paroxetine.

PubMed

Cunningham, Virginia L; Constable, David J C; Hannah, Robert E

2004-06-15

Paroxetine hydrochloride hemihydrate (the active ingredient in Paxil) is a pharmaceutical compound used for the treatment of depression, social anxiety disorder, obsessive compulsive disorder, panic disorder, and generalized anxiety disorder. Paroxetine (PA) is extensively metabolized in humans, with about 97% of the parent compound being excreted as metabolites through the urine and feces of patients. Therefore PA and metabolites have the potential to be discharged into wastewater treatment systems after therapeutic use. PA and its major human metabolite (PM) were investigated using studies designed to describe physical/chemical characteristics and determine their fate and effects in the aquatic environment. A significant portion of the PM entering a wastewater treatment plant would be expected to biodegrade given the higher activated sludge solids concentrations present in a typical wastewater treatment plant. The potential for direct photolysis of PM is also possible based on photolysis results for PA itself. These results provide strong support for expecting that PA and PM residuals will not persist in the aquatic environment after discharge from a wastewater treatment facility. This conclusion is also supported by the results of a USGS monitoring study, where no PM was detected in any of the samples at the 260 ng/L reporting limit. The results presented here also demonstrate the importance of understanding the human metabolism of a pharmaceutical so that the appropriate molecule(s) is used for fate and effects studies. In addition to the PA fate studies, PM was investigated using studies designed to determine potential environmental effects and a predicted no effect level (PNEC). The average measured activated sludge respiration inhibition value (EC50) for PM was 82 mg/L. The measured Microtox EC50 value was 33.0 mg/L, while the Daphnia magna EC50 value was 35.0 mg/L. The PNEC for PM was calculated to be 35.0 microg/L. Fate data were then used in a new watershed-based environmental risk assessment model, PhATE, to predict environmental concentrations (PECs). Comparison of the calculated PECs with the PNEC allows an assessment of potential environmental risk. Within the 1-99% of stream segments in the PhATE model, PEC values ranged from 0.003 to 100 ng/L. The risk assessment PEC/PNEC ratios ranged from approximately 3 x 10(-8) to approximately 3 x 10(-3), indicating a wide margin of safety, since a PEC/PNEC ratio <1 is generally considered to represent a low risk to the environment. In addition, Microtox studies carried out on PM biodegradation byproducts indicated no detectable residual toxicity. Any compounds in the environment as a result of the biodegradation of PM should be innocuous polar byproducts that should not exert any toxic effects.

The environmental fate of polybrominated diphenyl ethers in the Great Lakes Basin

NASA Astrophysics Data System (ADS)

Gouin, Todd William

Semi-volatile organic compounds, such as the polybrominated diphenyl ethers (PBDEs) have the potential to undergo long-range atmospheric transport (LRAT) to remote locations, which can increase the exposure of sensitive ecosystems to potentially harmful substances. Regulatory instruments, such as the Stockholm Convention on persistent organic pollutants (POPs), have been implemented to limit and/or prevent this exposure. Through the acquisition of scientific data, knowledge can be gained about the environmental fate and human exposure of chemical substances, and the risks associated with using those substances assessed. PBDEs are a class of flame retardants that are used in a wide range of commercial products. In response to growing concern over the detection of PBDEs in remote regions, a number of regulatory bodies have implemented measures to restrict the use of PBDEs. Using a suite of environmental fate models it is shown that PBDEs will most likely partition to organic carbon in soil and sediment, and that their persistence in the environment will be strongly influenced by their reactivity in those compartments. The transport potential of the PBDEs is investigated using the transport and persistence level III model TaPL3, using model environments with and without vegetation. It is suggested that the LRAT potential of the PBDEs is likely to be greater for the more volatile lower brominated congeners than for the higher brominated congeners, and that the LRAT may be sensitive to seasonal changes in the environment, such as temperature, vegetation and changes in precipitation. Furthermore, model results suggest that the PBDEs may be subject to a "spring pulse" effect, whereby concentrations are elevated in air during the early spring. Field studies support the theory of a "spring pulse" effect, where concentrations were observed to be five times greater during the period between snowmelt and bud burst than the average concentration before and after, but conclude that this phenomenon is likely to be important only during the period of a few days. Passive air samplers (PAS) deployed on a seasonal basis suggest that the "spring pulse" effect is not likely to dominate the seasonal trend, but do indicate that areas with high population densities, such as large urban areas, are likely sources of PBDEs to the atmosphere. PAS are thus useful in qualitatively identifying spatial and temporal trends of PBDEs, investigating source-receptor relationships, and may help to assess the effectiveness of regulatory restrictions in the future by monitoring the temporal trend of PBDEs in air. The PBDE congener profile in air is shown to be dominated by decaBDE, which is currently exempt from regulatory restrictions. The presence of decaBDE in air is shown to be almost entirely associated with particles. It is concluded that improving our understanding of particle-bound transport is necessary to better assess the environmental fate of decaBDE.

Characterization Of Environmentally Relevant Chemical And Physical Properties Of Silver Nano-Particles

EPA Science Inventory

Understanding and predicting the fate and transport of nano-materials in the environment requires a detailed characterization of the chemical and physical properties that control fate and transport. In the current study, we have evaluated the surface charge, aggregation potentia...

UNDERSTANDING THE FATE OF PETROLEUM HYDROCARBONS IN THE SUBSURFACE ENVIRONMENT

EPA Science Inventory

Sinca a significant number of the two or more million underground storage tank (UST) systems used for petroleum products leak, their cleanup poses a major environmental challenge. Our understnading of the fate of petroleum hydrocarbons in the subsurface environment is critical t...

Conceptual Model of Iodine Behavior in the Subsurface at the Hanford Site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Truex, Michael J.; Lee, Brady D.; Johnson, Christian D.

The fate and transport of 129I in the environment and potential remediation technologies are currently being studied as part of environmental remediation activities at the Hanford Site. A conceptual model describing the nature and extent of subsurface contamination, factors that control plume behavior, and factors relevant to potential remediation processes is needed to support environmental remedy decisions. Because 129I is an uncommon contaminant, relevant remediation experience and scientific literature are limited. Thus, the conceptual model also needs to both describe known contaminant and biogeochemical process information and to identify aspects about which additional information needed to effectively support remedy decisions.more » this document summarizes the conceptual model of iodine behavior relevant to iodine in the subsurface environment at the Hanford site.« less

The influence of climate change on the global distribution and fate processes of anthropogenic persistent organic pollutants.

PubMed

Kallenborn, Roland; Halsall, Crispin; Dellong, Maud; Carlsson, Pernilla

2012-11-01

The effect of climate change on the global distribution and fate of persistent organic pollutants (POPs) is of growing interest to both scientists and policy makers alike. The impact of warmer temperatures and the resulting changes to earth system processes on chemical fate are, however, unclear, although there are a growing number of studies that are beginning to examine these impacts and changes in a quantitative way. In this review, we examine broad areas where changes are occurring or are likely to occur with regard to the environmental cycling and fate of chemical contaminants. For this purpose we are examining scientific information from long-term monitoring data with particular emphasis on the Arctic, to show apparent changes in chemical patterns and behaviour. In addition, we examine evidence of changing chemical processes for a number of environmental compartments and indirect effects of climate change on contaminant emissions and behaviour. We also recommend areas of research to address knowledge gaps. In general, our findings indicate that the indirect consequences of climate change (i.e. shifts in agriculture, resource exploitation opportunities, etc.) will have a more marked impact on contaminants distribution and fate than direct climate change.

Concentration-dependent polyparameter linear free energy relationships to predict organic compound sorption on carbon nanotubes

PubMed Central

Zhao, Qing; Yang, Kun; Li, Wei; Xing, Baoshan

2014-01-01

Adsorption of organic compounds on carbon nanotubes (CNTs), governed by interactions between molecules and CNTs surfaces, is critical for their fate, transport, bioavailability and toxicity in the environment. Here, we report a promising concentration-dependent polyparameter linear free energy relationships (pp-LFERs) model to describe the compound-CNTs interactions and to predict sorption behavior of chemicals on CNTs in a wide range of concentrations (over five orders of magnitude). The developed pp-LFERs are able to capture the dependence of the ki on equilibrium concentration. The pp-LFERs indexes [r, p, a, b, v] representing different interactions are found to have a good relationship with the aqueous equilibrium concentrations of compounds. This modified model can successfully interpret the relative contribution of each interaction at a given concentration and reliably predict sorption of various chemicals on CNTs. This approach is expected to help develop a better environmental fate and risk assessment model. PMID:24463462

Exploring tropical forest vegetation dynamics using the FATES model

NASA Astrophysics Data System (ADS)

Koven, C. D.; Fisher, R.; Knox, R. G.; Chambers, J.; Kueppers, L. M.; Christoffersen, B. O.; Davies, S. J.; Dietze, M.; Holm, J.; Massoud, E. C.; Muller-Landau, H. C.; Powell, T.; Serbin, S.; Shuman, J. K.; Walker, A. P.; Wright, S. J.; Xu, C.

2017-12-01

Tropical forest vegetation dynamics represent a critical climate feedback in the Earth system, which is poorly represented in current global modeling approaches. We discuss recent progress on exploring these dynamics using the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), a demographic vegetation model for the CESM and ACME ESMs. We will discuss benchmarks of FATES predictions for forest structure against inventory sites, sensitivity of FATES predictions of size and age structure to model parameter uncertainty, and experiments using the FATES model to explore PFT competitive dynamics and the dynamics of size and age distributions in responses to changing climate and CO2.

Using model-based screening to help discover unknown environmental contaminants.

PubMed

McLachlan, Michael S; Kierkegaard, Amelie; Radke, Michael; Sobek, Anna; Malmvärn, Anna; Alsberg, Tomas; Arnot, Jon A; Brown, Trevor N; Wania, Frank; Breivik, Knut; Xu, Shihe

2014-07-01

Of the tens of thousands of chemicals in use, only a small fraction have been analyzed in environmental samples. To effectively identify environmental contaminants, methods to prioritize chemicals for analytical method development are required. We used a high-throughput model of chemical emissions, fate, and bioaccumulation to identify chemicals likely to have high concentrations in specific environmental media, and we prioritized these for target analysis. This model-based screening was applied to 215 organosilicon chemicals culled from industrial chemical production statistics. The model-based screening prioritized several recognized organosilicon contaminants and generated hypotheses leading to the selection of three chemicals that have not previously been identified as potential environmental contaminants for target analysis. Trace analytical methods were developed, and the chemicals were analyzed in air, sewage sludge, and sediment. All three substances were found to be environmental contaminants. Phenyl-tris(trimethylsiloxy)silane was present in all samples analyzed, with concentrations of ∼50 pg m(-3) in Stockholm air and ∼0.5 ng g(-1) dw in sediment from the Stockholm archipelago. Tris(trifluoropropyl)trimethyl-cyclotrisiloxane and tetrakis(trifluoropropyl)tetramethyl-cyclotetrasiloxane were found in sediments from Lake Mjøsa at ∼1 ng g(-1) dw. The discovery of three novel environmental contaminants shows that models can be useful for prioritizing chemicals for exploratory assessment.

Determination of fluorotelomer alcohols in selected consumer products and preliminary investigation of their fate in the indoor environment

EPA Science Inventory

The U.S. Environmental Protection Agency (EPA) has established an ongoing effort to identify the major perfluorocarboxylic acid (PFCA) sources in nonoccupational indoor environments and characterize their transport and fate. This study determined the concentrations of perfluorote...

The Multimedia Environmental Pollutant Assessment System (MEPAS){reg_sign}: Atmospheric pathway formulations. Revision

DOE Office of Scientific and Technical Information (OSTI.GOV)

Droppo, J.G.; Buck, J.W.

1996-03-01

The Multimedia Environmental Pollutant Assessment System (MEPAS) is an integrated software implementation of physics-based fate and transport models for health and environmental risk assessments of both radioactive and hazardous pollutants. This atmospheric component report is one of a series of formulation reports that document the MEPAS mathematical models. MEPAS is a multimedia model; pollutant transport is modeled within, through, and between multiple media (air, soil, groundwater, and surface water). The estimated concentrations in the various media are used to compute exposures and impacts to the environment, to maximum individuals, and to populations. The MEPAS atmospheric component for the air mediamore » documented in this report includes models for emission from a source to the air, initial plume rise and dispersion, airborne pollutant transport and dispersion, and deposition to soils and crops. The material in this report is documentation for MEPAS Versions 3.0 and 3.1 and the MEPAS version used in the Remedial Action Assessment System (RAAS) Version 1.0.« less

Towards more accurate vegetation mortality predictions

DOE PAGES

Sevanto, Sanna Annika; Xu, Chonggang

2016-09-26

Predicting the fate of vegetation under changing climate is one of the major challenges of the climate modeling community. Here, terrestrial vegetation dominates the carbon and water cycles over land areas, and dramatic changes in vegetation cover resulting from stressful environmental conditions such as drought feed directly back to local and regional climate, potentially leading to a vicious cycle where vegetation recovery after a disturbance is delayed or impossible.

"THE DYNAMICS OF ARSENIC IN SATURATED POROUS MEDIA: FATE AND TRANSPORT MODELING FOR DEEP-WATER SEDIMENTS, WETLAND SEDIMENTS, AND GROUNDWATER ENVIRONMENTS," WATER ROCK INTERACTIONS, ORE DEPOSITS, AND ENVIRONMENTAL GEOCHEMISTRY: A TRIBUTE TO DAVID CRERAR. (R827288)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

A simulation study to quantify the impacts of exposure ...

EPA Pesticide Factsheets

A simulation study to quantify the impacts of exposure measurement error on air pollution health risk estimates in copollutant time-series models The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

Occurrence, fate, behavior and ecotoxicological state of phthalates in different environmental matrices.

PubMed

Net, Sopheak; Sempéré, Richard; Delmont, Anne; Paluselli, Andrea; Ouddane, Baghdad

2015-04-07

Because of their large and widespread application, phthalates or phthalic acid esters (PAEs) are ubiquitous in all the environmental compartements. They have been widely detected throughout the worldwide environment. Indoor air where people spend 65-90% of their time is also highly contaminated by various PAEs released from plastics, consumer products as well as ambient suspended particulate matter. Because of their widespread application, PAEs are the most common chemicals that humans are in contact with daily. Based on various exposure mechanisms, including the ingestion of food, drinking water, dust/soil, air inhalation and dermal exposure the daily intake of PAEs may reach values as high as 70 μg/kg/day. PAEs are involved in endocrine disrupting effects, namely, upon reproductive physiology in different species of fish and mammals. They also present a variety of additional toxic effects for many other species including terrestrial and aquatic fauna and flora. Therefore, their presence in the environment has attracted considerable attention due to their potential impacts on ecosystem functioning and on public health. This paper is a synthesis of the extensive literature data on behavior, transport, fate and ecotoxicological state of PAEs in environmental matrices: air, water, sediment, sludge, wastewater, soil, and biota. First, the origins and physicochemical properties of PAEs that control the behavior, transport and fate in the environment are reviewed. Second, the compilation of data on transport and fate, adverse environmental and human health effects, legislation, restrictions, and ecotoxicological state of the environment based on PAEs is presented.

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.

PubMed

Ciffroy, P; Alfonso, B; Altenpohl, A; Banjac, Z; Bierkens, J; Brochot, C; Critto, A; De Wilde, T; Fait, G; Fierens, T; Garratt, J; Giubilato, E; Grange, E; Johansson, E; Radomyski, A; Reschwann, K; Suciu, N; Tanaka, T; Tediosi, A; Van Holderbeke, M; Verdonck, F

2016-10-15

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. Copyright © 2016 Elsevier B.V. All rights reserved.

DETERMINING EOSIN AS A GROUNDWATER MIGRATION TRACER BY CAPILLARY ELECTROPHORESIS/LASER-INDUCED FLUORESCENCE USING A MULTIWAVELENGTH LASER

EPA Science Inventory

Groundwater migration remains an important contributor in determining the distribution and fate of environmental pollutants originating from various waste sites or in understanding fate and transport .[ 1- 3] .Groundwater tracers are often used to determine the flow of groundwa...

Environmental risk assessments for transgenic crops producing output trait enzymes

PubMed Central

Tuttle, Ann; Shore, Scott; Stone, Terry

2009-01-01

The environmental risks from cultivating crops producing output trait enzymes can be rigorously assessed by testing conservative risk hypotheses of no harm to endpoints such as the abundance of wildlife, crop yield and the rate of degradation of crop residues in soil. These hypotheses can be tested with data from many sources, including evaluations of the agronomic performance and nutritional quality of the crop made during product development, and information from the scientific literature on the mode-of-action, taxonomic distribution and environmental fate of the enzyme. Few, if any, specific ecotoxicology or environmental fate studies are needed. The effective use of existing data means that regulatory decision-making, to which an environmental risk assessment provides essential information, is not unnecessarily complicated by evaluation of large amounts of new data that provide negligible improvement in the characterization of risk, and that may delay environmental benefits offered by transgenic crops containing output trait enzymes. PMID:19924556

Decision support for environmental management of industrial non-hazardous secondary materials: New analytical methods combined with simulation and optimization modeling.

PubMed

Little, Keith W; Koralegedara, Nadeesha H; Northeim, Coleen M; Al-Abed, Souhail R

2017-07-01

Non-hazardous solid materials from industrial processes, once regarded as waste and disposed in landfills, offer numerous environmental and economic advantages when put to beneficial uses (BUs). Proper management of these industrial non-hazardous secondary materials (INSM) requires estimates of their probable environmental impacts among disposal as well as BU options. The U.S. Environmental Protection Agency (EPA) has recently approved new analytical methods (EPA Methods 1313-1316) to assess leachability of constituents of potential concern in these materials. These new methods are more realistic for many disposal and BU options than historical methods, such as the toxicity characteristic leaching protocol. Experimental data from these new methods are used to parameterize a chemical fate and transport (F&T) model to simulate long-term environmental releases from flue gas desulfurization gypsum (FGDG) when disposed of in an industrial landfill or beneficially used as an agricultural soil amendment. The F&T model is also coupled with optimization algorithms, the Beneficial Use Decision Support System (BUDSS), under development by EPA to enhance INSM management. Published by Elsevier Ltd.

A network model for the specification of vulval precursor cells and cell fusion control in Caenorhabditis elegans

PubMed Central

Weinstein, Nathan; Mendoza, Luis

2013-01-01

The vulva of Caenorhabditis elegans has been long used as an experimental model of cell differentiation and organogenesis. While it is known that the signaling cascades of Wnt, Ras/MAPK, and NOTCH interact to form a molecular network, there is no consensus regarding its precise topology and dynamical properties. We inferred the molecular network, and developed a multivalued synchronous discrete dynamic model to study its behavior. The model reproduces the patterns of activation reported for the following types of cell: vulval precursor, first fate, second fate, second fate with reversed polarity, third fate, and fusion fate. We simulated the fusion of cells, the determination of the first, second, and third fates, as well as the transition from the second to the first fate. We also used the model to simulate all possible single loss- and gain-of-function mutants, as well as some relevant double and triple mutants. Importantly, we associated most of these simulated mutants to multivulva, vulvaless, egg-laying defective, or defective polarity phenotypes. The model shows that it is necessary for RAL-1 to activate NOTCH signaling, since the repression of LIN-45 by RAL-1 would not suffice for a proper second fate determination in an environment lacking DSL ligands. We also found that the model requires the complex formed by LAG-1, LIN-12, and SEL-8 to inhibit the transcription of eff-1 in second fate cells. Our model is the largest reconstruction to date of the molecular network controlling the specification of vulval precursor cells and cell fusion control in C. elegans. According to our model, the process of fate determination in the vulval precursor cells is reversible, at least until either the cells fuse with the ventral hypoderm or divide, and therefore the cell fates must be maintained by the presence of extracellular signals. PMID:23785384

Assessment of the environmental fate and effects of azilsartan, a selective antagonist of angiotensin II type 1.

PubMed

Weltman, R; Brands, C M J; Corral, E; Desmares-Koopmans, M J E; Migchielsen, M H J; Oudhoff, K A; de Roode, D F

2012-06-01

In this paper the results of a thorough evaluation of the environmental fate and effects of azilsartan are presented. Azilsartan medoxomil is administered as a pro-drug for the treatment of patients with essential hypertension. The pro-drug is converted by hydrolysis to the active pharmaceutical ingredient azilsartan. Laboratory tests to evaluate the environmental fate and effects of azilsartan medoxomil were conducted with azilsartan and performed in accordance with OECD test guidelines. The predicted environmental concentration (PEC) in surface water was estimated at 0.32 μg L(-1) (above the action limit of 0.01 μg L(-1)), triggering a Phase II assessment. Azilsartan is not readily biodegradable. Results of the water sediment study demonstrated significant shifting of azilsartan metabolites to sediment. Based on the equilibrium partitioning method, metabolites are unlikely to pose a risk to sediment-dwelling organisms. Ratios of the predicted environmental concentrations (PECs) to the predicted-no-effect concentrations (PNECs) did not exceed the relevant triggers, and the risk to aquatic, sewage treatment plant (STP), groundwater and sediment compartments was concluded acceptable. A terrestrial assessment was not triggered. Azilsartan poses an acceptable risk to the environment. Copyright © 2012 Elsevier Ltd. All rights reserved.

The fate of Amazonian ecosystems over the coming century arising from changes in climate, atmospheric CO2, and land use.

PubMed

Zhang, Ke; de Almeida Castanho, Andrea D; Galbraith, David R; Moghim, Sanaz; Levine, Naomi M; Bras, Rafael L; Coe, Michael T; Costa, Marcos H; Malhi, Yadvinder; Longo, Marcos; Knox, Ryan G; McKnight, Shawna; Wang, Jingfeng; Moorcroft, Paul R

2015-02-20

There is considerable interest in understanding the fate of the Amazon over the coming century in the face of climate change, rising atmospheric CO 2 levels, ongoing land transformation, and changing fire regimes within the region. In this analysis, we explore the fate of Amazonian ecosystems under the combined impact of these four environmental forcings using three terrestrial biosphere models (ED2, IBIS, and JULES) forced by three bias-corrected IPCC AR4 climate projections (PCM1, CCSM3, and HadCM3) under two land-use change scenarios. We assess the relative roles of climate change, CO 2 fertilization, land-use change, and fire in driving the projected changes in Amazonian biomass and forest extent. Our results indicate that the impacts of climate change are primarily determined by the direction and severity of projected changes in regional precipitation: under the driest climate projection, climate change alone is predicted to reduce Amazonian forest cover by an average of 14%. However, the models predict that CO 2 fertilization will enhance vegetation productivity and alleviate climate-induced increases in plant water stress, and, as a result, sustain high biomass forests, even under the driest climate scenario. Land-use change and climate-driven changes in fire frequency are predicted to cause additional aboveground biomass loss and reductions in forest extent. The relative impact of land use and fire dynamics compared to climate and CO 2 impacts varies considerably, depending on both the climate and land-use scenario, and on the terrestrial biosphere model used, highlighting the importance of improved quantitative understanding of all four factors - climate change, CO 2 fertilization effects, fire, and land use - to the fate of the Amazon over the coming century. © 2015 John Wiley & Sons Ltd.

Aqueous phase hydration and hydrate acidity of perfluoroalkyl and n:2 fluorotelomer aldehydes.

PubMed

Rayne, Sierra; Forest, Kaya

2016-01-01

The SPARC software program and comparative density functional theory (DFT) calculations were used to investigate the aqueous phase hydration equilibrium constants (Khyd) of perfluoroalkyl aldehydes (PFAlds) and n:2 fluorotelomer aldehydes (FTAlds). Both classes are degradation products of known industrial compounds and environmental contaminants such as fluorotelomer alcohols, iodides, acrylates, phosphate esters, and other derivatives, as well as hydrofluorocarbons and hydrochlorofluorocarbons. Prior studies have generally failed to consider the hydration, and subsequent potential hydrate acidity, of these compounds, resulting in incomplete and erroneous predictions as to their environmental behavior. In the current work, DFT calculations suggest that all PFAlds will be dominantly present as the hydrated form in aqueous solution. Both SPARC and DFT calculations suggest that FTAlds will not likely be substantially hydrated in aquatic systems or in vivo. PFAld hydrates are expected to have pKa values in the range of phenols (ca. 9 to 10), whereas n:2 FTAld hydrates are expected to have pKa values ca. 2 to 3 units higher (ca. 12 to 13). In order to avoid spurious modeling predictions and a fundamental misunderstanding of their fate, the molecular and/or dissociated hydrate forms of PFAlds and FTAlds need to be explicitly considered in environmental, toxicological, and waste treatment investigations. The results of the current study will facilitate a more complete examination of the environmental fate of PFAlds and FTAlds.

Concentrations of the UV filter ethylhexyl methoxycinnamate in the aquatic compartment: a comparison of modelled concentrations for Swiss surface waters with empirical monitoring data.

PubMed

Straub, Jürg Oliver

2002-05-10

UV filters in sunscreens and cosmetics protect the skin from damage through UV radiation. Many tonnes per year of UV filters are being used in Europe and will be present, at least seasonally, in detectable concentrations in surface waters similar to common pharmaceutically active substances. Predicted environmental concentrations (PECs) of ethylhexyl methoxycinnamate (EHMC; CAS 5466-77-3) were extrapolated for Switzerland, taking into consideration substance-specific environmental fate data and marketing estimates, by crude worst-case reckoning and by applying two environmental models (Mackay Level III; USES 3.0), both configured for Swiss hydrological and area data. By worst-case reckoning the summer PEC is 70.8-81.3 ng/l while for the remaining 8 months of the year the PEC is 13.1-15.1 ng/l. The Level III model results in concentrations of 2.4 ng/l during the summer and 0.44 ng/l during the rest of the year, while the USES 3.0 model gives an average PEC for the whole year of 7.6 ng/l. Pooling summer monitoring data (90 single analyses) from the River Rhine below Basel in the year 1997 (Water Protection Board of Basel) and from Lakes Zurich and Hüttner in 1998 (Poiger et al., in preparation) allowed a derivation of a probabilistic median concentration of 4.6 ng/l, a 95th-percentile concentration of 18.6 ng/l and a 99th-percentile concentration of 33.5 ng/l. The 6-fold range from the median value to the maximum calls for caution in interpreting published monitoring concentrations. Comparison of modelled PECs with realistic median concentrations shows that crude reckoning overestimates actual concentrations by a factor of about 10, probably through insufficient consideration of (further) degradation of EHMC in sewage works, surface waters, sediments or river banks. Both computer models, in contrast, are within the same order of magnitude as the actual summer concentrations. Based on the available data, both these environmental fate and distribution models give realistic PECs.

Fate and Transport of Nanoparticles in Porous Media: A Numerical Study

NASA Astrophysics Data System (ADS)

Taghavy, Amir

Understanding the transport characteristics of NPs in natural soil systems is essential to revealing their potential impact on the food chain and groundwater. In addition, many nanotechnology-based remedial measures require effective transport of NPs through soil, which necessitates accurate understanding of their transport and retention behavior. Based upon the conceptual knowledge of environmental behavior of NPs, mathematical models can be developed to represent the coupling of processes that govern the fate of NPs in subsurface, serving as effective tools for risk assessment and/or design of remedial strategies. This work presents an innovative hybrid Eulerian-Lagrangian modeling technique for simulating the simultaneous reactive transport of nanoparticles (NPs) and dissolved constituents in porous media. Governing mechanisms considered in the conceptual model include particle-soil grain, particle-particle, particle-dissolved constituents, and particle- oil/water interface interactions. The main advantage of this technique, compared to conventional Eulerian models, lies in its ability to address non-uniformity in physicochemical particle characteristics. The developed numerical simulator was applied to investigate the fate and transport of NPs in a number of practical problems relevant to the subsurface environment. These problems included: (1) reductive dechlorination of chlorinated solvents by zero-valent iron nanoparticles (nZVI) in dense non-aqueous phase liquid (DNAPL) source zones; (2) reactive transport of dissolving silver nanoparticles (nAg) and the dissolved silver ions; (3) particle-particle interactions and their effects on the particle-soil grain interactions; and (4) influence of particle-oil/water interface interactions on NP transport in porous media.

Development of a novel in silico model of zeta potential for metal oxide nanoparticles: a nano-QSPR approach

NASA Astrophysics Data System (ADS)

Wyrzykowska, Ewelina; Mikolajczyk, Alicja; Sikorska, Celina; Puzyn, Tomasz

2016-11-01

Once released into the aquatic environment, nanoparticles (NPs) are expected to interact (e.g. dissolve, agglomerate/aggregate, settle), with important consequences for NP fate and toxicity. A clear understanding of how internal and environmental factors influence the NP toxicity and fate in the environment is still in its infancy. In this study, a quantitative structure-property relationship (QSPR) approach was employed to systematically explore factors that affect surface charge (zeta potential) under environmentally realistic conditions. The nano-QSPR model developed with multiple linear regression (MLR) was characterized by high robustness ({{{Q}}{{2}}}{{CV}}=0.90) and external predictivity ({{{Q}}{{2}}}{{EXT}}=0.93). The results clearly showed that zeta potential values varied markedly as functions of the ionic radius of the metal atom in the metal oxides, confirming that agglomeration and the extent of release of free MexOy largely depend on their intrinsic properties. A developed nano-QSPR model was successfully applied to predict zeta potential in an ionized solution of NPs for which experimentally determined values of response have been unavailable. Hence, the application of our model is possible when the values of zeta potential in the ionized solution for metal oxide nanoparticles are undetermined, without the necessity of performing more time consuming and expensive experiments. We believe that our studies will be helpful in predicting the conditions under which MexOy is likely to become problematic for the environment and human health.

FATE & EFFECTS OF AGRICULTURAL PESTICIDES WITHIN WEEKS BAY WATERSHED, A NATIONAL ESTUARINE RESEARCH RESERVE

EPA Science Inventory

Lytle, J.S., T.F. Lytle and M.A. Lewis. In press. Fate and Effects of Agricultural Pesticides Within Weeks Bay Watershed, a National Estuarine Research Preserve. To be presented at the 24th Annual Meeting in North America of the Society of Environmental Toxicology and Chemistry: ...

Transport and fate of methyl iodide a its pest control in soils

USDA-ARS?s Scientific Manuscript database

For fumigants, information on transport and fate, as well as pest control, is needed to develop management practices with the fewest human and environmental health risks while offering sufficient pest control efficacy. For this purpose, a 2-D soil chamber (60 cm wide, 60 cm long, and 6 cm thick) wit...

Stability and Aggregation of Silver and Titanium Dioxide Nanoparticles in Seawater: Role of Salinity and Dissolved Organic Matter

EPA Science Inventory

The behavior and fate of nanoparticles (NPs) in the marine environment is largely unknown and has the potential to have important environmental and human health implications. The aggregation state and fate of NPs in the marine environment is greatly influenced by their interactio...

Decision Support for Environmental Management of Industrial ...

EPA Pesticide Factsheets

Non-hazardous solid materials from industrial processes, once regarded as waste and disposed in landfills, offer numerous environmental and economic advantages when put to beneficial uses (BUs). Proper management of these industrial non-hazardous secondary materials (INSM) requires estimates of their probable environmental impacts among disposal as well as BU options. The U.S. Environmental Protection Agency (EPA) has recently approved new analytical methods (EPA Methods 1313–1316) to assess leachability of constituents of potential concern in these materials. These new methods are more realistic for many disposal and BU options than historical methods, such as the toxicity characteristic leaching protocol. Experimental data from these new methods are used to parameterize a chemical fate and transport (F&T) model to simulate long-term environmental releases from flue gas desulfurization gypsum (FGDG) when disposed of in an industrial landfill or beneficially used as an agricultural soil amendment. The F&T model is also coupled with optimization algorithms, the Beneficial Use Decision Support System (BUDSS), under development by EPA to enhance INSM management. The objective of this paper is to demonstrate the methodologies and encourage similar applications to improve environmental management and BUs of INSM through F&T simulation coupled with optimization, using realistic model parameterization.

Simulating Exposure Concentrations of Engineered Nanomaterials in Surface Water Systems: Release of WASP8

NASA Astrophysics Data System (ADS)

Knightes, C. D.; Bouchard, D.; Zepp, R. G.; Henderson, W. M.; Han, Y.; Hsieh, H. S.; Avant, B. K.; Acrey, B.; Spear, J.

2017-12-01

The unique properties of engineered nanomaterials led to their increased production and potential release into the environment. Currently available environmental fate models developed for traditional contaminants are limited in their ability to simulate nanomaterials' environmental behavior. This is due to an incomplete understanding and representation of the processes governing nanomaterial distribution in the environment and by scarce empirical data quantifying the interaction of nanomaterials with environmental surfaces. The well-known Water Quality Analysis Simulation Program (WASP) was updated to incorporate nanomaterial-specific processes, specifically hetero-aggregation with particulate matter. In parallel with this effort, laboratory studies were used to quantify parameter values parameters necessary for governing processes in surface waters. This presentation will discuss the recent developments in the new architecture for WASP8 and the newly constructed Advanced Toxicant Module. The module includes advanced algorithms for increased numbers of state variables: chemicals, solids, dissolved organic matter, pathogens, temperature, and salinity. This presentation will focus specifically on the incorporation of nanomaterials, with the applications of the fate and transport of hypothetical releases of Multi-Walled Carbon Nanotubes (MWCNT) and Graphene Oxide (GO) into the headwaters of a southeastern US coastal plains river. While this presentation focuses on nanomaterials, the advanced toxicant module can also simulate metals and organic contaminants.

FATE 5: A natural attenuation calibration tool for groundwater fate and transport modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nevin, J.P.; Connor, J.A.; Newell, C.J.

1997-12-31

A new groundwater attenuation modeling tool (FATE 5) has been developed to assist users with determining site-specific natural attenuation rates for organic constituents dissolved in groundwater. FATE 5 is based on and represents an enhancement to the Domenico analytical groundwater transport model. These enhancements include use of an optimization routine to match results from the Domenico model to actual measured site concentrations, an extensive database of chemical property data, and calculation of an estimate of the length of time needed for a plume to reach steady state conditions. FATE 5 was developed in Microsoft{reg_sign} Excel and is controlled by meansmore » of a simple, user-friendly graphical interface. Using the Solver routine built into Excel, FATE 5 is able to calibrate the attenuation rate used by the Domenico model to match site-specific data. By calibrating the decay rate to site-specific measurements, FATE 5 can yield accurate predictions of long-term natural attenuation processes within a groundwater within a groundwater plume. In addition, FATE 5 includes a formulation of the transient Domenico solution used to help the user determine if the steady-state assumptions employed by the model are appropriate. The calibrated groundwater flow model can then be used either to (i) predict upper-bound constituent concentrations in groundwater, based on an observed source zone concentration, or (ii) back-calculate a lower-bound SSTL value, based on a user-specified exposure point concentration at the groundwater point of exposure (POE). This paper reviews the major elements of the FATE 5 model - and gives results for real-world applications. Key modeling assumptions and summary guidelines regarding calculation procedures and input parameter selection are also addressed.« less

Microplastics in the environment: What can we learn from a decade of engineered nanoparticle fate and risk assessment?

NASA Astrophysics Data System (ADS)

Hüffer, T.; Praetorius, A.; Wagner, S.; von der Kammer, F.; Hofmann, T.

2016-12-01

The field of environmental fate and risk assessment is frequently dominated by "hot topics" of emerging contaminants; in recent years for example pharmaceuticals, nanomaterials or, most recently, microplastics. Since no emerging pollutant is entirely new, a careful assessment of existing knowledge on related substances can help us direct our research efforts and employ the limited resources in a more efficient way. Crucial questions on the environmental implications of microplastics, for example the need for analytical tools, adequate protocols to study their fate, or the effects of aging and a risk assessment based thereon remain largely unanswered. Over the last decade, the field of environmental implications of engineered nanoparticles (ENPs) has been facing similar challenges. The goal of this contribution is to suggest a road-map to pursue the risk assessment of microplastics based on our experience in one decade in ENPs research. We highlight how to avoid potential dead-ends in microplastics research. We also illustrate that cross-linking other research fields, especially polymer chemistry and material sciences, may facilitate filling the urgent knowledge gaps.

Volatilisation of pesticides under field conditions: inverse modelling and pesticide fate models.

PubMed

Houbraken, Michael; van den Berg, Frederik; Butler Ellis, Clare M; Dekeyser, Donald; Nuyttens, David; De Schampheleire, Mieke; Spanoghe, Pieter

2016-07-01

A substantial fraction of the applied crop protection products on crops is lost to the atmosphere. Models describing the prediction of volatility and potential fate of these substances in the environment have become an important tool in the pesticide authorisation procedure at the EU level. The main topic of this research is to assess the rate and extent of volatilisation of ten pesticides after application on field crops. For eight of the ten pesticides, the volatilisation rates modelled with PEARL (Pesticide Emission Assessment at Regional and Local scales) corresponded well to the calculated rates modelled with ADMS (Atmospheric Dispersion Modelling System). For the other pesticides, large differences were found between the models. Formulation might affect the volatilisation potential of pesticides. Increased leaf wetness increased the volatilisation of propyzamide and trifloxystrobin at the end of the field trial. The reliability of pesticide input parameters, in particular the vapour pressure, is discussed. Volatilisation of propyzamide, pyrimethanil, chlorothalonil, diflufenican, tolylfluanid, cyprodinil and E- and Z-dimethomorph from crops under realistic environmental conditions can be modelled with the PEARL model, as corroborated against field observations. Suggested improvements to the volatilisation component in PEARL should include formulation attributes and leaf wetness at the time of pesticide application. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

AGRO-2014: A time dependent model for assessing the fate and food-web bioaccumulation of organic pesticides in farm ponds: Model testing and performance analysis.

PubMed

Gobas, Frank A P C; Lai, Hao-Feng; Mackay, Donald; Padilla, Lauren E; Goetz, Andy; Jackson, Scott H

2018-10-15

A time-dependent environmental fate and food-web bioaccumulation model is developed to improve the evaluation of the behaviour of non-ionic hydrophobic organic pesticides in farm ponds. The performance of the model was tested by simulating the behaviour of 3 hydrophobic organic pesticides, i.e., metaflumizone (CAS Number: 139968-49-3), kresoxim-methyl (CAS Number: 144167-04-4) and pyraclostrobin (CAS Number: 175013-18-0), in microcosm studies and a Bluegill bioconcentration study for metaflumizone. In general, model-calculated concentrations of the pesticides were in reasonable agreement with the observed concentrations. Also, calculated bioaccumulation metrics were in good agreement with observed values. The model's application to simulate concentrations of organic pesticides in water, sediment and biota of farm ponds after episodic pesticide applications is illustrated. It is further shown that the time dependent model has substantially better accuracy in simulating the concentrations of pesticides in farm ponds resulting from episodic pesticide application than corresponding steady-state models. The time dependent model is particularly useful in describing the behaviour of highly hydrophobic pesticides that have a potential to biomagnify in aquatic food-webs. Copyright © 2018 Elsevier B.V. All rights reserved.

Validation and sensitivity of the FINE Bayesian network for forecasting aquatic exposure to nano-silver.

PubMed

Money, Eric S; Barton, Lauren E; Dawson, Joseph; Reckhow, Kenneth H; Wiesner, Mark R

2014-03-01

The adaptive nature of the Forecasting the Impacts of Nanomaterials in the Environment (FINE) Bayesian network is explored. We create an updated FINE model (FINEAgNP-2) for predicting aquatic exposure concentrations of silver nanoparticles (AgNP) by combining the expert-based parameters from the baseline model established in previous work with literature data related to particle behavior, exposure, and nano-ecotoxicology via parameter learning. We validate the AgNP forecast from the updated model using mesocosm-scale field data and determine the sensitivity of several key variables to changes in environmental conditions, particle characteristics, and particle fate. Results show that the prediction accuracy of the FINEAgNP-2 model increased approximately 70% over the baseline model, with an error rate of only 20%, suggesting that FINE is a reliable tool to predict aquatic concentrations of nano-silver. Sensitivity analysis suggests that fractal dimension, particle diameter, conductivity, time, and particle fate have the most influence on aquatic exposure given the current knowledge; however, numerous knowledge gaps can be identified to suggest further research efforts that will reduce the uncertainty in subsequent exposure and risk forecasts. Copyright © 2013 Elsevier B.V. All rights reserved.

Mercury and methylmercury stream concentrations in a Coastal Plain watershed: A multi-scale simulation analysis

USGS Publications Warehouse

Knightes, Christopher D.; Golden, Heather E.; Journey, Celeste A.; Davis, Gary M.; Conrads, Paul; Marvin-DiPasquale, Mark; Brigham, Mark E.; Bradley, Paul M.

2014-01-01

Mercury is a ubiquitous global environmental toxicant responsible for most US fish advisories. Processes governing mercury concentrations in rivers and streams are not well understood, particularly at multiple spatial scales. We investigate how insights gained from reach-scale mercury data and model simulations can be applied at broader watershed scales using a spatially and temporally explicit watershed hydrology and biogeochemical cycling model, VELMA. We simulate fate and transport using reach-scale (0.1 km2) study data and evaluate applications to multiple watershed scales. Reach-scale VELMA parameterization was applied to two nested sub-watersheds (28 km2 and 25 km2) and the encompassing watershed (79 km2). Results demonstrate that simulated flow and total mercury concentrations compare reasonably to observations at different scales, but simulated methylmercury concentrations are out-of-phase with observations. These findings suggest that intricacies of methylmercury biogeochemical cycling and transport are under-represented in VELMA and underscore the complexity of simulating mercury fate and transport.

THE FATE OF TRACE METALS IN A ROTARY KILN INCINERATOR WITH A VENTURI/PACKED COLUMN SCRUBBER - VOLUME II: APPENDICES

EPA Science Inventory

A 5-week series of pilot-scale incineration tests, employing a synthetic waste feed, was performed at the U.S. Environmental Protection Agency's Incineration Research Facility to evaluate the fate of trace metals fed to a rotary kiln incinerator equipped with a venturi scrubber/p...

Fate and Transport of Forestry Herbicides in the South: Research Knowledge and Needs

Treesearch

Jerry L. Michael; Daniel G. Neary

1991-01-01

A review of the fate and environmental risks associated with the use of hexazinone, imazapyr, sulfometuron methyl, and triclopyr in pine silviculture in the South is presented. Herbicides used in forestry can contaminate surface waters to varying degrees depending on the application rate , method of application, product formulation, and site specific...

Reach-scale predictions of the transport and fate of contaminants of emerging concern using a multi-tracer injection at Fourmile Creek (Ankeny, Iowa)

NASA Astrophysics Data System (ADS)

Cullin, J. A.; Ward, A. S.; Cwiertny, D. M.; Barber, L. B.; Kolpin, D. W.; Bradley, P. M.; Keefe, S. H.; Hubbard, L. E.

2013-12-01

Contaminants of emerging concern (CECs) are an unregulated suite of constituents possessing the potential to cause a host of reproductive and developmental problems in humans and wildlife. CECs are frequently detected in environmental waters. Degradation pathways of several CECs are well-characterized in idealized laboratory settings, but CEC fate and transport in complex field settings is poorly understood. In the present study we used a multi-tracer solute injection study to quantify physical transport, photodegradation, and sorption in a wastewater effluent-impacted stream. Conservative tracers were used to quantify physical transport processes in the stream. Use of reactive fluorescent tracers allows for isolation of the relative contribution of photodegradation and sorption within the system. Field data was used to calibrate a one-dimensional transport model allowing us to use forward modeling to predict the transport of sulfamethoxazole, an antibiotic documented to be present in the wastewater effluent and in Fourmile Creek which is susceptible to both sorption and photolysis. Forward modeling will predict both temporal persistence and spatial extent of sulfamethoxazole in Fourmile Creek

Impact of surface coating and environmental conditions on the fate and transport of silver nanoparticles in the aquatic environment.

PubMed

Ellis, Laura-Jayne A; Valsami-Jones, Eugenia; Lead, Jamie R; Baalousha, Mohammed

2016-10-15

The role of surface coating (polyvinylpyrrolidone (PVP) and citrate) and water chemistry on the fate and behavior of AgNPs in aquatic microcosms is reported in this study. The migration and transformation of the AgNPs was examined in low (ultrapure water-UPW) and high ionic strength (moderately hard water - MHW) preparations, and in the presence of modeled natural organic matter (NOM) of Suwannee River Fulvic Acid (SRFA). The migration and fate of the AgNPs in the microcosms was validated using a sedimentation-diffusion model and the aggregation behavior was monitored by UV-visible spectrometry (UV-vis). Dissolved and particulate Ag concentrations (% Ag) were analyzed by ultrafiltration methods. Imaging of the AgNPs was captured using transmission electron microscopy (TEM). Results indicate that PVP-coated AgNPs (PVP-AgNPs) remained stable for 28days with similarly distributed concentrations of the PVP-AgNPs throughout the columns in each of the water conditions after approximately 96h (4days). The sedimentation-diffusion model confirmed PVP-AgNP stability in each condition, by showing diffusion dominated transport by using the original unaltered AgNP sizes to fit the parameters. In comparison, citrate AgNPs were largely unstable in the more complex water preparations (MHW). In MHW, aggregation dominated behavior followed by sedimentation/dissolution controlled transport was observed. The addition of SRFA to MHW resulted in small stabilizing effects, to the citrate coated AgNPs, producing smaller sized AgNPs (TEM) and mixed sedimentation and diffusion migration compared the studies absent of SRFA. The results suggest that surface coating and solution chemistry has a major impact on AgNP stability, furthermore the corresponding modeling will support the experimental understanding of the overall fate of AgNPs in the environment. Copyright © 2016 Elsevier B.V. All rights reserved.

A Mercury Transport and Fate Model for Mass Budget Assessment of Mercury Cycling in Lake Michigan

EPA Science Inventory

A mercury mass balance model was developed to describe and evaluate the fate, transport, and biogeochemical transformations of mercury in Lake Michigan. Coupling with total suspendable solids (TSS) and dissolved organic carbon (DOC), the mercury transport and fate model simulates...

Application of TREECS (trademark) to Strontium 90 for Borschi Watershed near Chernobyl, Ukraine

DTIC Science & Technology

2012-08-01

near Chernobyl , Ukraine by Mark S. Dortch PURPOSE: The Training Range Environmental Evaluation and Characterization System (TREECS™) (http... Chernobyl Nuclear Power Plant, Ukraine. At this site, TREECS™ was used as a modeling tool to predict the fate of radionuclides. This application also...Web site noted above. Borschi watershed is located 3 km south of the Chernobyl Nuclear Power Plant (Figure 1). Radio- strontium-90, 90Sr, which is a

Synchrotron Speciation Of Silver And Zinc Oxide Nanoparticles Aged In A Kaolin Suspension

EPA Science Inventory

Assessments of the environmental fate and mobility of nanoparticles must consider the behavior of nanoparticles in relevant environmental systems that may result in speciation changes over time. Environmental conditions may act on nanoparticles to change their size, shape, and s...

Implications of the Fukushima Nuclear Disaster: Man-Made Hazards, Vulnerability Factors, and Risk to Environmental Health.

PubMed

Eddy, Christopher; Sase, Eriko

2015-01-01

The objective of this article was to examine the environmental health implications of the 2011 Fukushima nuclear disaster from an all-hazards perspective. The authors performed a literature review that included Japanese and international nuclear guidance and policy, scientific papers, and reports on the Chernobyl and Three Mile Island disasters while also considering all-hazards preparedness rubrics in the U.S. The examination of the literature resulted in the following: a) the authors' "All-Hazards Planning Reference Model" that distinguishes three planning categories-Disaster Trigger Event, Man-Made Hazards, and Vulnerability Factors; b) the generalization of their model to other countries; and c) advocacy for environmental health end fate to be considered in planning phases to minimize risk to environmental health. This article discusses inconsistencies in disaster planning and nomenclature existing in the studied materials and international guidance and proposes new opportunity for developing predisaster risk assessment, risk communication, and prevention capacity building.

Framework for Risk Analysis in Multimedia Environmental Systems: Modeling Individual Steps of a Risk Assessment Process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shah, Anuj; Castleton, Karl J.; Hoopes, Bonnie L.

2004-06-01

The study of the release and effects of chemicals in the environment and their associated risks to humans is central to public and private decision making. FRAMES 1.X, Framework for Risk Analysis in Multimedia Environmental Systems, is a systems modeling software platform, developed by PNNL, Pacific Northwest National Laboratory, that helps scientists study the release and effects of chemicals on a source to outcome basis, create environmental models for similar risk assessment and management problems. The unique aspect of FRAMES is to dynamically introduce software modules representing individual components of a risk assessment (e.g., source release of contaminants, fate andmore » transport in various environmental media, exposure, etc.) within a software framework, manipulate their attributes and run simulations to obtain results. This paper outlines the fundamental constituents of FRAMES 2.X, an enhanced version of FRAMES 1.X, that greatly improve the ability of the module developers to “plug” their self-developed software modules into the system. The basic design, the underlying principles and a discussion of the guidelines for module developers are presented.« less

Environmental setting of Maple Creek watershed, Nebraska

USGS Publications Warehouse

Fredrick, Brian S.; Linard, Joshua I.; Carpenter, Jennifer L.

2006-01-01

The Maple Creek watershed covers a 955-square-kilometer area in eastern Nebraska, which is a region dominated by agricultural land use. The Maple Creek watershed is one of seven areas currently included in a nationwide study of the sources, transport, and fate of water and chemicals in agricultural watersheds. This study, known as the topical study of 'Agricultural Chemicals: Sources, Transport, and Fate' is part of the National Water-Quality Assessment Program being conducted by the U.S. Geological Survey. The Program is designed to describe water-quality conditions and trends based on representative surface- and ground-water resources across the Nation. The objective of the Agricultural Chemicals topical study is to investigate the sources, transport, and fate of selected agricultural chemicals in a variety of agriculturally diverse environmental settings. The Maple Creek watershed was selected for the Agricultural Chemicals topical study because its watershed represents the agricultural setting that characterizes eastern Nebraska. This report describes the environmental setting of the Maple Creek watershed in the context of how agricultural practices, including agricultural chemical applications and irrigation methods, interface with natural settings and hydrologic processes. A description of the environmental setting of a subwatershed within the drainage area of Maple Creek is included to improve the understanding of the variability of hydrologic and chemical cycles at two different scales.

Comparative and Predictive Multimedia Assessments Using Monte Carlo Uncertainty Analyses

NASA Astrophysics Data System (ADS)

Whelan, G.

2002-05-01

Multiple-pathway frameworks (sometimes referred to as multimedia models) provide a platform for combining medium-specific environmental models and databases, such that they can be utilized in a more holistic assessment of contaminant fate and transport in the environment. These frameworks provide a relatively seamless transfer of information from one model to the next and from databases to models. Within these frameworks, multiple models are linked, resulting in models that consume information from upstream models and produce information to be consumed by downstream models. The Framework for Risk Analysis in Multimedia Environmental Systems (FRAMES) is an example, which allows users to link their models to other models and databases. FRAMES is an icon-driven, site-layout platform that is an open-architecture, object-oriented system that interacts with environmental databases; helps the user construct a Conceptual Site Model that is real-world based; allows the user to choose the most appropriate models to solve simulation requirements; solves the standard risk paradigm of release transport and fate; and exposure/risk assessments to people and ecology; and presents graphical packages for analyzing results. FRAMES is specifically designed allow users to link their own models into a system, which contains models developed by others. This paper will present the use of FRAMES to evaluate potential human health exposures using real site data and realistic assumptions from sources, through the vadose and saturated zones, to exposure and risk assessment at three real-world sites, using the Multimedia Environmental Pollutant Assessment System (MEPAS), which is a multimedia model contained within FRAMES. These real-world examples use predictive and comparative approaches coupled with a Monte Carlo analysis. A predictive analysis is where models are calibrated to monitored site data, prior to the assessment, and a comparative analysis is where models are not calibrated but based solely on literature or judgement and is usually used to compare alternatives. In many cases, a combination is employed where the model is calibrated to a portion of the data (e.g., to determine hydrodynamics), then used to compare alternatives. Three subsurface-based multimedia examples are presented, increasing in complexity. The first presents the application of a predictive, deterministic assessment; the second presents a predictive and comparative, Monte Carlo analysis; and the third presents a comparative, multi-dimensional Monte Carlo analysis. Endpoints are typically presented in terms of concentration, hazard, risk, and dose, and because the vadose zone model typically represents a connection between a source and the aquifer, it does not generally represent the final medium in a multimedia risk assessment.

Evaluating biomarkers to model cancer risk post cosmic ray exposure

PubMed Central

Sridhara, Deepa M.; Asaithamby, Aroumougame; Blattnig, Steve R.; Costes, Sylvain V.; Doetsch, Paul W.; Dynan, William S.; Hahnfeldt, Philip; Hlatky, Lynn; Kidane, Yared; Kronenberg, Amy; Naidu, Mamta D.; Peterson, Leif E.; Plante, Ianik; Ponomarev, Artem L.; Saha, Janapriya; Snijders, Antoine M.; Srinivasan, Kalayarasan; Tang, Jonathan; Werner, Erica; Pluth, Janice M.

2017-01-01

Robust predictive models are essential to manage the risk of radiation-induced carcinogenesis. Chronic exposure to cosmic rays in the context of the complex deep space environment may place astronauts at high cancer risk. To estimate this risk, it is critical to understand how radiation-induced cellular stress impacts cell fate decisions and how this in turn alters the risk of carcinogenesis. Exposure to the heavy ion component of cosmic rays triggers a multitude of cellular changes, depending on the rate of exposure, the type of damage incurred and individual susceptibility. Heterogeneity in dose, dose rate, radiation quality, energy and particle flux contribute to the complexity of risk assessment. To unravel the impact of each of these factors, it is critical to identify sensitive biomarkers that can serve as inputs for robust modeling of individual risk of cancer or other long-term health consequences of exposure. Limitations in sensitivity of biomarkers to dose and dose rate, and the complexity of longitudinal monitoring, are some of the factors that increase uncertainties in the output from risk prediction models. Here, we critically evaluate candidate early and late biomarkers of radiation exposure and discuss their usefulness in predicting cell fate decisions. Some of the biomarkers we have reviewed include complex clustered DNA damage, persistent DNA repair foci, reactive oxygen species, chromosome aberrations and inflammation. Other biomarkers discussed, often assayed for at longer points post exposure, include mutations, chromosome aberrations, reactive oxygen species and telomere length changes. We discuss the relationship of biomarkers to different potential cell fates, including proliferation, apoptosis, senescence, and loss of stemness, which can propagate genomic instability and alter tissue composition and the underlying mRNA signatures that contribute to cell fate decisions. Our goal is to highlight factors that are important in choosing biomarkers and to evaluate the potential for biomarkers to inform models of post exposure cancer risk. Because cellular stress response pathways to space radiation and environmental carcinogens share common nodes, biomarker-driven risk models may be broadly applicable for estimating risks for other carcinogens. PMID:27345199

Evaluating biomarkers to model cancer risk post cosmic ray exposure

NASA Astrophysics Data System (ADS)

Sridharan, Deepa M.; Asaithamby, Aroumougame; Blattnig, Steve R.; Costes, Sylvain V.; Doetsch, Paul W.; Dynan, William S.; Hahnfeldt, Philip; Hlatky, Lynn; Kidane, Yared; Kronenberg, Amy; Naidu, Mamta D.; Peterson, Leif E.; Plante, Ianik; Ponomarev, Artem L.; Saha, Janapriya; Snijders, Antoine M.; Srinivasan, Kalayarasan; Tang, Jonathan; Werner, Erica; Pluth, Janice M.

2016-06-01

Robust predictive models are essential to manage the risk of radiation-induced carcinogenesis. Chronic exposure to cosmic rays in the context of the complex deep space environment may place astronauts at high cancer risk. To estimate this risk, it is critical to understand how radiation-induced cellular stress impacts cell fate decisions and how this in turn alters the risk of carcinogenesis. Exposure to the heavy ion component of cosmic rays triggers a multitude of cellular changes, depending on the rate of exposure, the type of damage incurred and individual susceptibility. Heterogeneity in dose, dose rate, radiation quality, energy and particle flux contribute to the complexity of risk assessment. To unravel the impact of each of these factors, it is critical to identify sensitive biomarkers that can serve as inputs for robust modeling of individual risk of cancer or other long-term health consequences of exposure. Limitations in sensitivity of biomarkers to dose and dose rate, and the complexity of longitudinal monitoring, are some of the factors that increase uncertainties in the output from risk prediction models. Here, we critically evaluate candidate early and late biomarkers of radiation exposure and discuss their usefulness in predicting cell fate decisions. Some of the biomarkers we have reviewed include complex clustered DNA damage, persistent DNA repair foci, reactive oxygen species, chromosome aberrations and inflammation. Other biomarkers discussed, often assayed for at longer points post exposure, include mutations, chromosome aberrations, reactive oxygen species and telomere length changes. We discuss the relationship of biomarkers to different potential cell fates, including proliferation, apoptosis, senescence, and loss of stemness, which can propagate genomic instability and alter tissue composition and the underlying mRNA signatures that contribute to cell fate decisions. Our goal is to highlight factors that are important in choosing biomarkers and to evaluate the potential for biomarkers to inform models of post exposure cancer risk. Because cellular stress response pathways to space radiation and environmental carcinogens share common nodes, biomarker-driven risk models may be broadly applicable for estimating risks for other carcinogens.

Evaluating biomarkers to model cancer risk post cosmic ray exposure.

PubMed

Sridharan, Deepa M; Asaithamby, Aroumougame; Blattnig, Steve R; Costes, Sylvain V; Doetsch, Paul W; Dynan, William S; Hahnfeldt, Philip; Hlatky, Lynn; Kidane, Yared; Kronenberg, Amy; Naidu, Mamta D; Peterson, Leif E; Plante, Ianik; Ponomarev, Artem L; Saha, Janapriya; Snijders, Antoine M; Srinivasan, Kalayarasan; Tang, Jonathan; Werner, Erica; Pluth, Janice M

2016-06-01

Robust predictive models are essential to manage the risk of radiation-induced carcinogenesis. Chronic exposure to cosmic rays in the context of the complex deep space environment may place astronauts at high cancer risk. To estimate this risk, it is critical to understand how radiation-induced cellular stress impacts cell fate decisions and how this in turn alters the risk of carcinogenesis. Exposure to the heavy ion component of cosmic rays triggers a multitude of cellular changes, depending on the rate of exposure, the type of damage incurred and individual susceptibility. Heterogeneity in dose, dose rate, radiation quality, energy and particle flux contribute to the complexity of risk assessment. To unravel the impact of each of these factors, it is critical to identify sensitive biomarkers that can serve as inputs for robust modeling of individual risk of cancer or other long-term health consequences of exposure. Limitations in sensitivity of biomarkers to dose and dose rate, and the complexity of longitudinal monitoring, are some of the factors that increase uncertainties in the output from risk prediction models. Here, we critically evaluate candidate early and late biomarkers of radiation exposure and discuss their usefulness in predicting cell fate decisions. Some of the biomarkers we have reviewed include complex clustered DNA damage, persistent DNA repair foci, reactive oxygen species, chromosome aberrations and inflammation. Other biomarkers discussed, often assayed for at longer points post exposure, include mutations, chromosome aberrations, reactive oxygen species and telomere length changes. We discuss the relationship of biomarkers to different potential cell fates, including proliferation, apoptosis, senescence, and loss of stemness, which can propagate genomic instability and alter tissue composition and the underlying mRNA signatures that contribute to cell fate decisions. Our goal is to highlight factors that are important in choosing biomarkers and to evaluate the potential for biomarkers to inform models of post exposure cancer risk. Because cellular stress response pathways to space radiation and environmental carcinogens share common nodes, biomarker-driven risk models may be broadly applicable for estimating risks for other carcinogens. Copyright © 2016 The Committee on Space Research (COSPAR). All rights reserved.

A COMPREHENSIVE ANALYSIS OF CHLORINE TRANSPORT AND FATE FOLLOWING A LARGE ENVIRONMENTAL RELEASE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buckley, R.; Hunter, C.; Werth, D.

2011-05-10

A train derailment occurred in Graniteville, South Carolina during the early morning of January 6, 2005, and resulted in the release of a large amount of cryogenic pressurized liquid chlorine to the environment in a short time period. A comprehensive evaluation of the transport and fate of the released chlorine was performed, accounting for dilution, diffusion, transport and deposition into the local environment. This involved the characterization of a three-phased chlorine release, a detailed determination of local atmospheric mechanisms acting on the released chlorine, the establishment of atmospheric-hydrological physical exchange mechanisms, and aquatic dilution and mixing. This presentation will providemore » an overview of the models used in determining the total air-to-water mass transfer estimated to have occurred as a result of the roughly 60 tons of chlorine released into the atmosphere from the train derailment. The assumptions used in the modeling effort will be addressed, along with a comparison with available observational data to validate the model results. Overall, model-estimated chlorine concentrations in the airborne plume compare well with human and animal exposure data collected in the days after the derailment.« less

Estimation of plant protection product application dates for environmental fate modeling based on phenological stages of crops.

PubMed

Gericke, Dirk; Nekovar, Jiri; Horold, Claudia

2010-10-01

According to the EU directive 91/414/EEC potential environmental concentrations of pesticides have to be assessed with environmental fate models. For the calculation of pesticide concentrations it is necessary to provide an application date which has to match the specific Biologische Bundesanstalt, Bundesamt, Chemische Industrie (BBCH) stage at which the pesticide shall be applied. If these application dates are not available for a specific stage, crop and country they must be estimated, which adds an additional uncertainty to the predicted concentrations. In the present study, we therefore evaluate to which extent application dates can be derived from phenological data. For this analysis phenological data, converted to BBCH stages, of two field crops provided by the German Weather Service (DWD) were analyzed. We found a linear correlation between BBCH stages and the respective appearance dates, which can be used for interpolation of appearance dates of specific BBCH stages. Remarkably, when comparing BBCH stages from Germany and the Czech Republic almost identical correlations of appearance dates and BBCH stages were found. In the next step, soil and climate data from Joint Research Centre (JRC) were analyzed together with phenological data in order to evaluate if BBCH stages can be estimated for countries with other climate or soil conditions. This analysis revealed that temperature, global radiation and evaporation were the parameters with the strongest impact. These parameters were used for estimating appearance dates of BBCH stages for other countries. Exemplarily, appearance dates for maize BBCH were calculated for Italy. Estimated and observed appearance dates showed a high concordance (on average six days difference). Finally, the political of impact a variation of a few days on calculated pesticide concentration was analyzed. Exemplarily, the pesticide fate model FOCUS PEARL was used to estimate pesticide groundwater concentrations. When calculating concentrations for application dates varying by ± two weeks, concentrations in groundwater usually varied very little. The highest variation was found for application at BBCH 30 in maize (6.6 % variation over all scenarios). These results showed that the uncertainty included in the estimation of appearance dates of BBCH stages for other countries has a relatively small effect on the results of PEARL and consequentially on the decision of the pesticide risk assessment by changing only the application date.

Fate of triazoles in softwood upon environmental exposure.

PubMed

Kukowski, Klara; Martinská, Veronika; Sedgeman, Carl A; Kuplic, Paige; Kozliak, Evguenii I; Fisher, Stephen; Kubátová, Alena

2017-10-01

Determining the fate of preservatives in commercial wood products is essential to minimize their losses and improve protective impregnation techniques. The fate of triazole fungicides in ponderosa pine wood was investigated in both outdoor and controlled-environment experiments using a representative triazole, tebuconazole (TAZ), which was accompanied by propiconazole (PAZ) in selected experiments. The study was designed to mimic industrial settings used in window frame manufacturing. To investigate the TAZ fate in detail, loosely and strongly bound fractions were differentiated using a multi-step extraction. The loosely bound TAZ fraction extracted through two sonications accounted for 85± 5% of the total TAZ, while the strongly bound TAZ was extracted only with an exhaustive Soxhlet extraction and corresponded to the remaining 15± 5%. A significant fraction (∼80%) of the original TAZ remained in the wood despite a six-month exposure to harsh environmental conditions, maintaining wood preservation and assuring minimal environmental impact. Depletion of loosely bound TAZ was observed from cross-sectional surfaces when exposed to rain, high humidity and sunlight. Water leaching was deemed to be the major route leading to triazole losses from wood. Leaching rate was found to be slightly higher for TAZ than for PAZ. The contribution of bio-, photo- and thermal degradation of triazoles was negligible as both PAZ and TAZ sorbed in wood remained intact. Triazole evaporation was also found to be minor at the moderate temperature (20-25 °C) recorded throughout the outdoor study. Copyright © 2017 Elsevier Ltd. All rights reserved.

Environmental Chemistry Methods (ECM) Index - Q

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with Q as the first character.

Environmental Chemistry Methods (ECM) Index - D

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with D as the first character.

Environmental Chemistry Methods (ECM) Index - N

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with N as the first character.

Environmental Chemistry Methods (ECM) Index - P

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with P as the first character.

Environmental Chemistry Methods (ECM) Index - L

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with L as the first character.

Environmental Chemistry Methods (ECM) Index - T

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with T as the first character.

Environmental Chemistry Methods (ECM) Index - A

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with A as the first character.

Environmental Chemistry Methods (ECM) Index - E

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with E as the first character.

Environmental Chemistry Methods (ECM) Index - O

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with O as the first character.

Environmental Chemistry Methods (ECM) Index - Z

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with Z as the first character.

Environmental Chemistry Methods (ECM) Index - I

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with I as the first character.

Environmental Chemistry Methods (ECM) Index - S

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with S as the first character.

Environmental Chemistry Methods (ECM) Index - K

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with K as the first character.

Environmental Chemistry Methods (ECM) Index - R

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with R as the first character.

Exposure Science and Its Applications for Effective Environmental Management

EPA Science Inventory

Exposure is the link between environmental pollution and human/ecosystem health. Exposure science entails understanding the scientific processes that affect source emissions, transport and fate, spatio-temporal variability in the ambient concentrations, levels of contaminants tha...

CHIRAL CHLORDANE SIGNATURES IN USGS NATIONAL WATER-QUALITY ASSESSMENT PROGRAM SEDIMENT SAMPLES

EPA Science Inventory

More than 260 important environmental contaminants are chiral (having structures that are nonsuperimposible mirror images). Although enantiomer pairs have identical physical-chemical properties, their toxicity, biodegradation, and environmental fate often are different. Cyclodex...

Environmental Chemistry Methods (ECM) Index - G

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with G as the first character.

Environmental Chemistry Methods (ECM) Index - F

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with F as the first character.

Environmental Chemistry Methods (ECM) Index - B

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with B as the first character.

Environmental Chemistry Methods (ECM) Index - M

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with M as the first character.

40 CFR 161.20 - Overview.

Code of Federal Regulations, 2010 CFR

2010-07-01

... product chemistry, residue chemistry, environmental fate, toxicology, reentry protection, aerial drift... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Overview. 161.20 Section 161.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS DATA REQUIREMENTS...

Environmental Chemistry Methods (ECM) Index - C

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with C as the first character.

Environmental Chemistry Methods (ECM) Index - H

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with H as the first character.

Screening for potentially hazardous PRTR chemicals in the Lake Biwa-Yodo River basin of Japan using a one-box multimedia model.

PubMed

Ariyadasa, B H A K T; Kondo, Akira; Inoue, Yoshio

2015-02-01

A system is needed to predict the behavior, fate, and occurrence of environmental pollutants for effective environmental monitoring. Available monitoring data and computational modeling were used to develop a one-box multimedia model based on the mass balance of the emitted chemicals. Eight physiochemical phenomena in the atmosphere, soil, water, and sediment were considered in this model. This study was carried out in the Lake Biwa-Yodo River basin which provides multiple land uses and also the natural water resource for nearly 13 million of population in the region. Annual emissions for 214 nonmetallic compounds were calculated using the chemical emission data on Japanese pollutant release and transfer registry and used for executing the model simulations for 1997, 2002, and 2008 as input data. The calculated chemical concentrations by the model for all the environmental media were analyzed to determine trends in concentration over this study span. The majority of the chemicals decreased in concentration over time. Among the 214 nonmetallic chemical pollutants, 36 chemicals did not decrease in concentration and were in the top 10 % for concentration on average. Of these 36 pollutants, 7 occur in all 4 environmental media and pose a potential health risk at humans in the Lake Biwa-Yodo River basin.

A review of quantitative structure-property relationships for the fate of ionizable organic chemicals in water matrices and identification of knowledge gaps.

PubMed

Nolte, Tom M; Ragas, Ad M J

2017-03-22

Many organic chemicals are ionizable by nature. After use and release into the environment, various fate processes determine their concentrations, and hence exposure to aquatic organisms. In the absence of suitable data, such fate processes can be estimated using Quantitative Structure-Property Relationships (QSPRs). In this review we compiled available QSPRs from the open literature and assessed their applicability towards ionizable organic chemicals. Using quantitative and qualitative criteria we selected the 'best' QSPRs for sorption, (a)biotic degradation, and bioconcentration. The results indicate that many suitable QSPRs exist, but some critical knowledge gaps remain. Specifically, future focus should be directed towards the development of QSPR models for biodegradation in wastewater and sediment systems, direct photolysis and reaction with singlet oxygen, as well as additional reactive intermediates. Adequate QSPRs for bioconcentration in fish exist, but more accurate assessments can be achieved using pharmacologically based toxicokinetic (PBTK) models. No adequate QSPRs exist for bioconcentration in non-fish species. Due to the high variability of chemical and biological species as well as environmental conditions in QSPR datasets, accurate predictions for specific systems and inter-dataset conversions are problematic, for which standardization is needed. For all QSPR endpoints, additional data requirements involve supplementing the current chemical space covered and accurately characterizing the test systems used.

Influence des melanges complexes organiques sur le sort des dioxines et furanes: Implications dans le developpement de facteurs de caracterisation en analyse du cycle de vie

NASA Astrophysics Data System (ADS)

Taing, Eric

The environmental fate of dioxins and furans, or polychlorodibenzo-p-dioxins and -furans (PCDD/Fs), leaching from wood poles treated with pentachlorophenol (PCP) oil is modified by the presence of oil. Interactions between co-contaminants, which also exist for other pollutants within the mixtures, were shown in the specific context of risk analysis, but have never been taken into account for the generic context of life cycle assessment (LCA). This decision-making tool relies on characterization factors (CF) to estimate the potential impacts of an emitted amount of a pollutant in different impact categories such as aquatic ecotoxicity and human toxicity. For these two impact categories, CFs are calculated from a cause-effect chain that models the environmental fate, exposure and effects of the pollutant (represented by a matrix of fate FF, exposure XF and effect EF, respectively), meaning that a modification of PCDD/Fs fate induces a change in PCDD/Fs CFs. The research question is therefore as follows: In life cycle impact assessment (LCIA), to what extent would the potential impacts of PCDD/Fs on aquatic ecotoxicity and human toxicity change when taking into account the influence of a complex organic mixture on PCDD/Fs fate?. Thus, the main objective is to develop CFs of PCDD/Fs when their fate is influenced by PCP oil and compare them with the CFs of PCDD/Fs without oil for the aquatic ecotoxicity and human toxicity impact categories. A mathematic approach is established to determine the new environmental distribution of PCDD/Fs in the presence of oil and a new FF' matrix is calculated from this new distribution to obtain new CFs' integrating oil influence. FF' and CF' are then compared to FF and CF of PCDD/Fs without the oil. Finally, potential (eco)toxic impacts of the PCDD/F Canadian emissions are calculated with the new CFs' of PCDD/Fs in presence of oil. By only focusing on the results for an emission into air, freshwater and natural soil on a continental scale, the overall elimination fractions of 2,3,7,8-TCDD changed significantly. For the three emissions, organic fractions increased the overall elimination fraction of 2,3,7,8-TCDD into the continental air compartment, induced by a higher volatility of organic fractions than 2,3,7,8-TCDD: for an emission into continental air, organic fractions increased the overall elimination fraction of 2,3,7,8-TCDD in the continental air from 29% to 49% at most. For an emission into continental freshwater, 2,3,7,8-TCDD fate was mainly influenced by two groups of organic fractions: the lightest ones that volatilize into continental air (overall elimination fraction of 2,3,7,8-TCDD increasing from 2% to 35%) and the heaviest ones that are removed by sedimentation (DTCDD,fwC,fwC from 87% up to 96%). Therefore, an approach has been proposed to represent the carrier behaviour of the oil for PCDD/Fs. PCDD/F potential impacts in aquatic ecotoxicity and human toxicity change in a range up to two orders of magnitude depending on the emitting compartment (except for the seawater and ocean compartments). As 2,3,7,8-TCDD is one of the most toxic pollutant, this changing is significant in LCA. To assess the validity of the model's result, it is recommended to carry out laboratory experiments on the PCDD/F volatilization with oil. In addition, it could be interesting to integrate the influence of PCP on PCDD/Fs fate and, more broadly, the influence of all cocontaminants on PCDD/Fs exposure and effects. Moreover having a unique CFeco and CF tox via a weighting of the 17 CF'eco and the 17 CF' tox, respectively, is necessary for a use in LCA. Unfortunately the variability of the composition makes the weighting difficult, so it is suggested to calculate the mean CF'eco and CF'tox. Finally this research could be carried out on other pollutants whose fate is known to be modified by a complex organic mixture in an effort to ensure that impact characterization better reflects reality. (Abstract shortened by UMI.).

Describing the environmental fate of diuron in a tropical river catchment.

PubMed

Camenzuli, Louise; Scheringer, Martin; Gaus, Caroline; Ng, Carla A; Hungerbühler, Konrad

2012-12-01

The use of the herbicide diuron on sugarcane fields along the river catchments of the Great Barrier Reef (GBR) in Australia is an issue of concern due to high levels of diuron reported in the GBR lagoon, and has recently led to a restriction on the use of diuron during the 2011/12 wet season. An important question in this context is how much diuron is mobilised from the agricultural area by strong rainfall and floods in the wet season and transferred to the GBR lagoon. We have set up a multimedia chemical fate model for a tropical catchment to describe the fate of diuron within the Tully River catchment, Queensland, Australia. The model includes highly variable rainfall based on meteorological data from the Tully River catchment and a flood water compartment on top of the agricultural soil that is present during times for which floods were reported. The model is driven by diuron application data estimated for the Tully River catchment and is solved for time-dependent diuron concentrations in agricultural soil and seawater. Model results show that on average 25% of the diuron applied every year is transferred to the GBR lagoon with rainwater and flood water runoff. Diuron concentrations estimated for the seawater range from 0.1 ng/L to 12 ng/L and are in good agreement with concentrations measured in the GBR lagoon. The uncertainty of the diuron concentrations estimated for seawater is approximately a factor of two and mainly derives from uncertainty in the diuron degradation half-life in soil, properties of the soil compartment such as organic matter content, and the speed of the seawater current removing diuron dissolved in seawater from the seawater compartment of the model. Copyright © 2012 Elsevier B.V. All rights reserved.

Combining exposure and effect modeling into an integrated probabilistic environmental risk assessment for nanoparticles.

PubMed

Jacobs, Rianne; Meesters, Johannes A J; Ter Braak, Cajo J F; van de Meent, Dik; van der Voet, Hilko

2016-12-01

There is a growing need for good environmental risk assessment of engineered nanoparticles (ENPs). Environmental risk assessment of ENPs has been hampered by lack of data and knowledge about ENPs, their environmental fate, and their toxicity. This leads to uncertainty in the risk assessment. To deal with uncertainty in the risk assessment effectively, probabilistic methods are advantageous. In the present study, the authors developed a method to model both the variability and the uncertainty in environmental risk assessment of ENPs. This method is based on the concentration ratio and the ratio of the exposure concentration to the critical effect concentration, both considered to be random. In this method, variability and uncertainty are modeled separately so as to allow the user to see which part of the total variation in the concentration ratio is attributable to uncertainty and which part is attributable to variability. The authors illustrate the use of the method with a simplified aquatic risk assessment of nano-titanium dioxide. The authors' method allows a more transparent risk assessment and can also direct further environmental and toxicological research to the areas in which it is most needed. Environ Toxicol Chem 2016;35:2958-2967. © 2016 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. © 2016 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.

Assessing the fate and effects of an insecticidal formulation.

PubMed

de Perre, Chloé; Williard, Karl W J; Schoonover, Jon E; Young, Bryan G; Murphy, Tracye M; Lydy, Michael J

2015-01-01

A 3-yr study was conducted on a corn field in central Illinois, USA, to understand the fate and effects of an insecticidal formulation containing the active ingredients phostebupirim and cyfluthrin. The objectives were to determine the best tillage practice (conventional vs conservation tillage) in terms of grain yields and potential environmental risk, to assess insecticidal exposure using concentrations measured in soil and runoff water and sediments, to compare measured insecticidal concentrations with predicted concentrations from selected risk assessment exposure models, and to calculate toxicity benchmarks from laboratory bioassays performed on reference aquatic and terrestrial nontarget organisms, using individual active ingredients and the formulation. Corn grain yields were not significantly different based on tillage treatment. Similarly, field concentrations of insecticides were not significantly (p > 0.05) different in strip tillage versus conventional tillage, suggesting that neither of the tillage systems would enable greater environmental risk from the insecticidal formulation. Risk quotients were calculated from field concentrations and toxicity data to determine potential risk to nontarget species. The insecticidal formulation used at the recommended rate resulted in soil, sediment, and water concentrations that were potentially harmful to aquatic and terrestrial invertebrates, if exposure occurred, with risk quotients up to 34. © 2014 SETAC.

Fate and potential environmental effects of methylenediphenyl diisocyanate and toluene diisocyanate released into the atmosphere.

PubMed

Tury, Bernard; Pemberton, Denis; Bailey, Robert E

2003-01-01

Information from a variety of sources has been collected and summarized to facilitate an overview of the atmospheric fate and potential environmental effects of emissions of methylenediphenyl diisocyanate (MDI) or toluene diisocyanate (TDI) to the atmosphere. Atmospheric emissions of both MDI and TDI are low, both in terms of concentration and mass, because of their low volatility and the need for careful control over all aspects of their lifecycle from manufacture through disposal. Typical emission losses for TDI are 25 g/t of TDI used in slabstock foam production. MDI emission losses are lower, often less than 1 g/t of MDI used. Dispersion modeling predicts that concentrations at the fenceline or beyond are very low for typical releases. Laboratory studies show that TDI (and by analogy MDI) does not react with water in the gas phase at a significant rate. The primary degradation reaction of these aromatic diisocyanates in the atmosphere is expected to be oxidation by OH radicals with an estimated half-life of one day. Laboratory studies also show that this reaction is not expected to result in increased ground-level ozone accumulation.

Volatile hydrocarbons and fuel oxygenates: Chapter 12

USGS Publications Warehouse

Cozzarelli, Isabelle M.

2014-01-01

Petroleum hydrocarbons and fuel oxygenates are among the most commonly occurring and widely distributed contaminants in the environment. This chapter presents a summary of the sources, transport, fate, and remediation of volatile fuel hydrocarbons and fuel additives in the environment. Much research has focused on the transport and transformation processes of petroleum hydrocarbons and fuel oxygenates, such as benzene, toluene, ethylbenzene, and xylenes and methyl tert‐butyl ether, in groundwater following release from underground storage tanks. Natural attenuation from biodegradation limits the movement of these contaminants and has received considerable attention as an environmental restoration option. This chapter summarizes approaches to environmental restoration, including those that rely on natural attenuation, and also engineered or enhanced remediation. Researchers are increasingly combining several microbial and molecular-based methods to give a complete picture of biodegradation potential and occurrence at contaminated field sites. New insights into the fate of petroleum hydrocarbons and fuel additives have been gained by recent advances in analytical tools and approaches, including stable isotope fractionation, analysis of metabolic intermediates, and direct microbial evidence. However, development of long-term detailed monitoring programs is required to further develop conceptual models of natural attenuation and increase our understanding of the behavior of contaminant mixtures in the subsurface.

Fate of a mutation in a fluctuating environment

PubMed Central

Cvijović, Ivana; Good, Benjamin H.; Jerison, Elizabeth R.; Desai, Michael M.

2015-01-01

Natural environments are never truly constant, but the evolutionary implications of temporally varying selection pressures remain poorly understood. Here we investigate how the fate of a new mutation in a fluctuating environment depends on the dynamics of environmental variation and on the selective pressures in each condition. We find that even when a mutation experiences many environmental epochs before fixing or going extinct, its fate is not necessarily determined by its time-averaged selective effect. Instead, environmental variability reduces the efficiency of selection across a broad parameter regime, rendering selection unable to distinguish between mutations that are substantially beneficial and substantially deleterious on average. Temporal fluctuations can also dramatically increase fixation probabilities, often making the details of these fluctuations more important than the average selection pressures acting on each new mutation. For example, mutations that result in a trade-off between conditions but are strongly deleterious on average can nevertheless be more likely to fix than mutations that are always neutral or beneficial. These effects can have important implications for patterns of molecular evolution in variable environments, and they suggest that it may often be difficult for populations to maintain specialist traits, even when their loss leads to a decline in time-averaged fitness. PMID:26305937

The influence of global climate change on the environmental fate of persistent organic pollutants: A review with emphasis on the Northern Hemisphere and the Arctic as a receptor

NASA Astrophysics Data System (ADS)

Ma, Jianmin; Hung, Hayley; Macdonald, Robie W.

2016-11-01

Following worldwide bans and restrictions on the use of many persistent organic pollutants (POPs) from the late 1970s, their regional and global distributions have become governed increasingly by phase partitioning between environmental reservoirs, such as air, water, soil, vegetation and ice, where POPs accumulated during the original applications. Presently, further transport occurs within the atmospheric and aquatic reservoirs. Increasing temperatures provide thermodynamic forcing to drive these chemicals out of reservoirs, like soil, vegetation, water and ice, and into the atmosphere where they can be transported rapidly by winds and then recycled among environmental media to reach locations where lower temperatures prevail (e.g., polar regions and high elevations). Global climate change, widely considered as global warming, is also manifested by changes in hydrological systems and in the cryosphere; with the latter now exhibiting widespread loss of ice cover on the Arctic Ocean and thawing of permafrost. All of these changes alter the cycling and fate of POPs. There is abundant evidence from observations and modeling showing that climate variation has an effect on POPs levels in biotic and abiotic environments. This article reviews recent progress in research on the effects of climate change on POPs with the intention of promoting awareness of the importance of interactions between climate and POPs in the geophysical and ecological systems.

Environmental Chemistry Methods (ECM) Index - 0-9

EPA Pesticide Factsheets

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with a number as the first character.

Environmental Fate of Sulfometuron Methyl in Southern Forest Watersheds

Treesearch

J.L. Michael; D.G. Neary

1988-01-01

This study evaluated the fate of sulfometuron methyl in large forest-land watersheds in typical soils of the southern United States. Sulfometuron methyl is active over a range of rates and is recommended at rates up to 0.63 kilograms active ingredient per hectare (kg ai/ha) in non-crop areas for the control of annual and perennial grasses, and broadleaved weeds. The...

Simulation-based model checking approach to cell fate specification during Caenorhabditis elegans vulval development by hybrid functional Petri net with extension.

PubMed

Li, Chen; Nagasaki, Masao; Ueno, Kazuko; Miyano, Satoru

2009-04-27

Model checking approaches were applied to biological pathway validations around 2003. Recently, Fisher et al. have proved the importance of model checking approach by inferring new regulation of signaling crosstalk in C. elegans and confirming the regulation with biological experiments. They took a discrete and state-based approach to explore all possible states of the system underlying vulval precursor cell (VPC) fate specification for desired properties. However, since both discrete and continuous features appear to be an indispensable part of biological processes, it is more appropriate to use quantitative models to capture the dynamics of biological systems. Our key motivation of this paper is to establish a quantitative methodology to model and analyze in silico models incorporating the use of model checking approach. A novel method of modeling and simulating biological systems with the use of model checking approach is proposed based on hybrid functional Petri net with extension (HFPNe) as the framework dealing with both discrete and continuous events. Firstly, we construct a quantitative VPC fate model with 1761 components by using HFPNe. Secondly, we employ two major biological fate determination rules - Rule I and Rule II - to VPC fate model. We then conduct 10,000 simulations for each of 48 sets of different genotypes, investigate variations of cell fate patterns under each genotype, and validate the two rules by comparing three simulation targets consisting of fate patterns obtained from in silico and in vivo experiments. In particular, an evaluation was successfully done by using our VPC fate model to investigate one target derived from biological experiments involving hybrid lineage observations. However, the understandings of hybrid lineages are hard to make on a discrete model because the hybrid lineage occurs when the system comes close to certain thresholds as discussed by Sternberg and Horvitz in 1986. Our simulation results suggest that: Rule I that cannot be applied with qualitative based model checking, is more reasonable than Rule II owing to the high coverage of predicted fate patterns (except for the genotype of lin-15ko; lin-12ko double mutants). More insights are also suggested. The quantitative simulation-based model checking approach is a useful means to provide us valuable biological insights and better understandings of biological systems and observation data that may be hard to capture with the qualitative one.

Assessing conceptual models for subsurface reactive transport of inorganic contaminants

USGS Publications Warehouse

Davis, James A.; Yabusaki, Steven B.; Steefel, Carl; Zachara, John M.; Curtis, Gary P.; Redden, George D.; Criscenti, Louise J.; Honeyman, Bruce D.

2004-01-01

In many subsurface situations where human health and environmental quality are at risk (e.g., contaminant hydrogeology petroleum extraction, carbon sequestration, etc.),scientists and engineers are being asked by federal agency decision-makers to predict the fate of chemical species under conditions where both reactions and transport are processes of first-order importance.In 2002, a working group (WG) was formed by representatives of the U.S. Geological Survey, Environmental Protection Agency, Department of Energy Nuclear Regulatory Commission, Department of Agriculture, and Army Engineer Research and Development Center to assess the role of reactive transport modeling (RTM) in addressing these situations. Specifically the goals of the WG are to (1) evaluate the state of the art in conceptual model development and parameterization for RTM, as applied to soil,vadose zone, and groundwater systems, and (2) prioritize research directions that would enhance the practical utility of RTM.

The Effect of Dynamic Evaporation Rates on the Mobility of Pharmaceuticals in Unsaturated Environments

NASA Astrophysics Data System (ADS)

Normile, H.; Papelis, C.; Kibbey, T. C. G.

2015-12-01

The focus of this work was on investigating how dynamic rates of evaporation affect the fate and transport of pharmaceutical compounds in unsaturated porous media. The environmental processes of saturation and evaporation control local concentrations of contaminants in pore water of porous media. Specifically, the rate of evaporation can affect the identity and extent of solid formation of a pharmaceutical compound. A range of experiments with different evaporation rates were conducted on sand columns saturated with a solution of ciprofloxacin, a fluoroquinolone antibiotic. Experiments were designed to simulate increased and decreased pore-water concentrations of a compound due to evaporation and resaturation, respectively. Results suggest that varied rates of evaporation cause differences in compound adsorption behavior. This result has significant implications for understanding fate and transport within the unsaturated zone. Preliminary models exploring the impact on contaminant mobility are discussed.

Integrated fate modeling for exposure assessment of produced water on the Sable Island Bank (Scotian shelf, Canada).

PubMed

Berry, Jody A; Wells, Peter G

2004-10-01

Produced water is the largest waste discharge from the production phase of oil and gas wells. Produced water is a mixture of reservoir formation water and production chemicals from the separation process. This creates a chemical mixture that has several components of toxic concern, ranging from heavy metals to soluble hydrocarbons. Analysis of potential environmental effects from produced water in the Sable Island Bank region (NS, Canada) was conducted using an integrated modeling approach according to the ecological risk assessment framework. A hydrodynamic dispersion model was used to describe the wastewater plume. A second fugacity-based model was used to describe the likely plume partitioning in the local environmental media of water, suspended sediment, biota, and sediment. Results from the integrated modeling showed that the soluble benzene and naphthalene components reach chronic no-effect concentration levels at a distance of 1.0 m from the discharge point. The partition modeling indicated that low persistence was expected because of advection forces caused by tidal currents for the Sable Island Bank system. The exposure assessment for the two soluble hydrocarbon components suggests that the risks of adverse environmental effects from produced water on Sable Island Bank are low.

Erratum: Probabilistic application of a fugacity model to predict triclosan fate during wastewater treatment.

PubMed

Bock, Michael; Lyndall, Jennifer; Barber, Timothy; Fuchsman, Phyllis; Perruchon, Elyse; Capdevielle, Marie

2010-10-01

The fate and partitioning of the antimicrobial compound, triclosan, in wastewater treatment plants (WWTPs) is evaluated using a probabilistic fugacity model to predict the range of triclosan concentrations in effluent and secondary biosolids. The WWTP model predicts 84% to 92% triclosan removal, which is within the range of measured removal efficiencies (typically 70% to 98%). Triclosan is predominantly removed by sorption and subsequent settling of organic particulates during primary treatment and by aerobic biodegradation during secondary treatment. Median modeled removal efficiency due to sorption is 40% for all treatment phases and 31% in the primary treatment phase. Median modeled removal efficiency due to biodegradation is 48% for all treatment phases and 44% in the secondary treatment phase. Important factors contributing to variation in predicted triclosan concentrations in effluent and biosolids include influent concentrations, solids concentrations in settling tanks, and factors related to solids retention time. Measured triclosan concentrations in biosolids and non-United States (US) effluent are consistent with model predictions. However, median concentrations in US effluent are over-predicted with this model, suggesting that differences in some aspect of treatment practices not incorporated in the model (e.g., disinfection methods) may affect triclosan removal from effluent. Model applications include predicting changes in environmental loadings associated with new triclosan applications and supporting risk analyses for biosolids-amended land and effluent receiving waters. © 2010 SETAC.

Probabilistic application of a fugacity model to predict triclosan fate during wastewater treatment.

PubMed

Bock, Michael; Lyndall, Jennifer; Barber, Timothy; Fuchsman, Phyllis; Perruchon, Elyse; Capdevielle, Marie

2010-07-01

The fate and partitioning of the antimicrobial compound, triclosan, in wastewater treatment plants (WWTPs) is evaluated using a probabilistic fugacity model to predict the range of triclosan concentrations in effluent and secondary biosolids. The WWTP model predicts 84% to 92% triclosan removal, which is within the range of measured removal efficiencies (typically 70% to 98%). Triclosan is predominantly removed by sorption and subsequent settling of organic particulates during primary treatment and by aerobic biodegradation during secondary treatment. Median modeled removal efficiency due to sorption is 40% for all treatment phases and 31% in the primary treatment phase. Median modeled removal efficiency due to biodegradation is 48% for all treatment phases and 44% in the secondary treatment phase. Important factors contributing to variation in predicted triclosan concentrations in effluent and biosolids include influent concentrations, solids concentrations in settling tanks, and factors related to solids retention time. Measured triclosan concentrations in biosolids and non-United States (US) effluent are consistent with model predictions. However, median concentrations in US effluent are over-predicted with this model, suggesting that differences in some aspect of treatment practices not incorporated in the model (e.g., disinfection methods) may affect triclosan removal from effluent. Model applications include predicting changes in environmental loadings associated with new triclosan applications and supporting risk analyses for biosolids-amended land and effluent receiving waters. (c) 2010 SETAC.

Watch Out for the "Living Dead": Cell-Free Enzymes and Their Fate.

PubMed

Baltar, Federico

2017-01-01

Microbes are the engines driving biogeochemical cycles. Microbial extracellular enzymatic activities (EEAs) are the "gatekeepers" of the carbon cycle. The total EEA is the sum of cell-bound (i.e., cell-attached), and dissolved (i.e., cell-free) enzyme activities. Cell-free enzymes make up a substantial proportion (up to 100%) of the total marine EEA. Although we are learning more about how microbial diversity and function (including total EEA) will be affected by environmental changes, little is known about what factors control the importance of the abundant cell-free enzymes. Since cell-attached EEAs are linked to the cell, their fate will likely be linked to the factors controlling the cell's fate. In contrast, cell-free enzymes belong to a kind of "living dead" realm because they are not attached to a living cell but still are able to perform their function away from the cell; and as such, the factors controlling their activity and fate might differ from those affecting cell-attached enzymes. This article aims to place cell-free EEA into the wider context of hydrolysis of organic matter, deal with recent studies assessing what controls the production, activity and lifetime of cell-free EEA, and what their fate might be in response to environmental stressors. This perspective article advocates the need to go "beyond the living things," studying the response of cells/organisms to different stressors, but also to study cell-free enzymes, in order to fully constrain the future and evolution of marine biogeochemical cycles.

NEIMiner: nanomaterial environmental impact data miner.

PubMed

Tang, Kaizhi; Liu, Xiong; Harper, Stacey L; Steevens, Jeffery A; Xu, Roger

2013-01-01

As more engineered nanomaterials (eNM) are developed for a wide range of applications, it is crucial to minimize any unintended environmental impacts resulting from the application of eNM. To realize this vision, industry and policymakers must base risk management decisions on sound scientific information about the environmental fate of eNM, their availability to receptor organisms (eg, uptake), and any resultant biological effects (eg, toxicity). To address this critical need, we developed a model-driven, data mining system called NEIMiner, to study nanomaterial environmental impact (NEI). NEIMiner consists of four components: NEI modeling framework, data integration, data management and access, and model building. The NEI modeling framework defines the scope of NEI modeling and the strategy of integrating NEI models to form a layered, comprehensive predictability. The data integration layer brings together heterogeneous data sources related to NEI via automatic web services and web scraping technologies. The data management and access layer reuses and extends a popular content management system (CMS), Drupal, and consists of modules that model the complex data structure for NEI-related bibliography and characterization data. The model building layer provides an advanced analysis capability for NEI data. Together, these components provide significant value to the process of aggregating and analyzing large-scale distributed NEI data. A prototype of the NEIMiner system is available at http://neiminer.i-a-i.com/.

NEIMiner: nanomaterial environmental impact data miner

PubMed Central

Tang, Kaizhi; Liu, Xiong; Harper, Stacey L; Steevens, Jeffery A; Xu, Roger

2013-01-01

As more engineered nanomaterials (eNM) are developed for a wide range of applications, it is crucial to minimize any unintended environmental impacts resulting from the application of eNM. To realize this vision, industry and policymakers must base risk management decisions on sound scientific information about the environmental fate of eNM, their availability to receptor organisms (eg, uptake), and any resultant biological effects (eg, toxicity). To address this critical need, we developed a model-driven, data mining system called NEIMiner, to study nanomaterial environmental impact (NEI). NEIMiner consists of four components: NEI modeling framework, data integration, data management and access, and model building. The NEI modeling framework defines the scope of NEI modeling and the strategy of integrating NEI models to form a layered, comprehensive predictability. The data integration layer brings together heterogeneous data sources related to NEI via automatic web services and web scraping technologies. The data management and access layer reuses and extends a popular content management system (CMS), Drupal, and consists of modules that model the complex data structure for NEI-related bibliography and characterization data. The model building layer provides an advanced analysis capability for NEI data. Together, these components provide significant value to the process of aggregating and analyzing large-scale distributed NEI data. A prototype of the NEIMiner system is available at http://neiminer.i-a-i.com/. PMID:24098076

An Online Prediction Platform to Support the Environmental ...

EPA Pesticide Factsheets

Historical QSAR models are currently utilized across a broad range of applications within the U.S. Environmental Protection Agency (EPA). These models predict basic physicochemical properties (e.g., logP, aqueous solubility, vapor pressure), which are then incorporated into exposure, fate and transport models. Whereas the classical manner of publishing results in peer-reviewed journals remains appropriate, there are substantial benefits to be gained by providing enhanced, open access to the training data sets and resulting models. Benefits include improved transparency, more flexibility to expand training sets and improve model algorithms, and greater ability to independently characterize model performance both globally and in local areas of chemistry. We have developed a web-based prediction platform that uses open-source descriptors and modeling algorithms, employs modern cheminformatics technologies, and is tailored for ease of use by the toxicology and environmental regulatory community. This tool also provides web-services to meet both EPA’s projects and the modeling community at-large. The platform hosts models developed within EPA’s National Center for Computational Toxicology, as well as those developed by other EPA scientists and the outside scientific community. Recognizing that there are other on-line QSAR model platforms currently available which have additional capabilities, we connect to such services, where possible, to produce an integrated

Holistic Watershed-Scale Approach for Studying Agricultural Chemicals

NASA Astrophysics Data System (ADS)

Capel, P. D.; Domagalski, J. L.

2006-05-01

The USGS National Water-Quality Assessment (NAWQA) Program studied the water quality of 51 areas across the United States during its first decade (1991-2001). Analyses of results from that phase of the NAWQA Program indicated that detailed studies of the processes affecting water quality could aid in the interpretation of these data, help to determine the direction and scope of future monitoring studies, and add to the understanding of the sources, transport and fate of non-point source chemicals, such as from agriculture. Now in the second decade of investigations, the NAWQA Program has initiated new process-based detailed studies to increase our understanding at the scale of a small watershed (about 3-15 square kilometers), nested within the larger basins studied during the first decade. The holistic, mass-budget approach for small agricultural watersheds that was adopted includes processes, and measures water and chemicals in the atmosphere, surface water, tile drains, overland flow, and within various sub-surface environments including the vadose, saturated, and hyporheic zones. The primary chemicals of interest were nutrients (nitrogen and phosphorous), the triazine and acetanilide herbicides, and the organophosphorus insecticides. Extensive field observations were made, and numerical models were developed to simulate important environmental compartments and interfaces associated with the transport and fate of agricultural chemicals. It is well recognized that these field measurements and simulations cannot fully achieve a full mass budget at this scale, but the approach provides a useful means for comparisons of various processes in different environmental settings. The results gained using this approach will add to the general knowledge of environmental transport and fate processes, and have transfer value to unstudied areas and different scales of investigation. The five initial study areas started in 2002, included watersheds in California, Indiana, Maryland, Nebraska and Washington. Two watersheds in Iowa and Mississippi were added in 2005. Each of these areas adopted the same general study design, but modified it slightly based on the local environmental setting. Consistent field and laboratory methods were used to enable direct comparison of results from each study area. This presentation of the study goals, design, and methods will serve as an introduction to other talks in this symposium.

Dynamical crossover in a stochastic model of cell fate decision

NASA Astrophysics Data System (ADS)

Yamaguchi, Hiroki; Kawaguchi, Kyogo; Sagawa, Takahiro

2017-07-01

We study the asymptotic behaviors of stochastic cell fate decision between proliferation and differentiation. We propose a model of a self-replicating Langevin system, where cells choose their fate (i.e., proliferation or differentiation) depending on local cell density. Based on this model, we propose a scenario for multicellular organisms to maintain the density of cells (i.e., homeostasis) through finite-ranged cell-cell interactions. Furthermore, we numerically show that the distribution of the number of descendant cells changes over time, thus unifying the previously proposed two models regarding homeostasis: the critical birth death process and the voter model. Our results provide a general platform for the study of stochastic cell fate decision in terms of nonequilibrium statistical mechanics.

The Air Quality Model Evaluation International Initiative ...

EPA Pesticide Factsheets

This presentation provides an overview of the Air Quality Model Evaluation International Initiative (AQMEII). It contains a synopsis of the three phases of AQMEII, including objectives, logistics, and timelines. It also provides a number of examples of analyses conducted through AQMEII with a particular focus on past and future analyses of deposition. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

An Integrated Watershed and Receiving Water Model for Fecal Coliform Fate and Transport in Sinclair and Dyes Inlets, Puget Sound, WA

DTIC Science & Technology

2009-12-01

Area IMPLND Impervious Land Cover INFILT Interflow Inflow Parameter (related to infiltration capacity of the soil ) INSUR Manning’s N for the...Km) SCCWRP Southern California Coastal Water Research Project SCS Soil Conservation Service SGA Shellfish Growing Area SPAWAR Space and Naval...UCI User Control Input USACE U.S. Army Corps of Engineers USEPA U.S. Environmental Protection Agency USGS U.S. Geological Survey xix USLE Universal

Ocean Dredged Material Disposal Site (ODMDS) Authorization and Short-Term FATE (STFATE) Model Analysis: 2014-2015 Working Group Findings Report

DTIC Science & Technology

2016-03-01

Simpson. 2009. Development of guidelines for ammonia in estuarine and marine water systems. Marine Pollution Bulletin 58:1472–1476. Boardman, G. D...waters of the United States and ocean waters is a shared responsibility of the USACE and U.S. Environmental Protection Agency (USEPA) under the Marine ...waters of the United States and ocean waters is a shared responsibility of USEPA and the USACE. The Marine Protection, Research, and Sanctuaries Act

A polynomial based model for cell fate prediction in human diseases.

PubMed

Ma, Lichun; Zheng, Jie

2017-12-21

Cell fate regulation directly affects tissue homeostasis and human health. Research on cell fate decision sheds light on key regulators, facilitates understanding the mechanisms, and suggests novel strategies to treat human diseases that are related to abnormal cell development. In this study, we proposed a polynomial based model to predict cell fate. This model was derived from Taylor series. As a case study, gene expression data of pancreatic cells were adopted to test and verify the model. As numerous features (genes) are available, we employed two kinds of feature selection methods, i.e. correlation based and apoptosis pathway based. Then polynomials of different degrees were used to refine the cell fate prediction function. 10-fold cross-validation was carried out to evaluate the performance of our model. In addition, we analyzed the stability of the resultant cell fate prediction model by evaluating the ranges of the parameters, as well as assessing the variances of the predicted values at randomly selected points. Results show that, within both the two considered gene selection methods, the prediction accuracies of polynomials of different degrees show little differences. Interestingly, the linear polynomial (degree 1 polynomial) is more stable than others. When comparing the linear polynomials based on the two gene selection methods, it shows that although the accuracy of the linear polynomial that uses correlation analysis outcomes is a little higher (achieves 86.62%), the one within genes of the apoptosis pathway is much more stable. Considering both the prediction accuracy and the stability of polynomial models of different degrees, the linear model is a preferred choice for cell fate prediction with gene expression data of pancreatic cells. The presented cell fate prediction model can be extended to other cells, which may be important for basic research as well as clinical study of cell development related diseases.

Calcium polysulphide, its applications and emerging risk of environmental pollution-a review article.

PubMed

Dahlawi, Saad Mohammed; Siddiqui, Samreen

2017-01-01

Easy availability, preparation technique, and economic value make calcium polysulphide (CaS x ) a very useful inorganic chemical for various field and industrial applications. In this article, disparate applications of CaS x solution have been reviewed to suggest potential and future consolidation. This article also encompasses the physiochemical properties and production of CaS x solution, with critical appraisal on research focusing on CaS x application in agriculture industries and removal of potentially toxic elements (PTEs) from the environment. The kinetics of CaS x , technical issues associated with optimization of its dosage and environmental fate is also discussed in detail. This study covers almost all of the peer-reviewed research that has been performed since 1914. Some of the critiques in this article include the lack of integration between the exposure effect and the efficiency of treatment method, effects of oxidizing environments on the long-term performance of CaS x solution, and kinetics of CaS x solution with the PTEs. The working model of CaS x with PTEs is still system dependent, and therefore cannot be used with other applications. The kinetics of CaS x is described in detail with various phase stoichiometric reactions. Environmental fate is discussed based on applications, government reports, peer-reviewed articles and kinetics of CaS x , which provides a clear picture of emerging contaminants in the environment in relation to the insect resistance and ecotoxicology. Real time, lab based research articles are needed to identify toxicity limits of CaS x in environment in order to describe its effective permissible limit in environmental system. This review article provides a risk assessment of environmental pollution by CaS x based on its physicochemical characteristic, stoichiometry, kinetics, field, and industrial applications.

Critical load analysis in hazard assessment of metals using a Unit World Model.

PubMed

Gandhi, Nilima; Bhavsar, Satyendra P; Diamond, Miriam L

2011-09-01

A Unit World approach has been used extensively to rank chemicals for their hazards and to understand differences in chemical behavior. Whereas the fate and effects of an organic chemical in a Unit World Model (UWM) analysis vary systematically according to one variable (fraction of organic carbon), and the chemicals have a singular ranking regardless of environmental characteristics, metals can change their hazard ranking according to freshwater chemistry, notably pH and dissolved organic carbon (DOC). Consequently, developing a UWM approach for metals requires selecting a series of representative freshwater chemistries, based on an understanding of the sensitivity of model results to this chemistry. Here we analyze results from a UWM for metals with the goal of informing the selection of appropriate freshwater chemistries for a UWM. The UWM loosely couples the biotic ligand model (BLM) to a geochemical speciation model (Windermere Humic Adsorption Model [WHAM]) and then to the multi-species fate transport-speciation (Transpec) model. The UWM is applied to estimate the critical load (CL) of cationic metals Cd, Cu, Ni, Pb, and Zn, using three lake chemistries that vary in trophic status, pH, and other parameters. The model results indicated a difference of four orders of magnitude in particle-to-total dissolved partitioning (K(d)) that translated into minimal differences in fate because of the short water residence time used. However, a maximum 300-fold difference was calculated in Cu toxicity among the three chemistries and three aquatic organisms. Critical loads were lowest (greatest hazard) in the oligotrophic water chemistry and highest (least hazard) in the eutrophic water chemistry, despite the highest fraction of free metal ion as a function of total metal occurring in the mesotrophic system, where toxicity was ameliorated by competing cations. Water hardness, DOC, and pH had the greatest influence on CL, because of the influence of these factors on aquatic toxicity. Copyright © 2011 SETAC.

Polychlorinated Biphenyls in a Temperate Alpine Glacier: 2. Model Results of Chemical Fate Processes.

PubMed

Steinlin, Christine; Bogdal, Christian; Pavlova, Pavlina A; Schwikowski, Margit; Lüthi, Martin P; Scheringer, Martin; Schmid, Peter; Hungerbühler, Konrad

2015-12-15

We present results from a chemical fate model quantifying incorporation of polychlorinated biphenyls (PCBs) into the Silvretta glacier, a temperate Alpine glacier located in Switzerland. Temperate glaciers, in contrast to cold glaciers, are glaciers where melt processes are prevalent. Incorporation of PCBs into cold glaciers has been quantified in previous studies. However, the fate of PCBs in temperate glaciers has never been investigated. In the model, we include melt processes, inducing elution of water-soluble substances and, conversely, enrichment of particles and particle-bound chemicals. The model is validated by comparing modeled and measured PCB concentrations in an ice core collected in the Silvretta accumulation area. We quantify PCB incorporation between 1900 and 2010, and discuss the fate of six PCB congeners. PCB concentrations in the ice core peak in the period of high PCB emissions, as well as in years with strong melt. While for lower-chlorinated PCB congeners revolatilization is important, for higher-chlorinated congeners, the main processes are storage in glacier ice and removal by particle runoff. This study gives insight into PCB fate and dynamics and reveals the effect of snow accumulation and melt processes on the fate of semivolatile organic chemicals in a temperate Alpine glacier.

Holistic assessment of occurrence and fate of metolachlor within environmental compartments of agricultural watersheds

USGS Publications Warehouse

Rose, Claire E.; Coupe, Richard H.; Capel, Paul D.; Webb, Richard M.

2017-01-01

Background: Metolachlor [(RS)-2-Chloro-N-(2-ethyl-6-methyl-phenyl)-N-(1-methoxypropan-2-yl)acetamide] and two degradates (metolachlor ethane-sulfonic acid and metolachlor oxanilic acid) are commonly observed in surface and groundwater. The behavior and fate of these compounds were examined over a 12-year period in seven agricultural watersheds in the United States. They were quantified in air, rain, streams, overland flow, groundwater, soil water, subsurface drain water, and water at the stream/groundwater interface. The compounds were frequently detected in surface and groundwater associated with agricultural areas. A mass budget approach, based on all available data from the study and literature, was used to determine a percentage-wise generalized distribution and fate of applied parent metolachlor in typical agricultural environments.Results: In these watersheds, about 90% of applied metolachlor was taken up by plants or degraded, 10% volatilized, and 0.3% returned as rainfall. One percent was transported to surface water, while an equal amount infiltrated into the unsaturated zone soil water. < 0.02% reached the groundwater. Subsurface flow paths resulted in greater degradation of metolachlor because degradation reactions had more time to proceed.Conclusions: An understanding of the residence times of water in the different environmental compartments, and the important processes affecting metolachlor as it is transported along flowpaths among the environmental compartments allows for a degree of predictability of metolachlor's fate. Degradates with long half-lives can be used (in a limited capacity) as tracers of metolachlor, because of their persistence and widespread occurrence in the environment.

Fates of Chemical Elements in Biomass during Its Pyrolysis.

PubMed

Liu, Wu-Jun; Li, Wen-Wei; Jiang, Hong; Yu, Han-Qing

2017-05-10

Biomass is increasingly perceived as a renewable resource rather than as an organic solid waste today, as it can be converted to various chemicals, biofuels, and solid biochar using modern processes. In the past few years, pyrolysis has attracted growing interest as a promising versatile platform to convert biomass into valuable resources. However, an efficient and selective conversion process is still difficult to be realized due to the complex nature of biomass, which usually makes the products complicated. Furthermore, various contaminants and inorganic elements (e.g., heavy metals, nitrogen, phosphorus, sulfur, and chlorine) embodied in biomass may be transferred into pyrolysis products or released into the environment, arousing environmental pollution concerns. Understanding their behaviors in biomass pyrolysis is essential to optimizing the pyrolysis process for efficient resource recovery and less environmental pollution. However, there is no comprehensive review so far about the fates of chemical elements in biomass during its pyrolysis. Here, we provide a critical review about the fates of main chemical elements (C, H, O, N, P, Cl, S, and metals) in biomass during its pyrolysis. We overview the research advances about the emission, transformation, and distribution of elements in biomass pyrolysis, discuss the present challenges for resource-oriented conversion and pollution abatement, highlight the importance and significance of understanding the fate of elements during pyrolysis, and outlook the future development directions for process control. The review provides useful information for developing sustainable biomass pyrolysis processes with an improved efficiency and selectivity as well as minimized environmental impacts, and encourages more research efforts from the scientific communities of chemistry, the environment, and energy.

Heterogeneous photo-oxidation of pesticides and its implication to their environmental fate

NASA Astrophysics Data System (ADS)

Dubowski, Y.

2014-12-01

The environmental fate and impact of pesticides strongly depend on their post application degradation processes. While most existing knowledge on pesticides degradation refers to processes within bulk soil and water, applied pesticides may remain on treated surfaces (and on airborn particles) for long duration, exposed to atmospheric oxidants and solar radiation. The resulting photo-oxidation processes may have significant effect on their fate, especially in semiarid regions where pesticide applications take place during the long dry season and targeted irrigation is common. Here we present our studies on heterogeneous photo-oxidation of few commonly used pesticides (e.g., cypermethrin, methyl parathion, and chlorpyrifos), using novel laboratory setups enabling simultaneous monitoring of both phases. Experiments focused on kinetics, quantum yields, and identification of gaseous and condensed products. In addition, the reactivity of the selected pesticides was investigated as a function of their matrix (analytical vs. commercial formula), their phase (thin film vs. airborne aerosols), and the substrate they are sorbed on (leaf, soil, and glass). Complimentarily to these laboratory studies, field measurements of selected pesticides concentrations in few streams in northern Israel during the first rain events were also conducted and showed the important role of surface processes on these pesticides fate and transport in semi-arid climate.

Mercury and methylmercury stream concentrations in a Coastal Plain watershed: a multi-scale simulation analysis.

PubMed

Knightes, C D; Golden, H E; Journey, C A; Davis, G M; Conrads, P A; Marvin-DiPasquale, M; Brigham, M E; Bradley, P M

2014-04-01

Mercury is a ubiquitous global environmental toxicant responsible for most US fish advisories. Processes governing mercury concentrations in rivers and streams are not well understood, particularly at multiple spatial scales. We investigate how insights gained from reach-scale mercury data and model simulations can be applied at broader watershed scales using a spatially and temporally explicit watershed hydrology and biogeochemical cycling model, VELMA. We simulate fate and transport using reach-scale (0.1 km(2)) study data and evaluate applications to multiple watershed scales. Reach-scale VELMA parameterization was applied to two nested sub-watersheds (28 km(2) and 25 km(2)) and the encompassing watershed (79 km(2)). Results demonstrate that simulated flow and total mercury concentrations compare reasonably to observations at different scales, but simulated methylmercury concentrations are out-of-phase with observations. These findings suggest that intricacies of methylmercury biogeochemical cycling and transport are under-represented in VELMA and underscore the complexity of simulating mercury fate and transport. Published by Elsevier Ltd.

FATE AND EFFECTS OF THE ENANTIOMERS OF CHIRAL ENVIRONMENTAL POLLUTANTS

EPA Science Inventory

Enantiomers, the mirror image isomers of chiral compounds, are known to be selective in their interaction with other chiral molecules, including enzymes and other biochemicals. This holds true for pesticides, about 25% of which are chiral molecules, and other chiral environmental...

Characterization and Behavior of Cold Lake Blend and Western Canadian Select Diluted Bitumen Products

EPA Science Inventory

Unconventional diluted bitumen (dilbit) oil products present an increasing environmental concern because of extensive transport in North America, recent spills into aquatic habitats, and limited understanding of environmental fate and toxicity. Dilbits are blends of highly weathe...

Population and prehistory I: Food-dependent population growth in constant environments.

PubMed

Lee, Charlotte T; Tuljapurkar, Shripad

2008-06-01

We present a demographic model that describes the feedbacks between food supply, human mortality and fertility rates, and labor availability in expanding populations, where arable land area is not limiting. This model provides a quantitative framework to describe how environment, technology, and culture interact to influence the fates of preindustrial agricultural populations. We present equilibrium conditions and derive approximations for the equilibrium population growth rate, food availability, and other food-dependent measures of population well-being. We examine how the approximations respond to environmental changes and to human choices, and find that the impact of environmental quality depends upon whether it manifests through agricultural yield or maximum (food-independent) survival rates. Human choices can complement or offset environmental effects: greater labor investments increase both population growth and well-being, and therefore can counteract lower agricultural yield, while fertility control decreases the growth rate but can increase or decrease well-being. Finally we establish equilibrium stability criteria, and argue that the potential for loss of local stability at low population growth rates could have important consequences for populations that suffer significant environmental or demographic shocks.

An examination of the physical properties, fate, ecotoxicity and potential environmental risks for a series of propylene glycol ethers.

PubMed

Staples, Charles A; Davis, John W

2002-10-01

Propylene glycol ethers (PGEs) are comprised of mono-, di- and tri-PGEs and several of their acetate esters. The nature of the range of applications that use PGEs suggests that there is a potential for both intentional and unintentional entry of the materials into the environment. Selected physical/chemical properties, fate characteristics, aquatic toxicity data and calculated environmental concentrations were used to assess potential risks from the manufacture, handling, use, and disposal of PGEs. In general, the PGEs are low to moderately volatile, have high aqueous solubilities, low octanol-water partition coefficients (Kow), and bioconcentration factor values of <10, which indicate they are unlikely to accumulate in aquatic food chains. Both abiotic and biological degradation processes reduce environmental concentrations of PGEs. In air, vapor-phase PGEs react with photo-chemically produced hydroxyl radicals and have half-lives ranging from 5.5 to 34.4 h. A variety of ready and inherent biodegradation test methods, as well as tests that simulate biodegradation in wastewater treatment plants, surface water and soil have been conducted on PGEs. Significant aerobic biodegradation was generally observed, with a range of biodegradation half-lives on the order of 5-25 d. Acute aquatic toxicity studies with PGEs resulted in LC50 values ranging from approximately >100 to >20,000 mg/l for freshwater fish, the pelagic invertebrate Daphnia magna, green algae Selenastrum capricornutum (now called Pseudokirchneriella capricornutum) and bacteria. Level 3 multi-media modeling (EQC model of Mackay) was used to simulate regional-scale concentrations of PGEs in air, soil, water, and sediment. Toxicity thresholds were then compared with regional-scale water, soil and sediment concentrations to determine hazard quotients. Based upon this analysis, concentrations of PGEs are unlikely to pose adverse risks to the environment.

FAST Center for Environmental Remediation, Fate and Transport of Hazardous Chemicals

DTIC Science & Technology

2003-07-01

Because of the FAST Center project, A&T will compete for funding and will make significant research contributions in environmental science and engineering....include: (1) development of infrastructure and facilities for environmental research at A&T (2) significant research contributions in environmental ... science and engineering, (3) graduation of 25 M.S. graduates in five different disciplines, (4) training of 16 undergraduate assistants, (5) publication

Climatic, biological, and land cover controls on the exchange of gas-phase semivolatile chemical pollutants between forest canopies and the atmosphere.

PubMed

Nizzetto, Luca; Perlinger, Judith A

2012-03-06

An ecophysiological model of a structured broadleaved forest canopy was coupled to a chemical fate model of the air-canopy exchange of gaseous semivolatile chemicals to dynamically assess the short-term (hours) and medium term (days to season) air-canopy exchange and the influence of biological, climatic, and land cover drivers on the dynamics of the air-canopy exchange and on the canopy storage for airborne semivolatile pollutants. The chemical fate model accounts for effects of short-term variations in air temperature, wind speed, stomatal opening, and leaf energy balance, all as a function of layer in the canopy. Simulations showed the potential occurrence of intense short/medium term re-emission of pollutants having log K(OA) up to 10.7 from the canopy as a result of environmental forcing. In addition, relatively small interannual variations in seasonally averaged air temperature, canopy biomass, and precipitation can produce relevant changes in the canopy storage capacity for the chemicals. It was estimated that possible climate change related variability in environmental parameters (e.g., an increase of 2 °C in seasonally averaged air temperature in combination with a 10% reduction in canopy biomass due to, e.g., disturbance or acclimatization) may cause a reduction in canopy storage capacity of up to 15-25%, favoring re-emission and potential for long-range atmospheric transport. On the other hand, an increase of 300% in yearly precipitation can increase canopy sequestration by 2-7% for the less hydrophobic compounds.

An Evaluation of the Environmental Fate and Behavior of Munitions Materiel (Tetryl and Polar Metabolites of TNT) in Soil and Plant Systems. Environmental Fate and Behavior of Tetryl

DTIC Science & Technology

1992-03-01

attempted to verify product identity and purity by GC with either Fourier transform infrared spectro.icopy (FTIR) or mass spectroscopy (MS) detection...ýl0 5 In-1 z U)-’i0oo -3g’i o -6o0 626o a i60 ito1 2i oo I ’ o [JfnVENUII8ER (cm- FIGURE 3,9. Fourier Transform Infrared Spectroscopy Spectrum of...Fourier Transform Infrared Spectroscopy Spectrum of Tetryl I-I F1U~IGUR Fourier Utransformlfret Spcrop S ectrum of TeasomtinPoutrl 0 , -39 i : : : -. . i

Potential scenarios for nanomaterial release and subsequent alteration in the environment.

PubMed

Nowack, Bernd; Ranville, James F; Diamond, Stephen; Gallego-Urrea, Julian A; Metcalfe, Chris; Rose, Jerome; Horne, Nina; Koelmans, Albert A; Klaine, Stephen J

2012-01-01

The risks associated with exposure to engineered nanomaterials (ENM) will be determined in part by the processes that control their environmental fate and transformation. These processes act not only on ENM that might be released directly into the environment, but more importantly also on ENM in consumer products and those that have been released from the product. The environmental fate and transformation are likely to differ significantly for each of these cases. The ENM released from actual direct use or from nanomaterial-containing products are much more relevant for ecotoxicological studies and risk assessment than pristine ENM. Released ENM may have a greater or lesser environmental impact than the starting materials, depending on the transformation reactions and the material. Almost nothing is known about the environmental behavior and the effects of released and transformed ENM, although these are the materials that are actually present in the environment. Further research is needed to determine whether the release and transformation processes result in a similar or more diverse set of ENM and ultimately how this affects environmental behavior. This article addresses these questions, using four hypothetical case studies that cover a wide range of ENM, their direct use or product applications, and their likely fate in the environment. Furthermore, a more definitive classification scheme for ENM should be adopted that reflects their surface condition, which is a result of both industrial and environmental processes acting on the ENM. The authors conclude that it is not possible to assess the risks associated with the use of ENM by investigating only the pristine form of the ENM, without considering alterations and transformation processes. Copyright © 2011 SETAC.

ENED-GEM: A Conceptual Framework Model for Psychological Enjoyment Factors and Learning Mechanisms in Educational Games about the Environment.

PubMed

Fjællingsdal, Kristoffer S; Klöckner, Christian A

2017-01-01

Based on a thorough review of psychological literature, this article seeks to develop a model of game enjoyment and environmental learning (ENvironmental EDucational Game Enjoyment Model, ENED-GEM) and delineate psychological processes that might facilitate learning and inspire behavioral change from educational games about the environment. A critically acclaimed digital educational game about environmental issues (Fate of the World by Red Redemption/Soothsayer Games) was used as a case study. Two hundred forty-nine reviews of the game from the popular gaming and reviewing platform known as Steam were analyzed by means of a thematic content analysis in order to identify key player enjoyment factors believed to be relevant to the process of learning from games, as well as to gain an understanding of positive and negative impressions about the game's general content. The end results of the thematic analysis were measured up to the suggested ENED-GEM framework. Initial results generally support the main elements of the ENED-GEM, and future research into the importance of these individual core factors is outlined.

ENED-GEM: A Conceptual Framework Model for Psychological Enjoyment Factors and Learning Mechanisms in Educational Games about the Environment

PubMed Central

Fjællingsdal, Kristoffer S.; Klöckner, Christian A.

2017-01-01

Based on a thorough review of psychological literature, this article seeks to develop a model of game enjoyment and environmental learning (ENvironmental EDucational Game Enjoyment Model, ENED-GEM) and delineate psychological processes that might facilitate learning and inspire behavioral change from educational games about the environment. A critically acclaimed digital educational game about environmental issues (Fate of the World by Red Redemption/Soothsayer Games) was used as a case study. Two hundred forty-nine reviews of the game from the popular gaming and reviewing platform known as Steam were analyzed by means of a thematic content analysis in order to identify key player enjoyment factors believed to be relevant to the process of learning from games, as well as to gain an understanding of positive and negative impressions about the game’s general content. The end results of the thematic analysis were measured up to the suggested ENED-GEM framework. Initial results generally support the main elements of the ENED-GEM, and future research into the importance of these individual core factors is outlined. PMID:28701988

BETR Global - A geographically explicit global-scale multimedia contaminant fate model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Macleod, M.; Waldow, H. von; Tay, P.

2011-04-01

We present two new software implementations of the BETR Global multimedia contaminant fate model. The model uses steady-state or non-steady-state mass-balance calculations to describe the fate and transport of persistent organic pollutants using a desktop computer. The global environment is described using a database of long-term average monthly conditions on a 15{sup o} x 15{sup o} grid. We demonstrate BETR Global by modeling the global sources, transport, and removal of decamethylcyclopentasiloxane (D5).

Modelling exposure of oceanic higher trophic-level consumers to polychlorinated biphenyls: pollution 'hotspots' in relation to mass mortality events of marine mammals.

PubMed

Handoh, Itsuki C; Kawai, Toru

2014-08-30

Marine mammals in the past mass mortality events may have been susceptible to infection because their immune systems were suppressed through the bioaccumulation of environmental pollutants such as polychlorinated biphenyls (PCBs). We compiled mortality event data sets of 33 marine mammal species, and employed a Finely-Advanced Transboundary Environmental model (FATE) to model the exposure of the global fish community to PCB congeners, in order to define critical exposure levels (CELs) of PCBs above which mass mortality events are likely to occur. Our modelling approach enabled us to describe the mass mortality events in the context of exposure of higher-trophic consumers to PCBs and to identify marine pollution 'hotspots' such as the Mediterranean Sea and north-western European coasts. We demonstrated that the CELs can be applied to quantify a chemical pollution Planetary Boundary, under which a safe operating space for marine mammals and humanity can exist. Copyright © 2014 Elsevier Ltd. All rights reserved.

Towards an understanding of the link between environmental emissions and human body burdens of PCBs using CoZMoMAN.

PubMed

Breivik, Knut; Czub, Gertje; McLachlan, Michael S; Wania, Frank

2010-01-01

Different factors affect how organic contaminants released into the environment over time distribute and accumulate, enter various food-chains, and potentially cause toxic effects in wildlife and humans. A sound chemical risk assessment thus requires the determination of the quantitative relationship between emissions and human exposure. This study aimed to assess the extent of the quantitative and mechanistic understanding of the link between environmental emissions and human body burdens for polychlorinated biphenyls (PCBs) in the western part of the Baltic Sea drainage basin and to identify any remaining knowledge gaps. An integrated, non-steady state model calculating human body burden from environmental emissions (CoZMoMAN) was created by linking the multi-compartment environmental fate model CoZMo-POP 2 with the human food chain bioaccumulation model ACC-HUMAN. CoZMoMAN predicted concentrations of seven PCB congeners in 11 key model compartments to typically within a factor of 2 to 4 of measured values, although larger discrepancies are noted for soils and humans. We conclude that whereas the most important processes which link emissions of PCBs to human body burdens are quite well understood in this region, some critical knowledge gaps related to the time trend of historical emissions remain to be addressed.

ENANTIOMER FRACTIONS OF CHLORDANE COMPOUNDS IN SEDIMENT SAMPLES FROM U.S. GEOLOGICAL SURVEY SITES IN LAKES, RIVERS, AND RESERVOIRS

EPA Science Inventory

More than 500 important environmental contaminants are chiral (having structures that are nonsuperimposible mirror images). Although enantiomer pairs have identical physical-chemical properties, their toxicity, biodegradation, and environmental fate often are different. Cyclo...

Physical properties of select explosive components for assessing their fate and transport in the environment

USDA-ARS?s Scientific Manuscript database

Information on physical properties of munitions compounds is necessary for assessing their environmental distribution and transport, and predict potential hazards. This information is also needed for selection and design of successful physical, chemical or biological environmental remediation proces...

A review of the environmental corrosion, fate and bioavailability of munitions grade depleted uranium.

PubMed

Handley-Sidhu, Stephanie; Keith-Roach, Miranda J; Lloyd, Jonathan R; Vaughan, David J

2010-11-01

Depleted uranium (DU) is a by-product of nuclear fuel enrichment and is used in antitank penetrators due to its high density, self-sharpening, and pyrophoric properties. Military activities have left a legacy of DU waste in terrestrial and marine environments, and there have been only limited attempts to clean up affected environments. Ten years ago, very little information was available on the dispersion of DU as penetrators hit their targets or the fate of DU penetrators left behind in environmental systems. However, the marked increase in research since then has improved our knowledge of the environmental impact of firing DU and the factors that control the corrosion of DU and its subsequent migration through the environment. In this paper, the literature is reviewed and consolidated to provide a detailed overview of the current understanding of the environmental behaviour of DU and to highlight areas that need further consideration. Copyright © 2010 Elsevier B.V. All rights reserved.

Constituent bioconcentration in rainbow trout exposed to a complex chemical mixture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Linder, G.; Bergman, H.L.; Meyer, J.S.

1984-09-01

Classically, aquatic contaminant fate models predicting a chemical's bioconcentration factor (BCF) are based upon single-compound derived models, yet such BCF predictions may deviate from observed BCFs when physicochemical interactions or biological responses to complex chemical mixture exposures are not adequately considered in the predictive model. Rainbow trout were exposed to oil-shale retort waters. Such a study was designed to model the potential biological effects precluded by exposure to complex chemical mixtures such as solid waste leachates, agricultural runoff, and industrial process waste waters. Chromatographic analysis of aqueous and nonaqueous liquid-liquid reservoir components yielded differences in mixed extraction solvent HPLC profilesmore » of whole fish exposed for 1 and 3 weeks to the highest dilution of the complex chemical mixture when compared to their corresponding control, yet subsequent whole fish extractions at 6, 9, 12, and 15 weeks into exposure demonstrated no qualitative differences between control and exposed fish. Liver extractions and deproteinized bile samples from exposed fish were qualitatively different than their corresponding controls. These findings support the projected NOEC of 0.0045% dilution, even though the differences in bioconcentration profiles suggest hazard assessment strategies may be useful in evaluating environmental fate processes associated with complex chemical mixtures. 12 references, 4 figures, 2 tables.« less

A review of ecological effects and environmental fate of illicit drugs in aquatic ecosystems.

PubMed

Rosi-Marshall, E J; Snow, D; Bartelt-Hunt, S L; Paspalof, A; Tank, J L

2015-01-23

Although illicit drugs are detected in surface waters throughout the world, their environmental fate and ecological effects are not well understood. Many illicit drugs and their breakdown products have been detected in surface waters and temporal and spatial variability in use translates into "hot spots and hot moments" of occurrence. Illicit drug occurrence in regions of production and use and areas with insufficient wastewater treatment are not well studied and should be targeted for further study. Evidence suggests that illicit drugs may not be persistent, as their half-lives are relatively short, but may exhibit "pseudo-persistence" wherein continual use results in persistent occurrence. We reviewed the literature on the ecological effects of these compounds on aquatic organisms and although research is limited, a wide array of aquatic organisms, including bacteria, algae, invertebrates, and fishes, have receptors that make them potentially sensitive to these compounds. In summary, illicit drugs occur in surface waters and aquatic organisms may be affected by these compounds; research is needed that focuses on concentrations of illicit drugs in areas of production and high use, environmental fate of these compounds, and effects of these compounds on aquatic ecosystems at the concentrations that typically occur in the environment. Copyright © 2014 Elsevier B.V. All rights reserved.

Beyond the material grave: Life Cycle Impact Assessment of leaching from secondary materials in road and earth constructions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwab, Oliver; Karlsruhe Institute of Technology, Institute for Geography and Geoecology, Adenauerring 20, 76131 Karlsruhe; Bayer, Peter, E-mail: bayer@erdw.ethz.ch

Highlights: • We model environmental impacts of leaching from secondary construction material. • Industrial wastes in construction contain up to 45,000 t heavy metals per year (D). • In a scenario, 150 t are leached to the environment within 100 years after construction. • All heavy metals but As, Sb and Mo are adsorbed by 20 cm subsoil in this scenario. • Environmental impacts depend on material, pollutant, construction type, and geography. - Abstract: In industrialized countries, large amounts of mineral wastes are produced. They are re-used in various ways, particularly in road and earth constructions, substituting primary resources suchmore » as gravel. However, they may also contain pollutants, such as heavy metals, which may be leached to the groundwater. The toxic impacts of these emissions are so far often neglected within Life Cycle Assessments (LCA) of products or waste treatment services and thus, potentially large environmental impacts are currently missed. This study aims at closing this gap by assessing the ecotoxic impacts of heavy metal leaching from industrial mineral wastes in road and earth constructions. The flows of metals such as Sb, As, Pb, Cd, Cr, Cu, Mo, Ni, V and Zn originating from three typical constructions to the environment are quantified, their fate in the environment is assessed and potential ecotoxic effects evaluated. For our reference country, Germany, the industrial wastes that are applied as Granular Secondary Construction Material (GSCM) carry more than 45,000 t of diverse heavy metals per year. Depending on the material quality and construction type applied, up to 150 t of heavy metals may leach to the environment within the first 100 years after construction. Heavy metal retardation in subsoil can potentially reduce the fate to groundwater by up to 100%. One major challenge of integrating leaching from constructions into macro-scale LCA frameworks is the high variability in micro-scale technical and geographical factors, such as material qualities, construction types and soil types. In our work, we consider a broad range of parameter values in the modeling of leaching and fate. This allows distinguishing between the impacts of various road constructions, as well as sites with different soil properties. The findings of this study promote the quantitative consideration of environmental impacts of long-term leaching in Life Cycle Assessment, complementing site-specific risk assessment, for the design of waste management strategies, particularly in the construction sector.« less

Watch Out for the “Living Dead”: Cell-Free Enzymes and Their Fate

PubMed Central

Baltar, Federico

2018-01-01

Microbes are the engines driving biogeochemical cycles. Microbial extracellular enzymatic activities (EEAs) are the “gatekeepers” of the carbon cycle. The total EEA is the sum of cell-bound (i.e., cell-attached), and dissolved (i.e., cell-free) enzyme activities. Cell-free enzymes make up a substantial proportion (up to 100%) of the total marine EEA. Although we are learning more about how microbial diversity and function (including total EEA) will be affected by environmental changes, little is known about what factors control the importance of the abundant cell-free enzymes. Since cell-attached EEAs are linked to the cell, their fate will likely be linked to the factors controlling the cell’s fate. In contrast, cell-free enzymes belong to a kind of “living dead” realm because they are not attached to a living cell but still are able to perform their function away from the cell; and as such, the factors controlling their activity and fate might differ from those affecting cell-attached enzymes. This article aims to place cell-free EEA into the wider context of hydrolysis of organic matter, deal with recent studies assessing what controls the production, activity and lifetime of cell-free EEA, and what their fate might be in response to environmental stressors. This perspective article advocates the need to go “beyond the living things,” studying the response of cells/organisms to different stressors, but also to study cell-free enzymes, in order to fully constrain the future and evolution of marine biogeochemical cycles. PMID:29354095

Hydroxylated polychlorinated biphenyls in the environment: sources, fate, and toxicities.

PubMed

Tehrani, Rouzbeh; Van Aken, Benoit

2014-05-01

Hydroxylated polychlorinated biphenyls (OH-PCBs) are produced in the environment by the oxidation of PCBs through a variety of mechanisms, including metabolic transformation in living organisms and abiotic reactions with hydroxyl radicals. As a consequence, OH-PCBs have been detected in a wide range of environmental samples, including animal tissues, water, and sediments. OH-PCBs have recently raised serious environmental concerns because they exert a variety of toxic effects at lower doses than the parent PCBs and they are disruptors of the endocrine system. Although evidence about the widespread dispersion of OH-PCBs in various compartments of the ecosystem has accumulated, little is currently known about their biodegradation and behavior in the environment. OH-PCBs are, today, increasingly considered as a new class of environmental contaminants that possess specific chemical, physical, and biological properties not shared with the parent PCBs. This article reviews recent findings regarding the sources, fate, and toxicities of OH-PCBs in the environment.

A modeling assessment of the physicochemical properties and environmental fate of emerging and novel per- and polyfluoroalkyl substances.

PubMed

Gomis, Melissa Ines; Wang, Zhanyun; Scheringer, Martin; Cousins, Ian T

2015-02-01

Long-chain perfluoroalkyl carboxylic acids (PFCAs) and perfluoroalkane sulfonic acids (PFSAs) are persistent, bioaccumulative, and toxic contaminants that are globally present in the environment, wildlife and humans. Phase-out actions and use restrictions to reduce the environmental release of long-chain PFCAs, PFSAs and their precursors have been taken since 2000. In particular, long-chain poly- and perfluoroalkyl substances (PFASs) are being replaced with shorter-chain homologues or other fluorinated or non-fluorinated alternatives. A key question is: are these alternatives, particularly the structurally similar fluorinated alternatives, less hazardous to humans and the environment than the substances they replace? Several fluorinated alternatives including perfluoroether carboxylic acids (PFECAs) and perfluoroether sulfonic acids (PFESAs) have been recently identified. However, the scarcity of experimental data prevents hazard and risk assessments for these substances. In this study, we use state-of-the-art in silico tools to estimate key properties of these newly identified fluorinated alternatives. [i] COSMOtherm and SPARC are used to estimate physicochemical properties. The US EPA EPISuite software package is used to predict degradation half-lives in air, water and soil. [ii] In combination with estimated chemical properties, a fugacity-based multimedia mass-balance unit-world model - the OECD Overall Persistence (POV) and Long-Range Transport Potential (LRTP) Screening Tool - is used to assess the likely environmental fate of these alternatives. Even though the fluorinated alternatives contain some structural differences, their physicochemical properties are not significantly different from those of their predecessors. Furthermore, most of the alternatives are estimated to be similarly persistent and mobile in the environment as the long-chain PFASs. The models therefore predict that the fluorinated alternatives will become globally distributed in the environment similar to their predecessors. Although such in silico methods are coupled with uncertainties, this preliminary assessment provides enough cause for concern to warrant experimental work to better determine the properties of these fluorinated alternatives. Copyright © 2014 Elsevier B.V. All rights reserved.

SCIENCE MISCONDUCT ACTIVITIES IN ENVIRONMENTAL ANALYSIS - FRAUD DETECTION IN GC/MS/ICP ACTIVITIES

EPA Science Inventory

Contracted laboratories perform a vast number of routine and special analytical services that are the foundation of decisions upon which rests the fate of the environment. Guiding these laboratories in the generation of environmental data has been the analytical protocols and th...

FATE OF PHARMACEUTICALS: EFFECTS OF CHLORINATION AND ENVIRONMENTAL PERSISTENCE

EPA Science Inventory

The presence of pharmaceuticals in environmental waters has become an area of concern around the world. To maximize the impact of occurrence studies, pre-screening can help determine which compounds are likely to survive waste water treatment, as well as what by-products are for...

Analysis of Engineered Nanomaterials in Complex Matricies (Environment and Biota): General Considerations and Conceptual Case Studies

EPA Science Inventory

Advances in the study of the environmental fate, transport, and ecotoxicological effects of engineered nanomaterials (ENMs) have been hampered by a lack of adequate techniques for the detection and quantification of ENMs at environmentally relevant concentrations in complex media...

Application of counterpropagation artificial neural network for modelling properties of fish antibiotics.

PubMed

Maran, E; Novic, M; Barbieri, P; Zupan, J

2004-01-01

The present study focuses on fish antibiotics which are an important group of pharmaceuticals used in fish farming to treat infections and, until recently, most of them have been exposed to the environment with very little attention. Information about the environmental behaviour and the description of the environmental fate of medical substances are difficult or expensive to obtain. The experimental information in terms of properties is reported when available, in other cases, it is estimated by standard tools as those provided by the United States Environmental Protection Agency EPISuite software and by custom quantitative structure-activity relationship (QSAR) applications. In this study, a QSAR screening of 15 fish antibiotics and 132 xenobiotic molecules was performed with two aims: (i) to develop a model for the estimation of octanol--water partition coefficient (logP) and (ii) to estimate the relative binding affinity to oestrogen receptor (log RBA) using a model constructed on the activities of 132 xenobiotic compounds. The custom models are based on constitutional, topological, electrostatic and quantum chemical descriptors computed by the CODESSA software. Kohonen neural networks (self organising maps) were used to study similarity between the considered chemicals while counter-propagation artificial neural networks were used to estimate the properties.

UNMIX Methods Applied to Characterize Sources of Volatile Organic Compounds in Toronto, Ontario

PubMed Central

Porada, Eugeniusz; Szyszkowicz, Mieczysław

2016-01-01

UNMIX, a sensor modeling routine from the U.S. Environmental Protection Agency (EPA), was used to model volatile organic compound (VOC) receptors in four urban sites in Toronto, Ontario. VOC ambient concentration data acquired in 2000–2009 for 175 VOC species in four air quality monitoring stations were analyzed. UNMIX, by performing multiple modeling attempts upon varying VOC menus—while rejecting the results that were not reliable—allowed for discriminating sources by their most consistent chemical characteristics. The method assessed occurrences of VOCs in sources typical of the urban environment (traffic, evaporative emissions of fuels, banks of fugitive inert gases), industrial point sources (plastic-, polymer-, and metalworking manufactures), and in secondary sources (releases from water, sediments, and contaminated urban soil). The remote sensing and robust modeling used here produces chemical profiles of putative VOC sources that, if combined with known environmental fates of VOCs, can be used to assign physical sources’ shares of VOCs emissions into the atmosphere. This in turn provides a means of assessing the impact of environmental policies on one hand, and industrial activities on the other hand, on VOC air pollution. PMID:29051416

Three-Dimensional Subsurface Flow, Fate and Transport of Microbes and Chemicals (3DFATMIC) Model

EPA Pesticide Factsheets

This model simulates subsurface flow, fate and transport of contaminants that are undergoing chemical or biological transformations. The model is applicable to transient conditions in both saturated and unsaturated zones.

Two-Dimensional Subsurface Flow, Fate and Transport of Microbes and Chemicals (2DFATMIC) Model

EPA Pesticide Factsheets

This model simulates subsurface flow, fate, and transport of contaminants that are undergoing chemical or biological transformations. This model is applicable to transient conditions in both saturated and unsaturated zones.

Pieces of the Puzzle: Tracking the Chemical Component of the ...

EPA Pesticide Factsheets

This presentation provides an overview of the risk assessment conducted at the U.S. EPA, as well as some research examples related to the exposome concept. This presentation also provides the recommendation of using two organizational and predictive frameworks for tracking chemical components in the exposome. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

Halogenated methyl-phenyl ethers (anisoles) in the environment: determination of vapor pressures, aqueous solubilities, Henry's law constants, and gas/water- (Kgw), n-octanol/water- (Kow) and gas/n-octanol (Kgo) partition coefficients.

PubMed

Pfeifer, O; Lohmann, U; Ballschmiter, K

2001-11-01

Halogenated methyl-phenyl ethers (methoxybenzenes, anisoles) are ubiquitous organics in the environment although they are not produced in industrial quantities. Modelling the fate of organic pollutants such as halogenated anisoles requires a knowledge of the fundamental physico-chemical properties of these compounds. The isomer-specific separation and detection of 60 of the 134 possible congeners allowing an environmental fingerprinting are reported in this study. The vapor pressure p0(L) of more than 60 and further physico-chemical properties of 26 available congeners are given. Vapor pressures p0(L), water solubilities S(L)W, and n-octanol/water partition coefficients Kow were determined by capillary HR-GC (High Resolution Gas Chromatography) on a non-polar phase and by RP-HPLC (Reversed Phase High Performance Liquid Chromatography) on a C18 phase with chlorobenzenes as reference standards. From these experimental data the Henry's law constants H, and the gas/water Kgw and gas/n-octanol Kgo partition coefficients were calculated. We found that vapor pressures, water solubilities, and n-octanol/water partition coefficients of the halogenated anisoles are close to those of the chlorobenzenes. A similar environmental fate of both groups can, therefore, be predicted.

Impacts of Lateral Boundary Conditions on US Ozone ...

EPA Pesticide Factsheets

Chemical boundary conditions are a key input to regional-scale photochemical models. In this study, we perform annual simulations over North America with chemical boundary conditions prepared from two global models (GEOS-CHEM and Hemispheric CMAQ). Results indicate that the impacts of different boundary conditions on ozone can be significant throughout the year. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

Tulane/Xavier University Hazardous Materials in Aquatic Environments of the Mississippi River Basin. Quarterly progress report, January 1, 1995--March 31, 1995

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1995-05-01

This progress report covers activities for the period January 1 - March 31, 1995 on project concerning `Hazardous Materials in Aquatic Environments of the Mississippi River Basin.` The following activities are each summarized by bullets denoting significant experiments/findings: biotic and abiotic studies on the biological fate, transport and ecotoxicity of toxic and hazardous waste in the Mississippi River Basin; assessment of mechanisms of metal-induced reproductive toxicity in quatic species as a biomarker of exposure; hazardous wastes in aquatic environments: biological uptake and metabolism studies; ecological sentinels of aquatic contamination in the lower Mississippi River system; bioremediation of selected contaminants inmore » aquatic environments of the Mississippi River Basin; a sensitive rapid on-sit immunoassay for heavy metal contamination; pore-level flow, transport, agglomeration and reaction kinetics of microorganism; biomarkers of exposure and ecotoxicity in the Mississippi River Basin; natural and active chemical remediation of toxic metals, organics and radionuclides in the aquatic environment; expert geographical information systems for assessing hazardous wastes in aquatic environments; enhancement of environmental education; and a number of just initiated projects including fate and transport of contaminants in aquatic environments; photocatalytic remediation; radionuclide fate and modeling from Chernobyl.« less

Emerging Patterns for Engineered Nanomaterials in the Environment: A Review of Fate and Toxicity Studies

NASA Astrophysics Data System (ADS)

Garner, K.; Keller, A. A.

2014-12-01

The technical complexity of measuring ENM fate and transport processes in all environments necessitates identifying trends in these same processes. As part of our research, we collected emerging information on the environmental fate and toxicity of many ENMs and investigated transportation and transformation processes in air, water, and soil. Generally, studies suggest that (i) ENMs will have limited transport in the atmosphere, because they settle rapidly; (ii) ENMs are more stable in freshwater and stormwater than in seawater or groundwater primarily due to variations in ionic strength and the presence of natural organic matter; and (iii) in soil, the fate of ENMs strongly depends on the size of the ENM aggregates and groundwater chemistry, as well as pore and soil particle size. Emerging patterns regarding ENM fate, transport, and exposure combined with emerging information on toxicity indicate the risk is low for most ENMs although current exposure estimates compared with current data on toxicity indicate that at current production and release levels, exposure to Ag, nZVI, and ZnO may cause a toxic response to freshwater and marine species.

Covalent Binding of Aromatic Amines to Natural Organic Matter: Study of Reaction Mechanisms and Development of Remediation Schemes

EPA Science Inventory

Aromatic amines comprise an important class of environmental contaminants. Concern over their environmental fate arises from the toxic effects that certain aromatic amines exhibit toward microbial populations and reports that they can be toxic or carcinogenic to animals. Aromatic...

Co-variation of metabolic rates and cell-size in coccolithophores

NASA Astrophysics Data System (ADS)

Aloisi, G.

2015-04-01

Coccolithophores are sensitive recorders of environmental change. The size of their coccosphere varies in the ocean along gradients of environmental conditions and provides a key for understanding the fate of this important phytoplankton group in the future ocean. But interpreting field changes in coccosphere size in terms of laboratory observations is hard, mainly because the marine signal reflects the response of multiple morphotypes to changes in a combination of environmental variables. In this paper I examine the large corpus of published laboratory experiments with coccolithophores looking for relations between environmental conditions, metabolic rates and cell size (a proxy for coccosphere size). I show that growth, photosynthesis, and to a lesser extent calcification, co-vary with cell size when pCO2, irradiance, temperature, nitrate, phosphate and iron conditions change. With the exception of phosphate and temperature, a change from limiting to non-limiting conditions always results in an increase in cell size. An increase in phosphate or temperature produces the opposite effect. The magnitude of the coccosphere size changes observed in the laboratory is comparable to that observed in the ocean. If the biological reasons behind the environment-metabolism-size link are understood, it will be possible to use coccosphere size changes in the modern ocean and in marine sediments to investigate the fate of coccolithophores in the future ocean. This reasoning can be extended to the size of coccoliths if, as recent experiments are starting to show, coccolith size reacts to environmental change proportionally to coccosphere size. I introduce a simple model that simulates the growth rate and the size of cells forced by nitrate and phosphate concentrations. By considering a simple rule that allocates the energy flow from nutrient acquisition to cell structure (biomass) and cell maturity (biological complexity, eventually leading to cell division), the model is able to reproduce the co-variation of growth rate and cell size observed in the laboratory when these nutrients become limiting. These results support ongoing efforts to interpret coccosphere and coccolith size measurements in the context of climate change.

BETR North America: A regionally segmented multimedia contaminant fate model for North America

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacLeod, M.; Woodfine, D.G.; Mackay, D.

We present the Berkeley-Trent North American contaminant fate model (BETR North America), a regionally segmented multimedia contaminant fate model based on the fugacity concept. The model is built on a framework that links contaminant fate models of individual regions, and is generally applicable to large, spatially heterogeneous areas. The North American environment is modeled as 24 ecological regions, within each region contaminant fate is described using a 7 compartment multimedia fugacity model including a vertically segmented atmosphere, freshwater, freshwater sediment, soil, coastal water and vegetation compartments. Inter-regional transport of contaminants in the atmosphere, freshwater and coastal water is described usingmore » a database of hydrological and meteorological data compiled with Geographical Information Systems (GIS) techniques. Steady-state and dynamic solutions to the 168 mass balance equations that make up the linked model for North America are discussed, and an illustrative case study of toxaphene transport from the southern United States to the Great Lakes Basin is presented. Regionally segmented models such as BETR North America can provide a critical link between evaluative models of long-range transport potential and contaminant concentrations observed in remote regions. The continent-scale mass balance calculated by the model provides a sound basis for evaluating long-range transport potential of organic pollutants, and formulation of continent scale management and regulatory strategies for chemicals.« less

Speed regulation of genetic cascades allows for evolvability in the body plan specification of insects

PubMed Central

Zhu, Xin; Rudolf, Heike; Healey, Lucas; François, Paul; Brown, Susan J.; Klingler, Martin; El-Sherif, Ezzat

2017-01-01

During the anterior−posterior fate specification of insects, anterior fates arise in a nonelongating tissue (called the “blastoderm”), and posterior fates arise in an elongating tissue (called the “germband”). However, insects differ widely in the extent to which anterior−posterior fates are specified in the blastoderm versus the germband. Here we present a model in which patterning in both the blastoderm and germband of the beetle Tribolium castaneum is based on the same flexible mechanism: a gradient that modulates the speed of a genetic cascade of gap genes, resulting in the induction of sequential kinematic waves of gap gene expression. The mechanism is flexible and capable of patterning both elongating and nonelongating tissues, and hence converting blastodermal to germband fates and vice versa. Using RNAi perturbations, we found that blastodermal fates could be shifted to the germband, and germband fates could be generated in a blastoderm-like morphology. We also suggest a molecular mechanism underlying our model, in which gradient levels regulate the switch between two enhancers: One enhancer is responsible for sequential gene activation, and the other is responsible for freezing temporal rhythms into spatial patterns. This model is consistent with findings in Drosophila melanogaster, where gap genes were found to be regulated by two nonredundant “shadow” enhancers. PMID:28973882

Assessing the polycyclic aromatic hydrocarbon (PAH) pollution of urban stormwater runoff: a dynamic modeling approach.

PubMed

Zheng, Yi; Lin, Zhongrong; Li, Hao; Ge, Yan; Zhang, Wei; Ye, Youbin; Wang, Xuejun

2014-05-15

Urban stormwater runoff delivers a significant amount of polycyclic aromatic hydrocarbons (PAHs), mostly of atmospheric origin, to receiving water bodies. The PAH pollution of urban stormwater runoff poses serious risk to aquatic life and human health, but has been overlooked by environmental modeling and management. This study proposed a dynamic modeling approach for assessing the PAH pollution and its associated environmental risk. A variable time-step model was developed to simulate the continuous cycles of pollutant buildup and washoff. To reflect the complex interaction among different environmental media (i.e. atmosphere, dust and stormwater), the dependence of the pollution level on antecedent weather conditions was investigated and embodied in the model. Long-term simulations of the model can be efficiently performed, and probabilistic features of the pollution level and its risk can be easily determined. The applicability of this approach and its value to environmental management was demonstrated by a case study in Beijing, China. The results showed that Beijing's PAH pollution of road runoff is relatively severe, and its associated risk exhibits notable seasonal variation. The current sweeping practice is effective in mitigating the pollution, but the effectiveness is both weather-dependent and compound-dependent. The proposed modeling approach can help identify critical timing and major pollutants for monitoring, assessing and controlling efforts to be focused on. The approach is extendable to other urban areas, as well as to other contaminants with similar fate and transport as PAHs. Copyright © 2014 Elsevier B.V. All rights reserved.

Environmental Fate Model for Ultra-Low-Volume Insecticide Applications Used for Adult Mosquito Management

DTIC Science & Technology

2012-01-01

h. Applica- tions occurred when the prevailing wind was blowing perpendicular to the collection site (Fig. 1). Sprays were conducted using a Guardian...min. Permanone 30–30 was mixed 1:2:1 with Crystal Plus 70 T light mineral oil (STE Oil Company, Inc., San Marcos, TX, USA) and ACS grade toluene and...applied at a flow rate of 192 ml/min. Scourge 18+54wasmixed at 1:0.4:0.4with Crystal Plus 70 T light mineral oil and ACS grade toluene and applied at a

Development and application of air quality models at the US ...

EPA Pesticide Factsheets

Overview of the development and application of air quality models at the U.S. EPA, particularly focused on the development and application of the Community Multiscale Air Quality (CMAQ) model developed within the Computation Exposure Division (CED) of the National Exposure Research Laboratory (NERL). This presentation will provide a simple overview of air quality model development and application geared toward a non-technical student audience. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

A modelling framework for the transport, transformation and biouptake of manufactured nanoparticles in the aquatic environment

NASA Astrophysics Data System (ADS)

Lofts, Stephen; Keller, Virginie; Dumont, Egon; Williams, Richard; Praetorius, Antonia; von der Kammer, Frank

2016-04-01

The development of innovative new chemical products is a key aspect of the modern economy, yet society demands that such development is environmentally sustainable. Developing knowledge of how new classes of chemicals behave following release to the environment is key to understanding the hazards that will potentially result. Nanoparticles are a key example of a class of chemicals that have undergone a significant expansion in production and use in recent years and so there is a need to develop tools to predict their potential hazard following their deliberate or incidental release to the environment. Generalising the understanding of the environmental behaviour of manufactured nanoparticles in general is challenging, as they are chemically and physically diverse (e.g. metals, metal oxides, carbon nanotubes, cellulose, quantum dots). Furthermore, nanoparticles may be manufactured with capping agents to modify their desired behaviour in industrial applications; such agents may also influence their environmental behaviour. Also, nanoparticles may become significantly modified from their as-manufactured forms both prior to and after the point of environmental release. Tools for predicting nanoparticle behaviour and hazard need to be able to consider a wide range of release scenarios and aspects of nanoparticle behaviour in the environment (e.g. dissolution, transformation of capping agents, agglomeration and aggregation behaviour), where such behaviours are not shared by all types of nanoparticle. This implies the need for flexible, futureproofed tools capable of being updated to take new understanding of behavioural processes into account as such knowledge emerges. This presentation will introduce the NanoFASE model system, a multimedia modelling framework for the transport, transformation and biouptake of manufactured nanoparticles. The complete system will comprise atmospheric, terrestrial and aquatic compartments to allow holistic simulation of nanoparticles; this presentation will focus on the aquatic compartment but will demonstrate the linkages with the other compartments. The system is intended for application at scales up to a large European river catchment at a resolution suitable for assessing spatially-resolved fate and biouptake. The model will be built around a transport framework which will deal with the bulk movement of water, sediments and nanoparticles through the system. Transformation processes such as dissolution, capping agent transformation, sorption of environmental molecules to particle surfaces, heteroaggregation with sediments, will be dealt with within 'reactors' with each grid cell. The reactor concept is intended to provide a separation between transport and transformation process, to allow alternative formulations of transformation processes for different classes of nanoparticles, and to allow new and updated formulations to be readily incorporated. Using this structure we aim to develop a flexible system capable of simulating the environmental transformation and fate of diverse nanoparticle classes under varying release scenarios. We will show conceptual model structures for release scenarios most relevant to the aquatic environment.

Simulation of pesticide dissipation in soil at the catchment scale over 23 years

NASA Astrophysics Data System (ADS)

Queyrel, Wilfried; Florence, Habets; Hélène, Blanchoud; Céline, Schott; Laurine, Nicola

2014-05-01

Pesticide applications lead to contamination risks of environmental compartments causing harmful effects on water resource used for drinking water. Pesticide fate modeling is assumed to be a relevant approach to study pesticide dissipation at the catchment scale. Simulations of five herbicides (atrazine, simazine, isoproturon, chlortoluron, metolachor) and one metabolite (DEA) were carried out with the crop model STICS over a 23-year period (1990-2012). The model application was performed using real agricultural practices over a small rural catchment (104 km²) located at 60km east from Paris (France). Model applications were established for two crops: wheat and maize. The objectives of the study were i) to highlight the main processes implied in pesticide fate and transfer at long-term; ii) to assess the influence of dynamics of the remaining mass of pesticide in soil on transfer; iii) to determine the most sensitive parameters related to pesticide losses by leaching over a 23-year period. The simulated data related to crop yield, water transfer, nitrates and pesticide concentrations were first compared to observations over the 23-year period, when measurements were available at the catchment scale. Then, the evaluation of the main processes related to pesticide fate and transfer was performed using long-term simulations at a yearly time step and monthly average variations. Analyses of the monthly average variations were oriented on the impact of pesticide application, water transfer and pesticide transformation on pesticide leaching. The evolution of the remaining mass of pesticide in soil, including the mobile phase (the liquid phase) and non-mobile (adsorbed at equilibrium and non-equilibrium), was studied to evaluate the impact of pesticide stored in soil on the fraction available for leaching. Finally, a sensitivity test was performed to evaluate the more sensitive parameters regarding the remaining mass of pesticide in soil and leaching. The findings of the study show that the dynamic of the remaining mass of pesticide in soil is a relevant issue to understand pesticide dissipation at long term. Attention must be paid on parameters influencing sorption and availability of the pesticide for leaching. To conclude, the significant discrepancies in the simulated pesticide leaching for the two types of crops (maize and wheat) highlight the interest of using a crop model to simulate the fate of pesticides at the catchment scale.

A generic, cross-chemical predictive PBTK model with multiple entry routes running as application in MS Excel; design of the model and comparison of predictions with experimental results.

PubMed

Jongeneelen, Frans J; Berge, Wil F Ten

2011-10-01

Physiologically based toxicokinetic (PBTK) models are computational tools, which simulate the absorption, distribution, metabolism, and excretion of chemicals. The purpose of this study was to develop a physiologically based pharmacokinetic (PBPK) model with a high level of transparency. The model should be able to predict blood and urine concentrations of environmental chemicals and metabolites, given a certain environmental or occupational exposure scenario. The model refers to a reference human of 70 kg. The partition coefficients of the parent compound and its metabolites (blood:air and tissue:blood partition coefficients of 11 organs) are estimated by means of quantitative structure-property relationship, in which five easily available physicochemical properties of the compound are the independent parameters. The model gives a prediction of the fate of the compound, based on easily available chemical properties; therefore, it can be applied as a generic model applicable to multiple compounds. Three routes of uptake are considered (inhalation, dermal, and/or oral) as well as two built-in exercise levels (at rest and at light work). Dermal uptake is estimated by the use of a dermal diffusion-based module that considers dermal deposition rate and duration of deposition. Moreover, evaporation during skin contact is fully accounted for and related to the volatility of the substance. Saturable metabolism according to Michaelis-Menten kinetics can be modelled in any of 11 organs/tissues or in liver only. Renal tubular resorption is based on a built-in algorithm, dependent on the (log) octanol:water partition coefficient. Enterohepatic circulation is optional at a user-defined rate. The generic PBTK model is available as a spreadsheet application in MS Excel. The differential equations of the model are programmed in Visual Basic. Output is presented as numerical listing over time in tabular form and in graphs. The MS Excel application of the PBTK model is available as freeware. The accuracy of the model prediction is illustrated by simulating experimental observations. Published experimental inhalation and dermal exposure studies on a series of different chemicals (pyrene, N-methyl-pyrrolidone, methyl-tert-butylether, heptane, 2-butoxyethanol, and ethanol) were selected to compare the observed data with the model-simulated data. The examples show that the model-predicted concentrations in blood and/or urine after inhalation and/or transdermal uptake have an accuracy of within an order of magnitude. It is advocated that this PBTK model, called IndusChemFate, is suitable for 'first tier assessments' and for early explorations of the fate of chemicals and/or metabolites in the human body. The availability of a simple model with a minimum burden of input information on the parent compound and its metabolites might be a stimulation to apply PBTK modelling more often in the field of biomonitoring and exposure science.

Fate, behaviour and weathering of priority HNS in the marine environment: An online tool.

PubMed

Cunha, Isabel; Oliveira, Helena; Neuparth, Teresa; Torres, Tiago; Santos, Miguel Machado

2016-10-15

Literature data and data obtained with modelling tools were compiled to derive the physicochemical behaviour of 24 priority Hazardous and Noxious Substances (HNS), as a proxy to improve environmental, public health and political issues in relation to HNS spills. Parameters that rule the HNS behaviour in water and those that determine their distribution and persistence in the environment, such as fugacity, physicochemical degradation, biodegradation, bioaccumulation/biotransformation and aquatic toxicity, were selected. Data systematized and produced in the frame of the Arcopol Platform project was made available through a public database (http://www.ciimar.up.pt/hns/substances.php). This tool is expected to assist stakeholders involved in HNS spills preparedness and response, policy makers and legislators, as well as to contribute to a current picture of the scientific knowledge on the fate, behaviour, weathering and toxicity of priority HNS, being essential to support future improvements in maritime safety and coastal pollution response before, during and after spill incidents. Copyright © 2016 Elsevier Ltd. All rights reserved.

Mathematical and Numerical Techniques in Energy and Environmental Modeling

NASA Astrophysics Data System (ADS)

Chen, Z.; Ewing, R. E.

Mathematical models have been widely used to predict, understand, and optimize many complex physical processes, from semiconductor or pharmaceutical design to large-scale applications such as global weather models to astrophysics. In particular, simulation of environmental effects of air pollution is extensive. Here we address the need for using similar models to understand the fate and transport of groundwater contaminants and to design in situ remediation strategies. Three basic problem areas need to be addressed in the modeling and simulation of the flow of groundwater contamination. First, one obtains an effective model to describe the complex fluid/fluid and fluid/rock interactions that control the transport of contaminants in groundwater. This includes the problem of obtaining accurate reservoir descriptions at various length scales and modeling the effects of this heterogeneity in the reservoir simulators. Next, one develops accurate discretization techniques that retain the important physical properties of the continuous models. Finally, one develops efficient numerical solution algorithms that utilize the potential of the emerging computing architectures. We will discuss recent advances and describe the contribution of each of the papers in this book in these three areas. Keywords: reservoir simulation, mathematical models, partial differential equations, numerical algorithms

Mechanisms and Kinetics of Alkaline Hydrolysis of the Energetic Nitroaromatic Compounds 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salter-Blanc, Alexandra J.; Bylaska, Eric J.; Ritchie, Julia J.

2013-07-02

The environmental impacts of energetic compounds can be minimized through the design and selection of new energetic materials with favorable fate properties. Building predictive models to inform this process, however, is difficult because of uncertainties and complexities in some major fate-determining transformation reactions such as the alkaline hydrolysis of energetic nitroaromatic compounds (NACs). Prior work on the mechanisms of the reaction between NACs and OH– has yielded inconsistent results. In this study, the alkaline hydrolysis of 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN) was investigated with coordinated experimental kinetic measurements and molecular modeling calculations. For TNT, the results suggest reversible formation ofmore » an initial product, which is likely either a Meisenheimer complex or a TNT anion formed by abstraction of a methyl proton by OH–. For DNAN, the results suggest that a Meisenheimer complex is an intermediate in the formation of 2,4-dinitrophenolate. Despite these advances, the remaining uncertainties in the mechanisms of these reactions—and potential variability between the hydrolysis mechanisms for different NACs—mean that it is not yet possible to generalize the results into predictive models (e.g., quantitative structure–activity relationships, QSARs) for hydrolysis of other NACs.« less

Mechanisms and kinetics of alkaline hydrolysis of the energetic nitroaromatic compounds 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN).

PubMed

Salter-Blanc, Alexandra J; Bylaska, Eric J; Ritchie, Julia J; Tratnyek, Paul G

2013-07-02

The environmental impacts of energetic compounds can be minimized through the design and selection of new energetic materials with favorable fate properties. Building predictive models to inform this process, however, is difficult because of uncertainties and complexities in some major fate-determining transformation reactions such as the alkaline hydrolysis of energetic nitroaromatic compounds (NACs). Prior work on the mechanisms of the reaction between NACs and OH(-) has yielded inconsistent results. In this study, the alkaline hydrolysis of 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN) was investigated with coordinated experimental kinetic measurements and molecular modeling calculations. For TNT, the results suggest reversible formation of an initial product, which is likely either a Meisenheimer complex or a TNT anion formed by abstraction of a methyl proton by OH(-). For DNAN, the results suggest that a Meisenheimer complex is an intermediate in the formation of 2,4-dinitrophenolate. Despite these advances, the remaining uncertainties in the mechanisms of these reactions-and potential variability between the hydrolysis mechanisms for different NACs-mean that it is not yet possible to generalize the results into predictive models (e.g., quantitative structure-activity relationships, QSARs) for hydrolysis of other NACs.

Ecological risk assessment of depleted uranium in the environment at Aberdeen Proving Ground

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clements, W.H.; Kennedy, P.L.; Myers, O.B.

1993-01-01

A preliminary ecological risk assessment was conducted to evaluate the effects of depleted uranium (DU) in the Aberdeen Proving Ground (APG) ecosystem and its potential for human health effects. An ecological risk assessment of DU should include the processes of hazard identification, dose-response assessment, exposure assessment, and risk characterization. Ecological risk assessments also should explicitly examine risks incurred by nonhuman as well as human populations, because risk assessments based only on human health do not always protect other species. To begin to assess the potential ecological risk of DU release to the environment we modeled DU transport through the principalmore » components of the aquatic ecosystem at APG. We focused on the APG aquatic system because of the close proximity of the Chesapeake Bay and concerns about potential impacts on this ecosystem. Our objective in using a model to estimate environmental fate of DU is to ultimately reduce the uncertainty about predicted ecological risks due to DU from APG. The model functions to summarize information on the structure and functional properties of the APG aquatic system, to provide an exposure assessment by estimating the fate of DU in the environment, and to evaluate the sources of uncertainty about DU transport.« less

Ecological risk assessment of depleted uranium in the environment at Aberdeen Proving Ground. Annual report, 1991

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clements, W.H.; Kennedy, P.L.; Myers, O.B.

1993-03-01

A preliminary ecological risk assessment was conducted to evaluate the effects of depleted uranium (DU) in the Aberdeen Proving Ground (APG) ecosystem and its potential for human health effects. An ecological risk assessment of DU should include the processes of hazard identification, dose-response assessment, exposure assessment, and risk characterization. Ecological risk assessments also should explicitly examine risks incurred by nonhuman as well as human populations, because risk assessments based only on human health do not always protect other species. To begin to assess the potential ecological risk of DU release to the environment we modeled DU transport through the principalmore » components of the aquatic ecosystem at APG. We focused on the APG aquatic system because of the close proximity of the Chesapeake Bay and concerns about potential impacts on this ecosystem. Our objective in using a model to estimate environmental fate of DU is to ultimately reduce the uncertainty about predicted ecological risks due to DU from APG. The model functions to summarize information on the structure and functional properties of the APG aquatic system, to provide an exposure assessment by estimating the fate of DU in the environment, and to evaluate the sources of uncertainty about DU transport.« less

Flexing the PECs: Predicting environmental concentrations of veterinary drugs in Canadian agricultural soils.

PubMed

Kullik, Sigrun A; Belknap, Andrew M

2017-03-01

Veterinary drugs administered to food animals primarily enter ecosystems through the application of livestock waste to agricultural land. Although veterinary drugs are essential for protecting animal health, their entry into the environment may pose a risk for nontarget organisms. A means to predict environmental concentrations of new veterinary drug ingredients in soil is required to assess their environmental fate, distribution, and potential effects. The Canadian predicted environmental concentrations in soil (PECsoil) for new veterinary drug ingredients for use in intensively reared animals is based on the approach currently used by the European Medicines Agency for VICH Phase I environmental assessments. The calculation for the European Medicines Agency PECsoil can be adapted to account for regional animal husbandry and land use practices. Canadian agricultural practices for intensively reared cattle, pigs, and poultry differ substantially from those in the European Union. The development of PECsoil default values and livestock categories representative of typical Canadian animal production methods and nutrient management practices culminates several years of research and an extensive survey and analysis of the scientific literature, Canadian agricultural statistics, national and provincial management recommendations, veterinary product databases, and producers. A PECsoil can be used to rapidly identify new veterinary drugs intended for intensive livestock production that should undergo targeted ecotoxicity and fate testing. The Canadian PECsoil model is readily available, transparent, and requires minimal inputs to generate a screening level environmental assessment for veterinary drugs that can be refined if additional data are available. PECsoil values for a hypothetical veterinary drug dosage regimen are presented and discussed in an international context. Integr Environ Assess Manag 2017;13:331-341. © 2016 Her Majesty the Queen in Right of Canada. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of SETAC. Reproduced with the permission of the Minister of Health. © 2016 Her Majesty the Queen in Right of Canada. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of SETAC. Reproduced with the permission of the Minister of Health.

Testing the FOCUS model PEARL in an Italian site

NASA Astrophysics Data System (ADS)

Bouraoui, F.; Bidoglio, G.

2003-04-01

Pesticides are integral part of the modern agricultural production system . The use of pesticide has soared during the post war period, and now the consumption of pesticide has been reducing in Europe. However, the reduction is difficult to attribute to one specific factor since the application of pesticide is highly variable and linked to climatic, out-breaks of diseases, etc. Furthermore, new molecules are being produced which are more efficient and require a lower dosage. In the EU, the placing on the market of Plant Protection Products (PPP) is regulated at the Community Level by the Council Directive (91/414/EEC). The PPP stresses the need of validated models to calculate predicted environmental concentrations. In this context, European Commission set up a FOrum for the Co-ordination of pesticide fate models and their USe (FOCUS). In a complementary effort, DG research supported the APECOP project with one major objective being the validation and improvement of existing pesticide fate models. The research presented here focuses on the validation of the PEARL model in an Italian site. The PEARL model, which is one of the FOCUS model, is actually used in the Dutch pesticide registration procedure. The test site is located near Bologna (Italy). The 35 months long experiment was conducted on a 107m by 28m plot with a loamy soil for . The experiment involved the application of KBr as a tracer and two applications of ethoprophos and three applications of Aclonifen. A sequential approach was used for the Bologna site. During this exercise only the measured soil physical parameters were used. The simulation with the PEARL model yielded negative values for both soil moisture profile and pesticide content. In a second step, the water transport module was calibrated, using measured soil moisture profile. This improved greatly the prediction of the soil water balance. Information relative to pesticide degradation and sorption where then included. This allowed a good prediction of the pesticide behaviour in the vadose zone. A sensitivity analysis of the model showed that once calibrated, the major parameters affecting the fate of pesticides in the soil profiles are those related to pesticide properties, while parameter linked with water transport had a much lesser effect.

Degradation of disperse blue 79 in anaerobic sediment-water systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weber, E.J.

1988-09-01

In recent years, concern over the environmental fate of the disperse azo dyes in natural water systems has grown. This concern arises from the fact that these dyes are very hydrophobic compounds, suggesting that they will partition strongly to bottom sediments where reductive cleavage of the azo linkage may occur. This transformation process could result in the release of potentially hazardous aromatic amines into the water column. Earlier studies in this laboratory demonstrated that the reductive cleavage of simple substituted azobenzenes in anaerobic sediment-water systems is a facile process. To determine whether reductive transformation of disperse azo dyes in naturalmore » water systems is an important environmental process, the fate of disperse Blue 79 in anaerobic sediment-water systems was studied. Disperse Blue 79 was selected for study for several reasons. It is by far the largest volume dye on the market today; the average annual production in the US from 1983 to 1985 was approximately 3.2 million kilograms. Furthermore, the reductive cleavage of the azo linkage of Disperse Blue 79 results in the formation of 2-bromo-4,6-dinitroaniline (BDNA), which has been shown to be both toxic and mutagenic. Recently, the Interagency Testing Committee, a Federal body established under the Toxic Substances Control Act, selected Disperse Blue 79 as a compound needing study with respect to its environmental fate and impact.« less

Introduction to Biotechnology Regulation for Pesticides

EPA Pesticide Factsheets

Includes data requirements for the registration of plant-incorporated protectants (PIP), gene flow assessment, ecological non-target organism risk assessment process, environmental fate, insect resistance management in Bt crops.

VX fate on common matrices: evaporation versus degradation.

PubMed

Columbus, Ishay; Waysbort, Daniel; Marcovitch, Itzhak; Yehezkel, Lea; Mizrahi, Dana M

2012-04-03

A study of the volatilization rate of the nerve agent VX (O-ethyl S-2-(N,N-diisopropylamino)ethyl methylphosphonothiolate) from various urban matrices in a specially designed climatic chamber (model system) is described. The performance of the model system combined with the analytical procedure produced profiles of vapor concentration obtained from samples of VX dispersed as small droplets on the surfaces of the matrices. The results indicated that the bitumen-containing surfaces such as asphalt blocks and bitumen sheets conserve VX and slow-release part of it over a long period of time. No complete mass balance could be obtained for these surfaces. Influence of environmental and experimental parameters as well as the efficacy of decontamination procedure were also measured. From smooth surface tiles a fast release of VX was measured and almost a complete mass balance was obtained, which characterizes the behavior of inert surfaces. Experiments carried out on concrete blocks showed fast decay of the concentration profile along with a very poor reconstruction of the initial quantity of VX, implying that this matrix degraded VX actively due to its multiple basic catalytic sites. To complement this study, solid-state NMR measurements were compared to add data concerning agent-fate within the matrices.

Evaluation of triclosan in Minnesota lakes and rivers: Part I - ecological risk assessment.

PubMed

Lyndall, Jennifer; Barber, Timothy; Mahaney, Wendy; Bock, Michael; Capdevielle, Marie

2017-08-01

Triclosan, an antimicrobial compound found in consumer products, may be introduced into the aquatic environment via residual concentrations in municipal wastewater treatment effluent. We conducted an aquatic risk assessment that incorporated the available measured triclosan data from Minnesota lakes and rivers. Although only data reported from Minnesota were considered in the risk assessment, the developed toxicity benchmarks can be applied to other environments. The data were evaluated using a series of environmental fate models to ensure the data were internally consistent and to fill any data gaps. Triclosan was not detected in over 75% of the 567 surface water and sediment samples. Measured environmental data were used to model the predicted environmental exposures to triclosan in surface water, surface sediment, and biota tissues. Toxicity benchmarks based on fatty acid synthesis inhibition and narcosis were determined for aquatic organisms based, in part, on a species sensitivity distribution of chronic toxicity thresholds from the available literature. Predicted and measured environmental concentrations for surface water, sediment, and tissue were below the effects benchmarks, indicating that exposure to triclosan in Minnesota lakes and rivers would not pose an unacceptable risk to aquatic organisms. Copyright © 2017 Elsevier Inc. All rights reserved.

SENSITIVE PARAMETER EVALUATION FOR A VADOSE ZONE FATE AND TRANSPORT MODEL

EPA Science Inventory

This report presents information pertaining to quantitative evaluation of the potential impact of selected parameters on output of vadose zone transport and fate models used to describe the behavior of hazardous chemicals in soil. The Vadose 2one Interactive Processes (VIP) model...

75 FR 8575 - Testing of Certain High Production Volume Chemicals; Third Group of Chemicals

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-25

... data for health and environmental effects and chemical fate. DATES: Comments must be received on or... mixture or of any combination of such activities on health or the environment can reasonably be determined...)(B), EPA may require any type of health or environmental effects testing necessary to address...

A COMPUTATIONAL CHEMISTRY STUDY OF THE ENVIRONMENTALLY IMPORTANT ACID-CATALYZED HYDROLYSIS OF ATRAZINE AND RELATED 2-CHLORO-S-TRIAZINES

EPA Science Inventory

Many chlorine-containing pesticides, for example 2-chloro-s-triazines, are of great concern both environmentally and toxicologically. As a result, ascertaining or predicting the fate and transport of these compounds in soils and water is of current interest. Transformation pathwa...

Intermolecular Forces as a Key to Understanding the Environmental Fate of Organic Xenobiotics

ERIC Educational Resources Information Center

Casey, Ryan E.; Pittman, Faith A.

2005-01-01

A module that can be incorporated into chemistry or environmental science classes at the high school or undergraduate level is described. The module is divided into a series of segments, each of which incorporates several concepts and results in students making significant predictions about the behavior of organic xenobiotics.

ENVIRONMENTAL BIODEGRADABILITY OF [14C] SINGLE-WALLED CARBON NANOTUBESBY TRAMETES VERSICOLOR AND NATURAL MICROBIAL CULTURES FOUND IN NEWBEDFORD HARBOR SEDIMENT AND AERATED WASTEWATER TREATMENT PLANT SLUDGE

EPA Science Inventory

Little is known about environmental biodegradability or biotransformations of single-walled carbon nanotubes (SWNT). Because of their strong association with aquatic organic matter, detailed knowledge of the ultimate fate and persistence of SWNT requires investigation of possible...

Field Demonstration and Validation of TREECS (trademark) and CTS for the Risk Assessment of Contaminants on Department of Defense (DoD) Ranges

DTIC Science & Technology

2017-04-01

unlimited. N/A The objective of this project was to demonstrate and validate the integrated Training Range Environmental Evaluation and Characterization...Defense (DoD) training and testing ranges. Training Range Environmental Evaluation and Characterization System (TREECS™), Environmental Fate Simulator...Defense (DoD) Ranges” ERDC/EL TR-17-5 ii Abstract The Training Range Environmental Evaluation and Characterization Sys- tem (TREECS™) was developed to

Development and validation of a physiology-based model for the prediction of pharmacokinetics/toxicokinetics in rabbits

PubMed Central

Hermes, Helen E.; Teutonico, Donato; Preuss, Thomas G.; Schneckener, Sebastian

2018-01-01

The environmental fates of pharmaceuticals and the effects of crop protection products on non-target species are subjects that are undergoing intense review. Since measuring the concentrations and effects of xenobiotics on all affected species under all conceivable scenarios is not feasible, standard laboratory animals such as rabbits are tested, and the observed adverse effects are translated to focal species for environmental risk assessments. In that respect, mathematical modelling is becoming increasingly important for evaluating the consequences of pesticides in untested scenarios. In particular, physiologically based pharmacokinetic/toxicokinetic (PBPK/TK) modelling is a well-established methodology used to predict tissue concentrations based on the absorption, distribution, metabolism and excretion of drugs and toxicants. In the present work, a rabbit PBPK/TK model is developed and evaluated with data available from the literature. The model predictions include scenarios of both intravenous (i.v.) and oral (p.o.) administration of small and large compounds. The presented rabbit PBPK/TK model predicts the pharmacokinetics (Cmax, AUC) of the tested compounds with an average 1.7-fold error. This result indicates a good predictive capacity of the model, which enables its use for risk assessment modelling and simulations. PMID:29561908

Functional enzyme-based modeling approach for dynamic simulation of denitrification process in hyporheic zone sediments: Genetically structured microbial community model

NASA Astrophysics Data System (ADS)

Song, H. S.; Li, M.; Qian, W.; Song, X.; Chen, X.; Scheibe, T. D.; Fredrickson, J.; Zachara, J. M.; Liu, C.

2016-12-01

Modeling environmental microbial communities at individual organism level is currently intractable due to overwhelming structural complexity. Functional guild-based approaches alleviate this problem by lumping microorganisms into fewer groups based on their functional similarities. This reduction may become ineffective, however, when individual species perform multiple functions as environmental conditions vary. In contrast, the functional enzyme-based modeling approach we present here describes microbial community dynamics based on identified functional enzymes (rather than individual species or their groups). Previous studies in the literature along this line used biomass or functional genes as surrogate measures of enzymes due to the lack of analytical methods for quantifying enzymes in environmental samples. Leveraging our recent development of a signature peptide-based technique enabling sensitive quantification of functional enzymes in environmental samples, we developed a genetically structured microbial community model (GSMCM) to incorporate enzyme concentrations and various other omics measurements (if available) as key modeling input. We formulated the GSMCM based on the cybernetic metabolic modeling framework to rationally account for cellular regulation without relying on empirical inhibition kinetics. In the case study of modeling denitrification process in Columbia River hyporheic zone sediments collected from the Hanford Reach, our GSMCM provided a quantitative fit to complex experimental data in denitrification, including the delayed response of enzyme activation to the change in substrate concentration. Our future goal is to extend the modeling scope to the prediction of carbon and nitrogen cycles and contaminant fate. Integration of a simpler version of the GSMCM with PFLOTRAN for multi-scale field simulations is in progress.

Modeling Nitrogen Fate and Transport at the Sediment-Water Interface

EPA Science Inventory

Diffusive mass transfer at media interfaces exerts control on the fate and transport of pollutants originating from agricultural and urban landscapes and affects the con-ditions of water bodies. Diffusion is essentially a physical process affecting the distribution and fate of va...

Potentially toxic elements and environmentally-related pollutants recognition using colorimetric and ratiometric fluorescent probes.

PubMed

Rasheed, Tahir; Li, Chuanlong; Bilal, Muhammad; Yu, Chunyang; Iqbal, Hafiz M N

2018-05-30

A safer detection or sensing of toxic pollutants is one among several environmental contamination issues, across the globe. The ever-increasing industrial practices and controlled or uncontrolled release of toxic pollutants from various industrial sectors is a key source of this environmental problem. Significant research efforts have been or being made to tackle this problematic issue to fulfill the growing needs of the modern world. Despite many useful aspects, heavy metals are posing noteworthy toxicological concerns and human-health related issues at various levels of the ecosystem. In this context, notable efforts from various regulatory authorities, the increase in the concentration of these toxic heavy metals in the environment is of serious concern, so real-time monitoring is urgently required. Herein, we reviewed fluorescent sensor based models and their potentialities to address the detection fate of hazardous pollutants including chromium, manganese, cobalt, nickel, copper, and zinc as model elements. The novel aspects of turn-on/off fluorescent sensors have also been discussed from a state of the art viewpoint. In summary, comprehensive literature regarding fluorescent sensor based models and their potentialities to detect various types of toxic pollutants is reviewed. Copyright © 2018 Elsevier B.V. All rights reserved.

Environmental Designer Drugs: When Transformation May Not Eliminate Risk

PubMed Central

2015-01-01

Environmental transformation processes, including those occurring in natural and engineered systems, do not necessarily drastically alter molecular structures of bioactive organic contaminants. While the majority of generated transformation products are likely benign, substantial conservation of structure in transformation products can imply conservation or even creation of bioactivity across multiple biological end points and thus incomplete mitigation of ecological risk. Therefore, focusing solely on parent compound removal for contaminants of higher relative risk, the most common approach to fate characterization, provides no mechanistic relationship to potential biological effects and is inadequate as a comprehensive metric for reduction of ecological risks. Here, we explore these phenomena for endocrine-active steroid hormones, focusing on examples of conserved bioactivity and related implications for fate assessment, regulatory approaches, and research opportunities. PMID:25216024

Global, spatial, and temporal sensitivity analysis for a complex pesticide fate and transport model.

EPA Science Inventory

Background/Questions/Methods As one ofthe most heavily used exposure models by U.S. EPA, Pesticide Root Zone Model (PRZM) is a one-dimensional, dynamic, compartment model that predicts the fate and transport of a pesticide in the unsaturated soil system around a plant's root zo...

Analytical Determination of KDOC-Values of Polycyclic Musk Compounds with HS-SPME and GC/MS/MS

NASA Astrophysics Data System (ADS)

Böhm, L.; Düring, R.-A.

2009-04-01

Polycyclic musk compounds, used as fragrances in cosmetics and detergents, get into rivers via domestic wastewater and sewage treatment plants and with sewage sludge as fertilizer into soils. Because of their persistence and lipophilic character they accumulate in biota, so they are pollutants with environmental relevance. The coefficient KDOC is used to quantify the distribution of substances between aqueous phase and dissolved organic matter (DOM) which is quantified by the determination of dissolved organic carbon (DOC). DOM is of specific relevance for the transport and fate of persistent and lipophilic compounds in the environment. The affinity to DOM increases, the more lipophilic a substance is. So the environmental mobility is enhanced with increasing binding on DOM. For that reason, measured KDOC-values are important to predict the fate and behaviour of chemicals in the environment and should be used for environmental fate modelling purposes. LITZ ET AL. (2007) state that, to carry out a risk-assessment for polycyclic musk compounds, further research on their sorption-behaviour is necessary. For the determination of KDOC-values, different concentrations of humic acid were spiked with a multi-component stock solution. The samples were analysed with headspace solid-phase microextraction in combination with gas chromatography coupled with mass spectrometry (HS-SPME GC/MS/MS). The KDOC-values were calculated according to YABUTA ET AL. (2004). The method was validated with single substance stock solutions and with polycyclic aromatic hydrocarbons (PAHs). The results show that the method is applicable, repeatable and suitable to get KDOC-values for many substances very fast, cheap and solvent-free. With our results KDOC-values for polycyclic musk compounds were determined for the first time. Literature LITZ, N. TH., MüLLER, J. AND BöHMER, W. (2007): Occurrence of Polycyclic Musks in Sewage Sludge and their Behaviour in Soils and Plants. Part 2: Investigation of Polycyclic Musks in Soils and Plants. J Soils Sediments 7: 36-44 YABUTA, H., FUKUSHIMA, M., TANAKA, F., ICHIKAWA, H. AND TATSUMI, K. (2004): Solid-phase Microextraction for the Evaluation of Partition Coefficients of a Chlorinated Dioxin and Hexachlorobenzene into Humic Substances. Anal. Sci. 20: 787-791

Evaluation Of Biocides for Potential Treatment of Ballast Water

DTIC Science & Technology

2004-10-01

in the marine environment . • Conduct laboratory bench-scale studies aimed at the effects of marine environmental conditions, efficacy, and fate of...aquatic environment or for storage or transportation; a “2” denotes that there are no environmental regulations associated with the biocide or its...animals, and the environment . The removal of barriers to trade will not be at the expense of lowering health and environmental protection. IMO Anti

Evaluating officially reported polycyclic aromatic hydrocarbon emissions in the Athabasca oil sands region with a multimedia fate model.

PubMed

Parajulee, Abha; Wania, Frank

2014-03-04

Emissions of organic substances with potential toxicity to humans and the environment are a major concern surrounding the rapid industrial development in the Athabasca oil sands region (AOSR). Although concentrations of polycyclic aromatic hydrocarbons (PAHs) in some environmental samples have been reported, a comprehensive picture of organic contaminant sources, pathways, and sinks within the AOSR has yet to be elucidated. We sought to use a dynamic multimedia environmental fate model to reconcile the emissions and residue levels reported for three representative PAHs in the AOSR. Data describing emissions to air compiled from two official sources result in simulated concentrations in air, soil, water, and foliage that tend to fall close to or below the minimum measured concentrations of phenanthrene, pyrene, and benzo(a)pyrene in the environment. Accounting for evaporative emissions (e.g., from tailings pond disposal) provides a more realistic representation of PAH distribution in the AOSR. Such indirect emissions to air were found to be a greater contributor of PAHs to the AOSR atmosphere relative to reported direct emissions to air. The indirect pathway transporting uncontrolled releases of PAHs to aquatic systems via the atmosphere may be as significant a contributor of PAHs to aquatic systems as other supply pathways. Emission density estimates for the three PAHs that account for tailings pond disposal are much closer to estimated global averages than estimates based on the available emissions datasets, which fall close to the global minima. Our results highlight the need for improved accounting of PAH emissions from oil sands operations, especially in light of continued expansion of these operations.

Fate of chemical warfare agents and toxic industrial chemicals in landfills.

PubMed

Bartelt-Hunt, Shannon L; Barlaz, Morton A; Knappe, Detlef R U; Kjeldsen, Peter

2006-07-01

One component of preparedness for a chemical attack is planning for the disposal of contaminated debris. To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs) in MSW landfills was predicted with a mathematical model. Five blister agents [sulfur mustard (HD), nitrogen mustard (HN-2), lewisite (L), ethyldichloroarsine (ED), and phosgene oxime (CX)], eight nerve agents [tabun (GA), sarin (GB), soman (GD), GE, GF, VX, VG, and VM], one riot-control agent [CS], and two TICs [furan and carbon disulfide] were studied. The effects of both infiltration (climate) and contaminant biodegradability on fate predictions were assessed. Model results showed that hydrolysis and gas-phase advection were the principal fate pathways for CWAs and TICs, respectively. Apart from CX and the TICs, none of the investigated compounds was predicted to persist in a landfill for more than 5 years. Climate had little impact on CWA/TIC fate, and biodegradability was only important for compounds with long hydrolysis half-lives. Monte Carlo simulations were performed to assess the influence of uncertainty in model input parameters on CWA/TIC fate predictions. Correlation analyses showed that uncertainty in hydrolysis rate constants was the primary contributor to variance of CWA fate predictions, while uncertainty in the Henry's Law constant and landfill gas-production rate accounted for most of the variance of TIC fate predictions. CWA hydrolysates were more persistent than the parent CWAs, but limited information is available on abiotic or biotic transformation rates for these chemicals.

Emissions and fate of brominated flame retardants in the indoor environment: a critical review of modelling approaches.

PubMed

Liagkouridis, Ioannis; Cousins, Ian T; Cousins, Anna Palm

2014-09-01

This review explores the existing understanding and the available approaches to estimating the emissions and fate of semi-volatile organic compounds (SVOCs) and in particular focuses on the brominated flame retardants (BFRs). Volatilisation, an important emission mechanism for the more volatile compounds can be well described using current emission models. More research is needed, however, to better characterise alternative release mechanisms such as direct material-particle partitioning and material abrasion. These two particle-mediated emissions are likely to result in an increased chemical release from the source than can be accounted for by volatilisation, especially for low volatile compounds, and emission models need to be updated in order to account for these. Air-surface partitioning is an important fate process for SVOCs such as BFRs however it is still not well characterised indoors. In addition, the assumption of an instantaneous air-particle equilibrium adopted by current indoor fate models might not be valid for high-molecular weight, strongly sorbing compounds. A better description of indoor particle dynamics is required to assess the effect of particle-associated transport as this will control the fate of low volatile BFRs. We suggest further research steps that will improve modelling precision and increase our understanding of the factors that govern the indoor fate of a wide range of SVOCs. It is also considered that the appropriateness of the selected model for a given study relies on the individual characteristics of the study environment and scope of the study. Copyright © 2014 Elsevier B.V. All rights reserved.

An uncertainty and sensitivity analysis applied to the prioritisation of pharmaceuticals as surface water contaminants from wastewater treatment plant direct emissions.

PubMed

Morais, Sérgio Alberto; Delerue-Matos, Cristina; Gabarrell, Xavier

2014-08-15

In this study, the concentration probability distributions of 82 pharmaceutical compounds detected in the effluents of 179 European wastewater treatment plants were computed and inserted into a multimedia fate model. The comparative ecotoxicological impact of the direct emission of these compounds from wastewater treatment plants on freshwater ecosystems, based on a potentially affected fraction (PAF) of species approach, was assessed to rank compounds based on priority. As many pharmaceuticals are acids or bases, the multimedia fate model accounts for regressions to estimate pH-dependent fate parameters. An uncertainty analysis was performed by means of Monte Carlo analysis, which included the uncertainty of fate and ecotoxicity model input variables, as well as the spatial variability of landscape characteristics on the European continental scale. Several pharmaceutical compounds were identified as being of greatest concern, including 7 analgesics/anti-inflammatories, 3 β-blockers, 3 psychiatric drugs, and 1 each of 6 other therapeutic classes. The fate and impact modelling relied extensively on estimated data, given that most of these compounds have little or no experimental fate or ecotoxicity data available, as well as a limited reported occurrence in effluents. The contribution of estimated model input variables to the variance of freshwater ecotoxicity impact, as well as the lack of experimental abiotic degradation data for most compounds, helped in establishing priorities for further testing. Generally, the effluent concentration and the ecotoxicity effect factor were the model input variables with the most significant effect on the uncertainty of output results. Copyright © 2014. Published by Elsevier B.V.

A Workflow to Model Microbial Loadings in Watersheds ...

EPA Pesticide Factsheets

Many watershed models simulate overland and instream microbial fate and transport, but few actually provide loading rates on land surfaces and point sources to the water body network. This paper describes the underlying general equations for microbial loading rates associated with 1) land-applied manure on undeveloped areas from domestic animals; 2) direct shedding on undeveloped lands by domestic animals and wildlife; 3) urban or engineered areas; and 4) point sources that directly discharge to streams from septic systems and shedding by domestic animals. A microbial source module, which houses these formulations, is linked within a workflow containing eight models and a set of databases that form a loosely configured modeling infrastructure which supports watershed-scale microbial source-to-receptor modeling by focusing on animal-impacted catchments. A hypothetical example application – accessing, retrieving, and using real-world data – demonstrates the ability of the infrastructure to automate many of the manual steps associated with a standard watershed assessment, culminating with calibrated flow and microbial densities at the pour point of a watershed. In the Proceedings of the International Environmental Modelling and Software Society (iEMSs), 8th International Congress on Environmental Modelling and Software, Toulouse, France

Contaminant Attenuation and Transport Characterization of 200-UP-1 Operable Unit Sediment Samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Brady D.; Szecsody, James E.; Qafoku, Nikolla

Contaminants disposed of at the land surface migrate through the vadose zone, forming plumes in groundwater. Processes that occur in the groundwater can attenuate contaminant concentrations during transport through the aquifer. For this reason, quantifying contaminant attenuation and contaminant transport processes in the aquifer, in support of the conceptual site model (CSM) and fate and transport modeling, are important for assessing the need for, and type of, remediation in the groundwater, including monitored natural attenuation (MNA). The framework to characterize attenuation and transport processes provided in U.S. Environmental Protection Agency (EPA) guidance documents was used to guide the laboratory effortmore » reported herein.« less

Hydroxylated Polychlorinated Biphenyls in the Environment: Sources, Fate, and Toxicities

PubMed Central

Tehrani, Rouzbeh; Van Aken, Benoit

2013-01-01

Hydroxylated polychlorinated biphenyls (OH-PCBs) are produced in the environment by the oxidation of PCBs through a variety of mechanisms, including metabolic transformation in living organisms and abiotic reactions with hydroxyl radicals. As a consequence, OH-PCBs have been detected in a wide range of environmental samples, including animal tissues, water, and sediments. OH-PCBs have recently raised serious environmental concerns because they exert a variety of toxic effects at lower doses than the parent PCBs and they are disruptors of the endocrine system. Although evidence has accumulated about the widespread dispersion of OH-PCBs in various compartments of the ecosystem, little is currently known about their biodegradation and behavior in the environment. OH-PCBs are today increasingly considered as a new class of environmental contaminants that possess specific chemical, physical, and biological properties not shared with the parent PCBs. This article reviews recent findings regarding the sources, fate, and toxicities of OH-PCBs in the environment. PMID:23636595

Analysis of CL-20 in environmental matrices: water and soil.

PubMed

Larson, Steven L; Felt, Deborah R; Davis, Jeffrey L; Escalon, Lynn

2002-04-01

Analytical techniques for the detection of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo(5.5.0.05,9.03,11)dodecane (CL-20) in water and soil are developed by adapting methods traditionally used for the analysis of nitroaromatics. CL-20 (a new explosives compound) is thermally labile, exhibits high polarity, and has low solubility in water. These constraints make the use of specialized sample handling, preparation, extraction, and analysis necessary. The ability to determine the concentrations of this new explosive compound in environmental matrices is helpful in understanding the environmental fate and effects of CL-20; understanding the physical, chemical, and biological fate of CL-20; and can be used in developing remediation technologies and determining their efficiency. The toxicity and mobility of new explosives in soil and groundwater are also of interest, and analytical techniques for quantitating CL-20 and its degradation products in soil and natural waters make these investigations possible.

A mercury transport and fate model (LM2-mercury) for mass budget assessment of mercury cycling in Lake Michigan

EPA Science Inventory

LM2-Mercury, a mercury mass balance model, was developed to simulate and evaluate the transport, fate, and biogeochemical transformations of mercury in Lake Michigan. The model simulates total suspended solids (TSS), disolved organic carbon (DOC), and total, elemental, divalent, ...

The Impacts of Different Meteorology Data Sets on Nitrogen Fate and Transport in the SWAT Watershed Model

EPA Science Inventory

In this study, we investigated how different meteorology data sets impacts nitrogen fate and transport responses in the Soil and Water Assessment Tool (SWAT) model. We used two meteorology data sets: National Climatic Data Center (observed) and Mesoscale Model 5/Weather Research ...

The linear interplay of intrinsic and extrinsic noises ensures a high accuracy of cell fate selection in budding yeast

PubMed Central

Li, Yongkai; Yi, Ming; Zou, Xiufen

2014-01-01

To gain insights into the mechanisms of cell fate decision in a noisy environment, the effects of intrinsic and extrinsic noises on cell fate are explored at the single cell level. Specifically, we theoretically define the impulse of Cln1/2 as an indication of cell fates. The strong dependence between the impulse of Cln1/2 and cell fates is exhibited. Based on the simulation results, we illustrate that increasing intrinsic fluctuations causes the parallel shift of the separation ratio of Whi5P but that increasing extrinsic fluctuations leads to the mixture of different cell fates. Our quantitative study also suggests that the strengths of intrinsic and extrinsic noises around an approximate linear model can ensure a high accuracy of cell fate selection. Furthermore, this study demonstrates that the selection of cell fates is an entropy-decreasing process. In addition, we reveal that cell fates are significantly correlated with the range of entropy decreases. PMID:25042292

ISSUES IN SIMULATING ELEMENTAL MERCURY AIR/WATER EXCHANGE AND AQUEOUS MONOMETHYLMERCURY SPECIATION

EPA Science Inventory

This presentation focuses on two areas relevant to assessing the global fate and bioavailability of mercury: elemental mercury air/water exchange and aqueous environmental monomethylmercury speciation.

BIOSURFACES: A NONSCALE OVERVIEW

EPA Science Inventory

Biosurfaces: A Nanoscale Overview.
Environmental surfaces (mineral, organic, biological, and composite) determine the physicochemical and biological properties of soils and control the chemical reactivity, fate, transport and transformation of nutrients and chemical contaminan...

Chloride ion transport and fate in oilfield wastewater reuse by interval dynamic multimedia aquivalence model.

PubMed

Hu, Y; Zhang, C; Wang, D Z; Wen, J Y; Chen, M H; Li, Y

2013-01-01

A surface flow constructed wetland was built up to dispose of oilfield wastewater with a high level of inorganic salt ions. Chlorine ion (Cl(-)) was selected as an indicator of soil secondary salinization, and an interval dynamic multimedia aquivalence (IDMA) model was developed to investigate the dynamic multimedia environmental (air, water, soil, flora, and groundwater) effects of Cl(-) in the wastewater irrigation process between 2002 and 2020. The modeled Cl(-) concentrations were in good agreement with the measured ones, as indicated by the interval average logarithmic residual errors (IALREs) being generally lower than 0.5 logarithmic units. The model results showed that the temporal trends of Cl(-) concentrations in the multimedia environments represented a relatively steady state. More than 97.00% of the mass exchange was finished between soil and groundwater compartments, and Cl(-) finally outputted the environmental system by the pathways of advection outflows in the water (71.03%) and groundwater (24.02%). Soil (59.17%) was the dominant sink of Cl(-). It was revealed that the high level of Cl(-) in oilfield wastewater was well treated by the constructed wetland, and there was not a significant environmental effect of soil secondary salinization in the oilfield wastewater reused for the constructed wetland irrigation.

Impact of Polymer Colonization on the Fate of Organic Contaminants in Sediment.

PubMed

Wu, Chen-Chou; Bao, Lian-Jun; Liu, Liang-Ying; Shi, Lei; Tao, Shu; Zeng, Eddy Y

2017-09-19

Plastic pellets and microbes are important constitutes in sediment, but the significance of microbes colonizing on plastic pellets to the environmental fate and transport of organic contaminants has not been adequately recognized and assessed. To address this issue, low-density polyethylene (LDPE), polyoxymethylene (POM) and polypropylene (PP) slices were preloaded with dichlorodiphenyltrichloroethanes (DDTs), polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) and incubated in abiotic and biotic sediment microcosms. Images from scanning electron microscope, Lysogeny Broth agar plates and confocal laser scanning microscope indicated that all polymer slices incubated in biotic sediments were colonized by microorganisms, particularly the LDPE slices. The occurrence of biofilms induced higher dissipation rates of DDTs and PAHs from the LDPE slice surfaces incubated in the biotic sediments than in the abiotic sediments. Plastic colonization on LDPE slice surfaces enhanced the biotransformation of DDT and some PAHs in both marine and river sediments, but had little impact on PCBs. By comparison, PP and POM with unique properties were shown to exert different impacts on the physical and microbial activities as compared to LDPE. These results clearly demonstrated that the significance of polymer surface affiliated microbes to the environmental fate and behavior of organic contaminants should be recognized.

Characterization of the environmental fate of Bacillus thuringiensis var. kaurstaki (Btk) after pest eradication efforts in Seattle, WA and Fairfax county, VA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ticknor, Lawrence; Van Cuyk, Sheila M; Deshpande, Alina

Understanding the fate of biological agents in the environment will be critical to recovery and restoration efforts after a biological attack. Los Alamos National Laboratory (LANL) is conducting experiments in the Seattle, WA and Fairfax County, VA areas to study agent fate in urban environments. As part of their gypsy moth suppression efforts, Washington State and Fairfax County have sprayed Bacillus thuringiensis var. kurstaki (Btk), a common organic pesticide for decades. Many of the spray zones have been in or near urban areas. LANL has collected surface and bulk samples from historical Seattle spray zones to characterize how long Btkmore » persists at detectable levels in the environment, and how long it remains viable in different environmental matrices. This work will attempt to address three questions. First, how long does the agent remain viable at detectable levels? Second, what is the approximate magnitude and duration of resuspension? And third, does the agent transport into buildings? Data designed to address the first question will be presented. Preliminary results indicate Btk remains viable in the environment for at least two years.« less

Quantitative Survey and Structural Classification of Hydraulic Fracturing Chemicals Reported in Unconventional Gas Production.

PubMed

Elsner, Martin; Hoelzer, Kathrin

2016-04-05

Much interest is directed at the chemical structure of hydraulic fracturing (HF) additives in unconventional gas exploitation. To bridge the gap between existing alphabetical disclosures by function/CAS number and emerging scientific contributions on fate and toxicity, we review the structural properties which motivate HF applications, and which determine environmental fate and toxicity. Our quantitative overview relied on voluntary U.S. disclosures evaluated from the FracFocus registry by different sources and on a House of Representatives ("Waxman") list. Out of over 1000 reported substances, classification by chemistry yielded succinct subsets able to illustrate the rationale of their use, and physicochemical properties relevant for environmental fate, toxicity and chemical analysis. While many substances were nontoxic, frequent disclosures also included notorious groundwater contaminants like petroleum hydrocarbons (solvents), precursors of endocrine disruptors like nonylphenols (nonemulsifiers), toxic propargyl alcohol (corrosion inhibitor), tetramethylammonium (clay stabilizer), biocides or strong oxidants. Application of highly oxidizing chemicals, together with occasional disclosures of putative delayed acids and complexing agents (i.e., compounds designed to react in the subsurface) suggests that relevant transformation products may be formed. To adequately investigate such reactions, available information is not sufficient, but instead a full disclosure of HF additives is necessary.

DEVELOPMENT, CALIBRATION AND APPLICATION OF A CONTAINMENT TRANSPORT AND FATE MASS BALANCE MODEL IN LAKE MICHIGAN, LM2

EPA Science Inventory

The Lake Michigan Mass Balance Project (LMMBP) was initiated to support the development of a Lake Wide Management Plan (LaMP) for Lake Michigan. As one of the models in the LMMBP modeling framework, the Level 2 Lake Michigan containment transport and fate (LM2) model has been dev...

Environmental risk assessment of alkylphenols from offshore produced water on fish reproduction.

PubMed

Beyer, Jonny; Myhre, Lars Petter; Sundt, Rolf C; Meier, Sonnich; Tollefsen, Knut-Erik; Vabø, Rune; Klungsøyr, Jarle; Sanni, Steinar

2012-04-01

Concern has been raised over whether environmental release of alkylphenols (AP) in produced water (PW) discharges from the offshore oil industry could impose a risk to the reproduction of fish stocks in the North Sea. An environmental risk assessment (ERA) was performed to determine if environmental exposure to PW APs in North Sea fish populations is likely to be high enough to give effects on reproduction endpoints. The DREAM (Dose related Risk and Effect Assessment Model) software was used in the study and the inputs to the ERA model included PW discharge data, fate information of PW plumes, fish distribution information, as well as uptake and elimination information of PW APs. Toxicodynamic data from effect studies with Atlantic cod (Gadus morhua) exposed to APs were used to establish a conservative environmental risk threshold value for AP concentration in seawater. By using the DREAM software to 1) identify the areas of highest potential risk and 2) integrate fish movement and uptake/elimination rates of APs for the chosen areas we found that the environmental exposure of fish to APs from PW is most likely too low to affect reproduction in wild populations of fish in the North Sea. The implications related to risk management of offshore PW and uncertainties in the risk assessment performed are discussed. Copyright © 2011 Elsevier Ltd. All rights reserved.

In search of greener pastures: Using satellite images to predict the effects of environmental change on zebra migration

NASA Astrophysics Data System (ADS)

Bartlam-Brooks, Hattie L. A.; Beck, Pieter S. A.; Bohrer, Gil; Harris, Stephen

2013-12-01

ungulate migrations occurred in most grassland and boreal woodland ecosystems, but many have been lost due to increasing habitat loss and fragmentation. With the rate of environmental change increasing, identifying and prioritizing migration routes for conservation has taken on a new urgency. Understanding the cues that drive long-distance animal movements is critical to predicting the fate of migrations under different environmental change scenarios and how large migratory herbivores will respond to increasing resource heterogeneity and anthropogenic influences. We used an individual-based modeling approach to investigate the influence of environmental conditions, monitored using satellite data, on departure date and movement speed of migrating zebras in Botswana. Daily zebra movements between dry and rainy season ranges were annotated with coincident observations of precipitation from the Tropical Rainfall Measuring Mission data set and Moderate Resolution Imaging Spectroradiometer-derived normalized difference vegetation index (NDVI). An array of increasingly complex movement models representing alternative hypotheses regarding the environmental cues and controls for movement was parameterized and tested. The best and most justified model predicted daily zebra movement as two linear functions of precipitation rate and NDVI and included a modeled departure date as a function of cumulative precipitation. The model was highly successful at replicating both the timing and pace of seven actual migrations observed using GPS telemetry (R2 = 0.914). It shows how zebras rapidly adjust their movement to changing environmental conditions during migration and are able to reverse migration to avoid adverse conditions or exploit renewed resource availability, a nomadic behavior which should lend them a degree of resilience to climate and environmental change. Our results demonstrate how competing individual-based migration models, informed by freely available satellite data, can be used to evaluate the weight of evidence for multiple hypotheses regarding the use of environmental cues in animal movement. This modeling framework can be applied to quantify how animals adapt the timing and pace of their movements to prevailing environmental conditions and to forecast migrations in near real time or under alternative environmental scenarios.

40 CFR 161.108 - Relationship of Pesticide Assessment Guidelines to data requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Environmental Fate PB83-153973 161.290 O Residue Chemistry PB83-153961 161.240 R Spray Drift Evaluation PB84... Guidelines to data requirements. 161.108 Section 161.108 Protection of Environment ENVIRONMENTAL PROTECTION...: Subdivision Title NTIS order no. Corresponding section(s) in this part D Product Chemistry PB83-153890 161.150...

Detection and Quantification of Silver Nanoparticles at Environmentally Relevant Concentrations Using Asymmetric Flow Field–Flow Fractionation Online with Single Particle Inductively Coupled Plasma Mass Spectrometry

EPA Science Inventory

The presence of silver nanoparticles (AgNPs) in aquatic environments could potentially cause adverse impacts on ecosystems and human health. However, current understanding of the environmental fate and transport of AgNPs is still limited because their properties in complex enviro...

Modeled and monitored variation in space and time of PCB-153 concentrations in air, sediment, soil and aquatic biota on a European scale.

PubMed

Hauck, Mara; Huijbregts, Mark A J; Hollander, Anne; Hendriks, A Jan; van de Meent, Dik

2010-08-15

We evaluated various modeling options for estimating concentrations of PCB-153 in the environment and in biota across Europe, using a nested multimedia fate model coupled with a bioaccumulation model. The most detailed model set up estimates concentrations in air, soil, fresh water sediment and fresh water biota with spatially explicit environmental characteristics and spatially explicit emissions to air and water in the period 1930-2005. Model performance was evaluated with the root mean square error (RMSE(log)), based on the difference between estimated and measured concentrations. The RMSE(log) was 5.4 for air, 5.6-6.3 for sediment and biota, and 5.5 for soil in the most detailed model scenario. Generally, model estimations tended to underestimate observed values for all compartments, except air. The decline in observed concentrations was also slightly underestimated by the model for the period where measurements were available (1989-2002). Applying a generic model setup with averaged emissions and averaged environmental characteristics, the RMSE(log) increased to 21 for air and 49 for sediment. For soil the RMSE(log) decreased to 3.5. We found that including spatial variation in emissions was most relevant for all compartments, except soil, while including spatial variation in environmental characteristics was less influential. For improving predictions of concentrations in sediment and aquatic biota, including emissions to water was found to be relevant as well. Copyright 2009 Elsevier B.V. All rights reserved.

WATERSHED AND INSTREAM MODELING OF SEDIMENT FATE AND TRANSPORT

EPA Science Inventory

To effectively manage watersheds, the assessment of watershed ecological response to physicochemical stressors such as sediments over broad spatial and temporal scales is needed. Assessments at this level of complexity requires the development of sediment transport and fate model...

PREDICTIVE MODELING OF LIGHT-INDUCED MORTALITY OF ENTEROCOCCI FAECALIS IN RECREATIONAL WATERS

EPA Science Inventory

One approach to predictive modeling of biological contamination of recreational waters involves the application of process-based approaches that consider microbial sources, hydrodynamic transport, and microbial fate. This presentation focuses on one important fate process, light-...

Pesticides in the Lake Kinneret basin: a combined approach towards mircopollutant management

NASA Astrophysics Data System (ADS)

Gaßmann, M.; Friedler, E.; Dubwoski, Y.; Dinerman, E.; Olsson, O.; Bauer, M.

2009-04-01

Lake Kinneret is the only large surface waterbody in Israel, supplying about 27% of the country's freshwater. Water quality in Lake Kinneret is of major concern and improving the ecological status of this large water body is now a national priority. While many studies in the past focused on nutrients inflows and phytoplankton dynamics, less research has been done on assessing the fate and pathways of micropollutants at semi-arid environments in common and Lake Kinneret in particular. Since the watershed area of Lake Kinneret is used primarily for agriculture, it is important to evaluate the fate and dynamic transfer of organic micropollutants such as pesticides and herbicides in the watershed streams and in the lake itself. This study introduces a combined concept of extensive measurements and modelling tools to observe and simulate the pesticide release chain (i) application - (ii) diffuse release to rivers - (iii) transport in the river - (iv) accumulation in the lake. The available information regarding identification of application zones (i) and the amounts of used pesticides is based on stakeholders interviews, a survey of the different crop types and orchards and a comparison to sold amounts of the target pesticides (Melman and Bar-Ilan 2008). In the current research, a single field mass balance of pesticides is carried out to determine the field release to rivers (ii) by an extensive measurement campaign on the different compartments (soil, vegetation, atmosphere) and phases (water, air, solids) of a single field. The mass balance results in a release pattern of pesticide, which will be overtaken into the modelling approach. Transport of pesticides in rivers (iii) is modelled on the base of a recently developed stream network model for ephemeral streams (MOHID River), introducing important instream fate processes of pesticides and supported by six instream measurement stations of hydrological as well as pesticide data in the basin. To determine the final concentration of the pesticides in Lake Kinneret (iv) and therefore the drinking water reservoir, a lake model is fed by the stream network model outputs. However, the most difficult part of the current risk management approach of water resources in the upper Jordan River basin is to produce reliable field data on the environmental fate of pesticides and to evaluate their impact on the local water supply. The introduced combined approach aims at providing useful information and arguments for the decision making process and supporting water managers in revision of management strategies and planning of new infrastructure projects.

High Throughput Biodegradation-Screening Test To Prioritize and Evaluate Chemical Biodegradability.

PubMed

Martin, Timothy J; Goodhead, Andrew K; Acharya, Kishor; Head, Ian M; Snape, Jason R; Davenport, Russell J

2017-06-20

Comprehensive assessment of environmental biodegradability of pollutants is limited by the use of low throughput systems. These are epitomized by the Organisation for Economic Cooperation and Development (OECD) Ready Biodegradability Tests (RBTs), where one sample from an environment may be used to assess a chemical's ability to readily biodegrade or persist universally in that environment. This neglects the considerable spatial and temporal microbial variation inherent in any environment. Inaccurate designations of biodegradability or persistence can occur as a result. RBTs are central in assessing the biodegradation fate of chemicals and inferring exposure concentrations in environmental risk assessments. We developed a colorimetric assay for the reliable quantification of suitable aromatic compounds in a high throughput biodegradation screening test (HT-BST). The HT-BST accurately differentiated and prioritized a range of structurally diverse aromatic compounds on the basis of their assigned relative biodegradabilities and quantitative structure-activity relationship (QSAR) model outputs. Approximately 20 000 individual biodegradation tests were performed, returning analogous results to conventional RBTs. The effect of substituent group structure and position on biodegradation potential demonstrated a significant correlation (P < 0.05) with Hammett's constant for substituents on position 3 of the phenol ring. The HT-BST may facilitate the rapid screening of 100 000 chemicals reportedly manufactured in Europe and reduce the need for higher-tier fate and effects tests.

Bacteria contribute to pesticide degradation in cryoconite holes in an Alpine glacier.

PubMed

Ferrario, Claudia; Pittino, Francesca; Tagliaferri, Ilario; Gandolfi, Isabella; Bestetti, Giuseppina; Azzoni, Roberto Sergio; Diolaiuti, Guglielmina; Franzetti, Andrea; Ambrosini, Roberto; Villa, Sara

2017-11-01

Organic contaminants deposited on glacier snow and ice are subject to partitioning and degradation processes that determine their environmental fate and, consequently, their accumulation in ice bodies. Among these processes, organic compound degradation by supraglacial bacteria has been investigated to a lesser extent than photo- and chemical degradation. We investigated biodegradation of the organophosphorus insecticide chlorpyrifos (CPF), a xenobiotic tracer that accumulates on glaciers after atmospheric medium- and long-range transport, by installing in situ microcosms on an Alpine glacier to simulate cryoconite hole systems. We found that biodegradation contributed to the removal of CPF from the glacier surface more than photo- and chemical degradation. The high concentration of CPF (2-3 μg g -1 w.w.) detected in cryoconite holes and the estimated half-life of this compound (35-69 days in glacier environment) indicated that biodegradation can significantly reduce CPF concentrations on glaciers and its runoff to downstream ecosystems. The metabolic versatility of cryoconite bacteria suggests that these habitats might contribute to the degradation of a wide class of pollutants. We therefore propose that cryoconite acts as a "biofilter" by accumulating both pollutants and biodegradative microbial communities. The contribution of cryoconite to the removal of organic pollutants should be included in models predicting the environmental fate of these compounds in cold areas. Copyright © 2017 Elsevier Ltd. All rights reserved.

Assessing the environmental fate of selected polybrominated diphenyl ethers in the region surrounding the Zhuoshui River of Taiwan based on an Equilibrium Constant fugacity model

NASA Astrophysics Data System (ADS)

O'Driscoll, Kieran; Doherty, Rory; Robinson, Jill; Chiang, Wen-Son; Kao Kao, Ruey-Chy

2015-04-01

Polybrominated diphenyl ethers (PBDEs) are a group of flame retardants that have been in use since the 1970s. They are included in the list of hazardous substances known as persistent organic pollutants (POPs) because they are extremely hazardous to the environment and human health. PBDEs have been extensively used in industry and manufacturing in Taiwan, thus its citizens are at high risk of exposure to these chemicals. An assessment of the environmental fate of these compounds in the Zhuoshui river and Changhua County regions of western Taiwan, and also including the adjacent area of the Taiwan Strait, was conducted for three high risk congeners, BDE-47, -99 and -209, to obtain information regarding the partitioning, advection, transfer and long range transport potential of the PBDEs in order to identify the level of risk posed by the pollutants in this region. The results indicate that large amounts of PBDEs presently reside in all model compartments - air, soil, water, and sediment - with particularly high levels found in air and especially in sediment. The high levels found in sediment, particularly for BDE-209, are significant, since there is the threat of these pollutants entering the food chain, either directly through benthic feeding, or through resuspension and subsequent feeding in the pelagic region of the water column which is a distinct possibility in the strong currents found within the Taiwan Strait. Another important result is that a substantial portion of emissions leave the model domain directly through advection, particularly for BDE-47 (58%) and BDE-209 (75%), thus posing a risk to adjacent communities. Model results were generally in reasonable agreement with available measured concentrations. In air, model concentrations are in reasonably good agreement with available measured values. For both BDE-47 and -99, model concentrations are a factor of 2-3 higher and BDE-209 within the range of measured values. In soil, model results are somewhat less than measured values. In sediment, model results are at the high end of measured values.

Characterization and Fate of Gun and Rocket Propellant Residues on Testing and Training Ranges

DTIC Science & Technology

2008-01-01

ext/reg_e.html. 36. United States Environmental Protection Agency (2007) Integrated Risk Information System: Hydrogen cyanide, http://www.epa.gov/ iris ...Environmental Protection Agency (2007) Integrated Risk Information System: Benzene, http://www.epa.gov/ iris /subst/0276.htm 42. United States Environmental...Protection Agency (2007) Integrated Risk Information System: Toluene, http://www.epa.gov/ iris /subst/0118.htm. 43. National Library of Medicine’s TOXNET

Investigating the Transport and Fate of Polychlorinated Biphenyls with Stable Chlorine Isotopes

DTIC Science & Technology

2001-09-30

recently accepted in the journal Organic Geochemistry. We published another manuscript in Environmental Science and Pollution Research on the...Chlorine in the Environment a book written by Ruth Stringer and Paul Johnson. This review will soon appear in the journal Environmental Science and...Heraty, L.J., Holt, B.D., Sturchio, N.C., Eglinton, T.I., Drenzek, N.J., Xu, L., Lake, J.L., Maruya, K.A., 2000. Environmental Science and

Models, Measurements, and Local Decisions: Assessing and ...

EPA Pesticide Factsheets

This presentation includes a combination of modeling and measurement results to characterize near-source air quality in Newark, New Jersey with consideration of how this information could be used to inform decision making to reduce risk of health impacts. Decisions could include either exposure or emissions reduction, and a host of stakeholders, including residents, academics, NGOs, local and federal agencies. This presentation includes results from the C-PORT modeling system, and from a citizen science project from the local area. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

WRF/CMAQ AQMEII3 Simulations of US Regional-Scale ...

EPA Pesticide Factsheets

Chemical boundary conditions are a key input to regional-scale photochemical models. In this study, performed during the third phase of the Air Quality Model Evaluation International Initiative (AQMEII3), we perform annual simulations over North America with chemical boundary conditions prepared from four different global models. Results indicate that the impacts of different boundary conditions are significant for ozone throughout the year and most pronounced outside the summer season. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

Data worth and prediction uncertainty for pesticide transport and fate models in Nebraska and Maryland, United States

USDA-ARS?s Scientific Manuscript database

Few studies have attempted to quantify mass balances of both pesticides and degradates in multiple agricultural settings of the United States. We used inverse modeling to calibrate the Root Zone Water Quality Model (RZWQM) for predicting the unsaturated-zone transport and fate of metolachlor, metola...

Fate of Trace Metals in Anaerobic Digestion.

PubMed

Fermoso, F G; van Hullebusch, E D; Guibaud, G; Collins, G; Svensson, B H; Carliell-Marquet, C; Vink, J P M; Esposito, G; Frunzo, L

2015-01-01

A challenging, and largely uncharted, area of research in the field of anaerobic digestion science and technology is in understanding the roles of trace metals in enabling biogas production. This is a major knowledge gap and a multifaceted problem involving metal chemistry; physical interactions of metal and solids; microbiology; and technology optimization. Moreover, the fate of trace metals, and the chemical speciation and transport of trace metals in environments--often agricultural lands receiving discharge waters from anaerobic digestion processes--simultaneously represents challenges for environmental protection and opportunities to close process loops in anaerobic digestion.

VIRTUS: A MODEL OF VIRUS TRANSPORT IN UNSATURATED SOILS

EPA Science Inventory

As a result of the recently proposed mandatory groundwater disinfection requirements to inactivate viruses in potable water supplies, there has been increasing interest in virus fate and transport in the subsurface. Several models have been developed to predict the fate of viruse...

AEROBIC DENITRIFICATION: IMPLICATIONS FOR NITROGEN FATE MODELING

EPA Science Inventory

In the Mississippi, as well as most nitrogen-degraded rivers and streams, NO3- is the dominant N species and therefore understanding its biogeochemical behavior is critical for accurate nitrogen fate modeling. To our knowledge this is the first work to report aerobic denitrificat...

MODELING PROCESSES CONTROLLING MERCURY FATE IN WATERSHEDS RECEIVING ATMOSPHERIC DEPOSITION - COMPARISON OF FIELD SCALE GLEAMS AND WATERSHED SCALE WCS-GBMM

EPA Science Inventory

Long-term simulations of mercury fate in watersheds are needed to support regulations such as TMDLs and to predict the effectiveness of regulatory proposals, such as the Clean Air Mercury Rule (CAMR). Scientific uncertainties in mercury fate process descriptions combined with in...

Simulating the fate of fall- and spring-applied poultry litter nitrogen in corn production

USDA-ARS?s Scientific Manuscript database

Monitoring the fate of N derived from manures applied to fertilize crops is difficult, time consuming, and relatively expensive. But computer simulation models can help understand the interactions among various N processes in the soil-plant system and determine the fate of applied N. The RZWQM2 was ...

Annual Quality Assurance Conference Presentation by Mélanie Kah

EPA Pesticide Factsheets

This is the presentation from Author Melanie Kah on Nanopesticides: State of Knowledge, Environmental Fate and Implications for Exposure Assessment, presented at the annual QA conference in Dallas, Tx in October 2015

A review on the importance of metals and metalloids in atmospheric dust and aerosol from mining operations.

PubMed

Csavina, Janae; Field, Jason; Taylor, Mark P; Gao, Song; Landázuri, Andrea; Betterton, Eric A; Sáez, A Eduardo

2012-09-01

Contaminants can be transported rapidly and over relatively long distances by atmospheric dust and aerosol relative to other media such as water, soil and biota; yet few studies have explicitly evaluated the environmental implications of this pathway, making it a fundamental but understudied transport mechanism. Although there are numerous natural and anthropogenic activities that can increase dust and aerosol emissions and contaminant levels in the environment, mining operations are notable with respect to the quantity of particulates generated, the global extent of area impacted, and the toxicity of contaminants associated with the emissions. Here we review (i) the environmental fate and transport of metals and metalloids in dust and aerosol from mining operations, (ii) current methodologies used to assess contaminant concentrations and particulate emissions, and (iii) the potential health and environmental risks associated with airborne contaminants from mining operations. The review evaluates future research priorities based on the available literature and suggest that there is a particular need to measure and understand the generation, fate and transport of airborne particulates from mining operations, specifically the finer particle fraction. More generally, our findings suggest that mining operations play an important but underappreciated role in the generation of contaminated atmospheric dust and aerosol and the transport of metal and metalloid contaminants, and highlight the need for further research in this area. The role of mining activities in the fate and transport of environmental contaminants may become increasingly important in the coming decades, as climate change and land use are projected to intensify, both of which can substantially increase the potential for dust emissions and transport. Copyright © 2012 Elsevier B.V. All rights reserved.

A Review on the Importance of Metals and Metalloids in Atmospheric Dust and Aerosol from Mining Operations

PubMed Central

Csavina, Janae; Field, Jason; Taylor, Mark P.; Gao, Song; Landázuri, Andrea; Betterton, Eric A.; Sáez, A. Eduardo

2012-01-01

Contaminants can be transported rapidly and over relatively long distances by atmospheric dust and aerosol relative to other media such as water, soil and biota; yet few studies have explicitly evaluated the environmental implications of this pathway, making it a fundamental but understudied transport mechanism. Although there are numerous natural and anthropogenic activities that can increase dust and aerosol emissions and contaminant levels in the environment, mining operations are notable with respect to the quantity of particulates generated, the global extent of area impacted, and the toxicity of contaminants associated with the emissions. Here we review (i) the environmental fate and transport of metals and metalloids in dust and aerosol from mining operations, (ii) current methodologies used to assess contaminant concentrations and particulate emissions, and (iii) the potential health and environmental risks associated with airborne contaminants from mining operations. The review evaluates future research priorities based on the available literature and suggest that there is a particular need to measure and understand the generation, fate and transport of airborne particulates from mining operations, specifically the finer particle fraction. More generally, our findings suggest that mining operations play an important but underappreciated role in the generation of contaminated atmospheric dust and aerosol and the transport of metal and metalloid contaminants, and highlight the need for further research in this area. The role of mining activities in the fate and transport of environmental contaminants may become increasingly important in the coming decades, as climate change and land use are projected to intensify, both of which can substantially increase the potential for dust emissions and transport. PMID:22766428

The sources, fate, and toxicity of chemical warfare agent degradation products.

PubMed Central

Munro, N B; Talmage, S S; Griffin, G D; Waters, L C; Watson, A P; King, J F; Hauschild, V

1999-01-01

We include in this review an assessment of the formation, environmental fate, and mammalian and ecotoxicity of CW agent degradation products relevant to environmental and occupational health. These parent CW agents include several vesicants: sulfur mustards [undistilled sulfur mustard (H), sulfur mustard (HD), and an HD/agent T mixture (HT)]; nitrogen mustards [ethylbis(2-chloroethyl)amine (HN1), methylbis(2-chloroethyl)amine (HN2), tris(2-chloroethyl)amine (HN3)], and Lewisite; four nerve agents (O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX), tabun (GA), sarin (GB), and soman (GD)); and the blood agent cyanogen chloride. The degradation processes considered here include hydrolysis, microbial degradation, oxidation, and photolysis. We also briefly address decontamination but not combustion processes. Because CW agents are generally not considered very persistent, certain degradation products of significant persistence, even those that are not particularly toxic, may indicate previous CW agent presence or that degradation has occurred. Of those products for which there are data on both environmental fate and toxicity, only a few are both environmentally persistent and highly toxic. Major degradation products estimated to be of significant persistence (weeks to years) include thiodiglycol for HD; Lewisite oxide for Lewisite; and ethyl methyl phosphonic acid, methyl phosphonic acid, and possibly S-(2-diisopropylaminoethyl) methylphosphonothioic acid (EA 2192) for VX. Methyl phosphonic acid is also the ultimate hydrolysis product of both GB and GD. The GB product, isopropyl methylphosphonic acid, and a closely related contaminant of GB, diisopropyl methylphosphonate, are also persistent. Of all of these compounds, only Lewisite oxide and EA 2192 possess high mammalian toxicity. Unlike other CW agents, sulfur mustard agents (e.g., HD) are somewhat persistent; therefore, sites or conditions involving potential HD contamination should include an evaluation of both the agent and thiodiglycol. Images Figure 1 Figure 3 Figure 5 PMID:10585900

Dynamic modelling of solids in a full-scale activated sludge plant preceded by CEPT as a preliminary step for micropollutant removal modelling.

PubMed

Baalbaki, Zeina; Torfs, Elena; Maere, Thomas; Yargeau, Viviane; Vanrolleghem, Peter A

2017-04-01

The presence of micropollutants in the environment has triggered research on quantifying and predicting their fate in wastewater treatment plants (WWTPs). Since the removal of micropollutants is highly related to conventional pollutant removal and affected by hydraulics, aeration, biomass composition and solids concentration, the fate of these conventional pollutants and characteristics must be well predicted before tackling models to predict the fate of micropollutants. In light of this, the current paper presents the dynamic modelling of conventional pollutants undergoing activated sludge treatment using a limited set of additional daily composite data besides the routine data collected at a WWTP over one year. Results showed that as a basis for modelling, the removal of micropollutants, the Bürger-Diehl settler model was found to capture the actual effluent total suspended solids (TSS) concentrations more efficiently than the Takács model by explicitly modelling the overflow boundary. Results also demonstrated that particular attention must be given to characterizing incoming TSS to obtain a representative solids balance in the presence of a chemically enhanced primary treatment, which is key to predict the fate of micropollutants.

Environmental concentration and atmospheric deposition of halogenated flame retardants in soil from Nepal: Source apportionment and soil-air partitioning.

PubMed

Yadav, Ishwar Chandra; Devi, Ningombam Linthoingambi; Li, Jun; Zhang, Gan

2018-02-01

While various investigations have been driven on polybrominated diphenyl ethers (PBDEs) and other flame retardants (FRs) in different framework around the world, information about contamination and fate of PBDEs and other FRs in developing countries especially in the Indian subcontinent is uncommon. Nepal being located in the Indian subcontinent, very little is known about contamination level of semi-volatile organic pollutants discharged into the environment. This motivated us to investigate the environmental fate of halogenated flame retardant (HFRs) in Nepalese condition. In this study, we investigated the concentration, fate, and sources of 9 PBDEs, 2 dechlorane plus isomers (DPs), and 6 novel brominated flame retardants (NBFRs). Moreover, air-soil exchange and soil-air partitioning were also evaluated to characterize the pattern of air-soil exchange and environmental fate. In general, the concentrations of NBFRs in soil were more prevalent than PBDEs and DPs, and accounted 95% of ∑HFRs. By and large, the concentrations of NBFRs and DPs were measured high in Kathmandu, while PBDEs level exceeded in Pokhara. Principal component analysis (PCA) study suggested contributions from commercial penta-, octa-, and deca-BDEs products and de-bromination of highly brominated PBDEs as the significant source of PBDEs. Likewise, low f anti ratio suggested DPs in soil might have originated from long-range atmospheric transport from remote areas, while high levels of decabromodiphenyl ethane (DBDPE) in soil were linked with the use of wide varieties of consumer products. The estimated fugacity fraction (ff) for individual HFR was quite lower (<0.05) than equilibrium value, suggesting that deposition and net transport from air to the soil is overwhelming. Soil-air partitioning study revealed neither octanol-air partition coefficient (K OA ) nor black carbon partition coefficient (K BC-A ) is an appropriate surrogate for soil organic matter (SOM), subsequently, absorption by SOM has no or little role in the partitioning of HFRs. Copyright © 2017 Elsevier Ltd. All rights reserved.

Modelling atmospheric transport of α-hexachlorocyclohexane in the Northern Hemispherewith a 3-D dynamical model: DEHM-POP

NASA Astrophysics Data System (ADS)

Hansen, K. M.; Christensen, J. H.; Brandt, J.; Frohn, L. M.; Geels, C.

2004-07-01

The Danish Eulerian Hemispheric Model (DEHM) is a 3-D dynamical atmospheric transport model originally developed to describe the atmospheric transport of sulphur into the Arctic. A new version of the model, DEHM-POP, developed to study the atmospheric transport and environmental fate of persistent organic pollutants (POPs) is presented. During environmental cycling, POPs can be deposited and re-emitted several times before reaching a final destination. A description of the exchange processes between the land/ocean surfaces and the atmosphere is included in the model to account for this multi-hop transport. The α-isomer of the pesticide hexachlorocyclohexane (α-HCH) is used as tracer in the model development. The structure of the model and processes included are described in detail. The results from a model simulation showing the atmospheric transport for the years 1991 to 1998 are presented and evaluated against measurements. The annual averaged atmospheric concentration of α-HCH for the 1990s is well described by the model; however, the shorter-term average concentration for most of the stations is not well captured. This indicates that the present simple surface description needs to be refined to get a better description of the air-surface exchange processes of POPs.

Modelling atmospheric transport of persistent organic pollutants in the Northern Hemisphere with a 3-D dynamical model: DEHM-POP

NASA Astrophysics Data System (ADS)

Hansen, K. M.; Christensen, J. H.; Brandt, J.; Frohn, L. M.; Geels, C.

2004-03-01

The Danish Eulerian Hemispheric Model (DEHM) is a 3-D dynamical atmospheric transport model originally developed to describe the atmospheric transport of sulphur into the Arctic. A new version of the model, DEHM-POP, developed to study the atmospheric transport and environmental fate of persistent organic pollutants (POPs) is presented. During environmental cycling, POPs can be deposited and re-emitted several times before reaching a final destination. A description of the exchange processes between the land/ocean surfaces and the atmosphere is included in the model to account for this multi-hop transport. The α-isomer of the pesticide hexachlorocyclohexane (α-HCH) is used as tracer in the model development. The structure of the model and processes included are described in detail. The results from a model simulation showing the atmospheric transport for the years 1991 to 1998 are presented and evaluated against measurements. The annual averaged atmospheric concentration of α-HCH for the 1990s is well described by the model; however, the shorter-term average concentration for most of the stations is not well captured. This indicates that the present simple surface description needs to be refined to get a better description of the air-surface exchange proceses of POPs.

3DFATMIC: THREE DIMENSIONAL SUBSURFACE FLOW, FATE AND TRANSPORT OF MICROBES AND CHEMICALS MODEL - USER'S MANUAL VERSION 1.0

EPA Science Inventory

This document is the user's manual of 3DFATMIC, a 3-Dimensional Subsurface Flow, Fate and Transport of Microbes and Chemicals Model using a Lagrangian-Eulerian adapted zooming and peak capturing (LEZOOMPC) algorithm.

IBSEM: An Individual-Based Atlantic Salmon Population Model.

PubMed

Castellani, Marco; Heino, Mikko; Gilbey, John; Araki, Hitoshi; Svåsand, Terje; Glover, Kevin A

2015-01-01

Ecology and genetics can influence the fate of individuals and populations in multiple ways. However, to date, few studies consider them when modelling the evolutionary trajectory of populations faced with admixture with non-local populations. For the Atlantic salmon, a model incorporating these elements is urgently needed because many populations are challenged with gene-flow from non-local and domesticated conspecifics. We developed an Individual-Based Salmon Eco-genetic Model (IBSEM) to simulate the demographic and population genetic change of an Atlantic salmon population through its entire life-cycle. Processes such as growth, mortality, and maturation are simulated through stochastic procedures, which take into account environmental variables as well as the genotype of the individuals. IBSEM is based upon detailed empirical data from salmon biology, and parameterized to reproduce the environmental conditions and the characteristics of a wild population inhabiting a Norwegian river. Simulations demonstrated that the model consistently and reliably reproduces the characteristics of the population. Moreover, in absence of farmed escapees, the modelled populations reach an evolutionary equilibrium that is similar to our definition of a 'wild' genotype. We assessed the sensitivity of the model in the face of assumptions made on the fitness differences between farm and wild salmon, and evaluated the role of straying as a buffering mechanism against the intrusion of farm genes into wild populations. These results demonstrate that IBSEM is able to capture the evolutionary forces shaping the life history of wild salmon and is therefore able to model the response of populations under environmental and genetic stressors.

Framework for risk analysis in Multimedia Environmental Systems (FRAMES)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whelan, G.; Buck, J.W.; Castleton, K.J.

The objectives of this workshop are to (1) provide the NRC staff and the public with an overview of currently available Federally-Sponsored dose models appropriate for decommissioning assessments and (2) discuss NRC staff-developed questions related to model selection criteria with the final rule on ``Radiological Criteria for License Termination`` (62 FR 39058). For over 40 years, medium specific models have been and will continue to be developed in an effort to understand and predict environmental phenomena, including fluid-flow patterns, contaminant migration and fate, human or wildlife exposures, impacts from specific toxicants to specific species and their organs, cost-benefit analyses, impactsmore » from remediation alternatives, etc. For nearly 40 years, medium-specific models have been combined for either sequential or concurrent assessments. The evolution of multiple-media assessment tools has followed a logic progression. To allow a suite of users the flexibility and versatility to construct, combine, and couple attributes that meet their specific needs without unnecessarily burdening the user with extraneous capabilities, the development of a computer-based methodology to implement a Risk Analysis in Multimedia Environmental Systems (FRAMES) was begun in 1994. FRAMES represents a platform which links elements together and yet does not represent the models that are linked to or within it; therefore, changes to elements that are linked to or within FRAMES do not change the framework.« less

Revealing chemophoric sites in organophosphorus insecticides through the MIA-QSPR modeling of soil sorption data.

PubMed

Daré, Joyce K; Silva, Cristina F; Freitas, Matheus P

2017-10-01

Soil sorption of insecticides employed in agriculture is an important parameter to probe the environmental fate of organic chemicals. Therefore, methods for the prediction of soil sorption of new agrochemical candidates, as well as for the rationalization of the molecular characteristics responsible for a given sorption profile, are extremely beneficial for the environment. A quantitative structure-property relationship method based on chemical structure images as molecular descriptors provided a reliable model for the soil sorption prediction of 24 widely used organophosphorus insecticides. By means of contour maps obtained from the partial least squares regression coefficients and the variable importance in projection scores, key molecular moieties were targeted for possible structural modification, in order to obtain novel and more environmentally friendly insecticide candidates. The image-based descriptors applied encode molecular arrangement, atoms connectivity, groups size, and polarity; consequently, the findings in this work cannot be achieved by a simple relationship with hydrophobicity, usually described by the octanol-water partition coefficient. Copyright © 2017 Elsevier Inc. All rights reserved.

Risk-Screening Environmental Indicators (RSEI)

EPA Pesticide Factsheets

EPA's Risk-Screening Environmental Indicators (RSEI) is a geographically-based model that helps policy makers and communities explore data on releases of toxic substances from industrial facilities reporting to EPA??s Toxics Release Inventory (TRI). By analyzing TRI information together with simplified risk factors, such as the amount of chemical released, its fate and transport through the environment, each chemical??s relative toxicity, and the number of people potentially exposed, RSEI calculates a numeric score, which is designed to only be compared to other scores calculated by RSEI. Because it is designed as a screening-level model, RSEI uses worst-case assumptions about toxicity and potential exposure where data are lacking, and also uses simplifying assumptions to reduce the complexity of the calculations. A more refined assessment is required before any conclusions about health impacts can be drawn. RSEI is used to establish priorities for further investigation and to look at changes in potential impacts over time. Users can save resources by conducting preliminary analyses with RSEI.

Development of Analytical Methods for Escort Herbicide in Forest Environment Samples

Treesearch

Joseph Fischer; Jerry Michael

1990-01-01

The USDA Forest Service laboratory in Auburn, Alabama, is engaged in research to determine the environmental fate and ecosystem inipadts of forestry herbicides. Much of the effort is associated with the conduct of field dissipation studies in which herbicides are applied to forest sites and then monitored over time in a variety of environmental matrices (soil, water,...

PRZM-2, A MODEL FOR PREDICTING PESTICIDE FATE IN THE CROP ROOT AND UNSATURATED SOIL ZONES: USERS MANUAL FOR RELEASE 2.0

EPA Science Inventory

PRZM-2 links two subordinate models--PRZM and VADOFT--in order to predict pesticide transport and transformation down through the crop root and unsaturated zones. RZM is a one-dimensional, finite difference model that accounts for pesticide fate in the crop root zone. his release...

Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes

NASA Astrophysics Data System (ADS)

Navaz, H. K.; Dang, A. L.; Atkinson, T.; Zand, A.; Nowakowski, A.; Kamensky, K.

2014-05-01

A general-purpose multi-phase and multi-component computer model capable of solving the complex problems encountered in the agent substrate interaction is developed. The model solves the transient and time-accurate mass and momentum governing equations in a three dimensional space. The provisions for considering all the inter-phase activities (solidification, evaporation, condensation, etc.) are included in the model. The chemical reactions among all phases are allowed and the products of the existing chemical reactions in all three phases are possible. The impact of chemical reaction products on the transport properties in porous media such as porosity, capillary pressure, and permeability is considered. Numerous validations for simulants, agents, and pesticides with laboratory and open air data are presented. Results for chemical reactions in the presence of pre-existing water in porous materials such as moisture, or separated agent and water droplets on porous substrates are presented. The model will greatly enhance the capabilities in predicting the level of threat after any chemical such as Toxic Industrial Chemicals (TICs) and Toxic Industrial Materials (TIMs) release on environmental substrates. The model's generality makes it suitable for both defense and pharmaceutical applications.

Testing Consent Order for Octamethylcyclotetrasiloxane

EPA Pesticide Factsheets

This rule announces that EPA has signed an enforceable testing consent order with six manufacturers of octamethylcyclotetrasiloxane (OMCTS; CAS No. 556-67—2, who have agreed to perform certain chemical fate and environmental effects tests with OMCTS.

Toxic Substances; Biphenyl; Test Rule

EPA Pesticide Factsheets

This rule promulgates EPA’s decision to require manufacturers and processors to test biphenyl (CAS No: 92—52—4) for environmental effects and chemical fate under section 4(a) of the Toxic Substances Control Act (TSCA).

Modeling the impact of biota on polychlorinated biphenyls (PCBs) fate and transport in Lake Ontario using a population-based multi-compartment fugacity approach.

PubMed

Sun, Xiangfei; Ng, Carla A; Small, Mitchell J

2018-06-12

Organisms have long been treated as receptors in exposure studies of polychlorinated biphenyls (PCBs) and other persistent organic pollutants (POPs). The influences of environmental pollution on organisms are well recognized. However, the impact of biota on PCB transport in an environmental system has not been considered in sufficient detail. In this study, a population-based multi-compartment fugacity model is developed by reconfiguring the organisms as populated compartments and reconstructing all the exchange processes between the organism compartments and environmental compartments, especially the previously ignored feedback routes from biota to the environment. We evaluate the model performance by simulating the PCB concentration distribution in Lake Ontario using published loading records. The lake system is divided into three environment compartments (air, water, and sediment) and several organism groups according to the dominant local biotic species. The comparison indicates that the simulated results are well-matched by a list of published field measurements from different years. We identify a new process, called Facilitated Biotic Intermedia Transport (FBIT), to describe the enhanced pollution transport that occurs between environmental media and organisms. As the hydrophobicity of PCB congener increases, the organism population exerts greater influence on PCB mass flows. In a high biomass scenario, the model simulation indicates significant FBIT effects and biotic storage effects with hydrophobic PCB congeners, which also lead to significant shifts in systemic contaminant exchange rates between organisms and the environment. Copyright © 2018 Elsevier Ltd. All rights reserved.

Have We Achieved a Unified Model of Photoreceptor Cell Fate Specification in Vertebrates?

PubMed Central

Raymond, Pamela A.

2008-01-01

How does a retinal progenitor choose to differentiate as a rod or a cone and, if it becomes a cone, which one of their different subtypes? The mechanisms of photoreceptor cell fate specification and differentiation have been extensively investigated in a variety of animal model systems, including human and non-human primates, rodents (mice and rats), chickens, frogs (Xenopus) and fish. It appears timely to discuss whether it is possible to synthesize the resulting information into a unified model applicable to all vertebrates. In this review we focus on several widely used experimental animal model systems to highlight differences in photoreceptor properties among species, the diversity of developmental strategies and solutions that vertebrates use to create retinas with photoreceptors that are adapted to the visual needs of their species, and the limitations of the methods currently available for the investigation of photoreceptor cell fate specification. Based on these considerations, we conclude that we are not yet ready to construct a unified model of photoreceptor cell fate specification in the developing vertebrate retina. PMID:17466954

The secondary drying and the fate of organic solvents for spray dried dispersion drug product.

PubMed

Hsieh, Daniel S; Yue, Hongfei; Nicholson, Sarah J; Roberts, Daniel; Schild, Richard; Gamble, John F; Lindrud, Mark

2015-05-01

To understand the mechanisms of secondary drying of spray-dried dispersion (SDD) drug product and establish a model to describe the fate of organic solvents in such a product. The experimental approach includes characterization of the SDD particles, drying studies of SDD using an integrated weighing balance and mass spectrometer, and the subsequent generation of the drying curve. The theoretical approach includes the establishment of a Fickian diffusion model. The kinetics of solvent removal during secondary drying from the lab scale to a bench scale follows Fickian diffusion model. Excellent agreement is obtained between the experimental data and the prediction from the modeling. The diffusion process is dependent upon temperature. The key to a successful scale up of the secondary drying is to control the drying temperature. The fate of primary solvents including methanol and acetone, and their potential impurity such as benzene can be described by the Fickian diffusion model. A mathematical relationship based upon the ratio of diffusion coefficient was established to predict the benzene concentration from the fate of the primary solvent during the secondary drying process.

MODELING THE FATE OF TOXIC ORGANIC MATERIALS IN AQUATIC ENVIRONMENTS

EPA Science Inventory

Documentation is given for PEST, a dynamic simulation model for evaluating the fate of toxic organic materials (TOM) in freshwater environments. PEST represents the time-varying concentration (in ppm) of a given TOM in each of as many as 16 carrier compartments; it also computes ...

Covariation of metabolic rates and cell size in coccolithophores

NASA Astrophysics Data System (ADS)

Aloisi, G.

2015-08-01

Coccolithophores are sensitive recorders of environmental change. The size of their coccosphere varies in the ocean along gradients of environmental conditions and provides a key for understanding the fate of this important phytoplankton group in the future ocean. But interpreting field changes in coccosphere size in terms of laboratory observations is hard, mainly because the marine signal reflects the response of multiple morphotypes to changes in a combination of environmental variables. In this paper I examine the large corpus of published laboratory experiments with coccolithophores looking for relations between environmental conditions, metabolic rates and cell size (a proxy for coccosphere size). I show that growth, photosynthesis and, to a lesser extent, calcification covary with cell size when pCO2, irradiance, temperature, nitrate, phosphate and iron conditions change. With the exception of phosphate and temperature, a change from limiting to non-limiting conditions always results in an increase in cell size. An increase in phosphate or temperature (below the optimum temperature for growth) produces the opposite effect. The magnitude of the coccosphere-size changes observed in the laboratory is comparable to that observed in the ocean. If the biological reasons behind the environment-metabolism-size link are understood, it will be possible to use coccosphere-size changes in the modern ocean and in marine sediments to investigate the fate of coccolithophores in the future ocean. This reasoning can be extended to the size of coccoliths if, as recent experiments are starting to show, coccolith size reacts to environmental change proportionally to coccosphere size. The coccolithophore database is strongly biased in favour of experiments with the coccolithophore Emiliania huxleyi (E. huxleyi; 82 % of database entries), and more experiments with other species are needed to understand whether these observations can be extended to coccolithophores in general. I introduce a simple model that simulates the growth rate and the size of cells forced by nitrate and phosphate concentrations. By considering a simple rule that allocates the energy flow from nutrient acquisition to cell structure (biomass) and cell maturity (biological complexity, eventually leading to cell division), the model is able to reproduce the covariation of growth rate and cell size observed in laboratory experiments with E. huxleyi when these nutrients become limiting. These results support ongoing efforts to interpret coccosphere and coccolith size measurements in the context of climate change.

Strength of signal: a fundamental mechanism for cell fate specification.

PubMed

Hayes, Sandra M; Love, Paul E

2006-02-01

How equipotent cells develop into complex tissues containing many diverse cell types is still a mystery. However, evidence is accumulating from different tissue systems in multiple organisms that many of the specific receptor families known to regulate cell fate decisions target conserved signaling pathways. A mechanism for preserving specificity in the cellular response that has emerged from these studies is one in which quantitative differences in receptor signaling regulate the cell fate decision. A signal strength model has recently gained support as a means to explain alphabeta/gammadelta lineage commitment. In this review, we compare the alphabeta/gammadelta fate decision with other cell fate decisions that occur outside of the lymphoid system to attain a better picture of the quantitative signaling mechanism for cell fate specification.

A Decision Support Framework for Evaluation of Engineered ...

EPA Pesticide Factsheets

Engineered nanomaterials (ENM) are currently being developed and applied at rates that far exceed our ability to evaluate their potential for environmental or human health risks. The gap between material development and capacity for assessment grows wider every day. Transformative approaches are required that enhance our ability to forecast potential exposure and adverse health risks based on limited information such as the physical and chemical parameters of ENM, their proposed uses, and functional assays reflective of key ENM - environmental interactions. We are developing a framework that encompasses the potential for release of nanomaterials across a product life cycle, environmental transport, transformations and fate, exposure to sensitive species, including humans, and the potential for causing adverse effects. Each component of the framework is conceive of as a sequential segmented model depicting the movement, transformations and actions of ENM through environmental or biological compartments, and along which targeted functional assays can be developed that are indicative of projected rates of ENM movement or action. The eventual goal is to allow simple predictive models to be built that incorporate the data from key functional assays and thereby allow rapid screening of the projected margin of exposure for proposed applications of ENM enabled products. In this way, cases where a substantially safe margin of exposure is forecast can be reduced in

Environmental fate model for ultra-low-volume insecticide applications used for adult mosquito management

USGS Publications Warehouse

Schleier, Jerome J.; Peterson, Robert K.D.; Irvine, Kathryn M.; Marshall, Lucy M.; Weaver, David K.; Preftakes, Collin J.

2012-01-01

One of the more effective ways of managing high densities of adult mosquitoes that vector human and animal pathogens is ultra-low-volume (ULV) aerosol applications of insecticides. The U.S. Environmental Protection Agency uses models that are not validated for ULV insecticide applications and exposure assumptions to perform their human and ecological risk assessments. Currently, there is no validated model that can accurately predict deposition of insecticides applied using ULV technology for adult mosquito management. In addition, little is known about the deposition and drift of small droplets like those used under conditions encountered during ULV applications. The objective of this study was to perform field studies to measure environmental concentrations of insecticides and to develop a validated model to predict the deposition of ULV insecticides. The final regression model was selected by minimizing the Bayesian Information Criterion and its prediction performance was evaluated using k-fold cross validation. Density of the formulation and the density and CMD interaction coefficients were the largest in the model. The results showed that as density of the formulation decreases, deposition increases. The interaction of density and CMD showed that higher density formulations and larger droplets resulted in greater deposition. These results are supported by the aerosol physics literature. A k-fold cross validation demonstrated that the mean square error of the selected regression model is not biased, and the mean square error and mean square prediction error indicated good predictive ability.

Octanol-water distribution of engineered nanomaterials.

PubMed

Hristovski, Kiril D; Westerhoff, Paul K; Posner, Jonathan D

2011-01-01

The goal of this study was to examine the effects of pH and ionic strength on octanol-water distribution of five model engineered nanomaterials. Distribution experiments resulted in a spectrum of three broadly classified scenarios: distribution in the aqueous phase, distribution in the octanol, and distribution into the octanol-water interface. Two distribution coefficients were derived to describe the distribution of nanoparticles among octanol, water and their interface. The results show that particle surface charge, surface functionalization, and composition, as well as the solvent ionic strength and presence of natural organic matter, dramatically impact this distribution. Distributions of nanoparticles into the interface were significant for nanomaterials that exhibit low surface charge in natural pH ranges. Increased ionic strengths also contributed to increased distributions of nanoparticle into the interface. Similarly to the octanol-water distribution coefficients, which represent a starting point in predicting the environmental fate, bioavailability and transport of organic pollutants, distribution coefficients such as the ones described in this study could help to easily predict the fate, bioavailability, and transport of engineered nanomaterials in the environment.

Bud structure, position and fate generate various branching patterns along shoots of closely related Rosaceae species: a review

PubMed Central

Costes, Evelyne; Crespel, Laurent; Denoyes, Béatrice; Morel, Philippe; Demene, Marie-Noëlle; Lauri, Pierre-Eric; Wenden, Bénédicte

2014-01-01

Branching in temperate plants is closely linked to bud fates, either floral or vegetative. Here, we review how the fate of meristematic tissues contained in buds and their position along a shoot imprint specific branching patterns which differ among species. Through examples chosen in closely related species in different genera of the Rosaceae family, a panorama of patterns is apparent. Patterns depend on whether vegetative and floral buds are borne individually or together in mixed buds, develop as the shoot grows or after a rest period, and are located in axillary or terminal positions along the parent shoot. The resulting branching patterns are conserved among varieties in a given species but progressively change with the parent shoot length during plant ontogeny. They can also be modulated by agronomic and environmental conditions. The existence of various organizations in the topology and fate of meristematic tissues and their appendages in closely related species questions the between-species conservation of physiological and molecular mechanisms leading to bud outgrowth vs. quiescence and to floral induction vs. vegetative development. PMID:25520729

Clustering pesticides according to their molecular properties and their impacts by considering additional ecotoxicological parameters in the TyPol method

NASA Astrophysics Data System (ADS)

Traore, Harouna; Crouzet, Olivier; Mamy, Laure; Sireyjol, Christine; Rossard, Virginie; Servien, Remy; Latrille, Eric; Benoit, Pierre

2017-04-01

The understanding of the fate of pesticides and their environmental impacts largely relies on their molecular properties. We recently developed 'TyPol' (Typology of Pollutants), a clustering method based on statistical analyses combining several environmental endpoints (i.e. environmental parameters such as sorption coefficient, degradation half-life) and one ecotoxicological one (bioconcentration factor), and structural molecular descriptors (number of atoms in the molecule, molecular surface, dipole moment, energy of orbitals…). TyPol has been conceived on the available knowledge on QSAR of a wide diversity of organic compounds (Mamy et al., 2015). This approach also allows to focus on transformation products present in different clusters and to infer possible changes in environmental fate consecutively to different degradation processes (Servien et al., 2014; Benoit et al., 2016). The initial version of TyPol did not include any ecotoxicological parameters except the bioconcentration factor (BCF), which informs more on the transfer along the trophic chain rather than on the effects on non-target organisms. The objective was to implement the TyPol database with a data set of ecotoxicological data concerning pesticides and several aquatic and terrestrial organisms, in order to test the possibility to extend TyPol to ecotoxicological effects on various organisms. The data analysis (available literature and databases) revealed that relevant ecotoxicological endpoints for terrestrial organisms such as soil microorganisms and macroinvertebrates are lacking compared to aquatic organisms. We have added seven parameters for acute (EC50, LC50) and chronic (NOEC) toxicological effects for the following organisms: Daphnia, Algae, Lemna and Earthworm. In this new configuration, TyPol was used to classify about 45 pesticides in different behavioural and ecotoxicity clusters. The clustering results were analyzed to reveals relationships between molecular descriptors, environmental parameters and the added toxicological parameters. Some trends between soil adsorption or Kow coefficient and the acute toxicity towards earthworms or algae were highlighted, and discussed on the basis of the concept of contaminant bioavailability. This proof-of-concept study also showed that the in silico clustering method TyPol can successfully address new questions and can be expanded with other parameters of interest. Keywords: pesticides, toxicity, QSAR, clustering, PLS References : Servien R., Mamy L., Li Z., Rossard V., Latrille E., Bessac F., Patureau D., Benoit P., 2014. TyPol - A new methodology for organic compounds clustering based on their molecular characteristics and environmental behavior. Chemosphere, 111, 613-622. Mamy L., Patureau D., Barriuso E., Bedos C., Bessac F., Louchart X., Martin-Laurent F., Miege C., Benoit P., 2015. Prediction of the fate of organic compounds in the environment from their molecular properties: A review. Critical Reviews in Environmental Science and Technology, 45, 12, 1277-1377 (Open access). Benoit P., Mamy L., Servien R., Li Z., Latrille E., Rossard V., Bessac F., Patureau D., Martin-Laurent F. 2017. Categorizing chlordecone potential degradation products to explore their environmental fate. Science of the Total Environment, 574, 781-795.

Evaluating officially reported polycyclic aromatic hydrocarbon emissions in the Athabasca oil sands region with a multimedia fate model

PubMed Central

Parajulee, Abha; Wania, Frank

2014-01-01

Emissions of organic substances with potential toxicity to humans and the environment are a major concern surrounding the rapid industrial development in the Athabasca oil sands region (AOSR). Although concentrations of polycyclic aromatic hydrocarbons (PAHs) in some environmental samples have been reported, a comprehensive picture of organic contaminant sources, pathways, and sinks within the AOSR has yet to be elucidated. We sought to use a dynamic multimedia environmental fate model to reconcile the emissions and residue levels reported for three representative PAHs in the AOSR. Data describing emissions to air compiled from two official sources result in simulated concentrations in air, soil, water, and foliage that tend to fall close to or below the minimum measured concentrations of phenanthrene, pyrene, and benzo(a)pyrene in the environment. Accounting for evaporative emissions (e.g., from tailings pond disposal) provides a more realistic representation of PAH distribution in the AOSR. Such indirect emissions to air were found to be a greater contributor of PAHs to the AOSR atmosphere relative to reported direct emissions to air. The indirect pathway transporting uncontrolled releases of PAHs to aquatic systems via the atmosphere may be as significant a contributor of PAHs to aquatic systems as other supply pathways. Emission density estimates for the three PAHs that account for tailings pond disposal are much closer to estimated global averages than estimates based on the available emissions datasets, which fall close to the global minima. Our results highlight the need for improved accounting of PAH emissions from oil sands operations, especially in light of continued expansion of these operations. PMID:24596429

MODELING MICROBIAL TRANSPORT IN SOIL AND GROUNDWATER: MICROBIOLOGISTS CAN ASSIST IN THE DEVELOPMENT OF MODELS OF CONTAMINANT TRANSPORT

EPA Science Inventory

A large body of literature describes the processes affecting the fate of microorganisms in the subsurface environment (i.e., soil and groundwater). The fate of microorganisms depends on two main components: survival and transport. other components must be considered when determin...

VIRAL TRANSPORT AND FATE MODELS FOR GROUND WATER VULNERABILITY

EPA Science Inventory

The purpose of this project is to develop a model to assess the vulnerability of public water systems to pathogens. It is focused on the sources, fate and transport of viruses in aquifer systems in specific hydrologic settings. It's intended to be used by resource managers or r...

Bioavailability and Environmental Regulation - Integrating a Fate & Effects Model with a Biotic Ligand Model for Copper in Seawater

NASA Astrophysics Data System (ADS)

Rivera, I.; Chadwick, B.; Rosen, G.; Wang, P. F.; Paquin, P.; Santore, R.; Ryan, A.

2015-12-01

Understanding the bioavailability of metals in the aquatic environment is important for defining appropriate regulatory constraints. A failure to recognize the importance of bioavailability factors on metal toxicity can result in criteria that are over- or under-protective. USEPA addresses the tendency of the national Water Quality Criterion (WQC) for regulation of copper in marine waters to underestimate the natural attenuation of copper toxicity in harbors by the application of site-specific Water Quality Standards (WQS). Which provides the level of protection intended by the WQC, and establishes realistic regulatory objectives. However, development of site-specific WQS involves a long-term effort, and does not account for temporal variation. The toxicity model seawater-Biotic Ligand Model (BLM) was developed and integrated with the existing Curvilinear Hydrodynamics in 3 Dimensions (CH3D) transport & fate model to create an efficient tool for development of site-specific WQS in harbors. The integrated model was demonstrated at a harbor-wide scale in San Diego Bay and Pearl Harbor, and accounted for the natural physical, chemical, biological and toxicological characteristics of the harbor to achieve more scientifically based compliance. In both harbors the spatial and temporal distributions of copper species, toxic effects, and Water Effect Ratio predicted by the integrated model are comparable to previous data. The model was further demonstrated in Shelter Island Yacht Basin (SIYB) marina in San Diego Bay. The integrated model agreed with toxicological and chemical approaches by indicating negligible bioavailability as well as no toxicity; but for a single event, even though an increasing gradient in Cu was observed both horizontally and vertically, with concentrations that reached levels well above current regulatory thresholds. These results support the incorporation by USEPA of the seawater-BLM in a full-strength seawater criterion.

Designing herbicide formulation characteristics to maximize efficacy and minimize rice injury in paddy environments.

PubMed

Cryer, S A; Mann, R K; Erhardt-Zabik, S; Keeney, F N; Handy, P R

2001-06-01

Mathematical descriptors, coupled with experimental observations, are used to quantify differential uptake of an experimental herbicide in Japonica and Indica rice (Oryza sativa, non-target) and barnyardgrass (Echinochloa crus-galli, target). Partitioning, degradation, plant uptake and metabolism are described using mass-balance conservation equations in the form of kinetic approximations. Estimated environmental concentrations, governed by the pesticide formulation, are described using superimposed analytical solutions for the one-dimensional diffusion equation in spherical coordinates and by a finite difference representation of the two-dimensional diffusion equation in Cartesian coordinates. Formulation attributes from granules include active ingredient release rates, particle sizes, pesticide loading, and granule spacing. The diffusion model for pesticide transport is coupled with the compartment model to follow the fate and transport of a pesticide from its initial application location to various environmental matrices of interest. Formulation effects, partitioning and degradation in the various environmental matrices, differential plant uptake and metabolism, and dose-response information for plants are accounted for. This novel model provides a mechanism for selecting formulation delivery systems that optimize specific attributes (such as weed control or the therapeutic index) for risk-assessment procedures. In this report we describe how this methodology was used to explore the factors affecting herbicide efficacy and to define an optimal release rate for a granule formulation.

Formation of environmentally persistent free radicals as the mechanism for reduced catechol degradation on hematite-silica surface under UV irradiation.

PubMed

Li, Hao; Pan, Bo; Liao, Shaohua; Zhang, Di; Xing, Baoshan

2014-05-01

Iron is rich in soils, and is recently reported to form stable complexes with organic free radicals, generating environmentally persistent free radicals (EPFRs). The observation may challenge the common viewpoint that iron is an effective catalyst to facilitate the degradation of various organic chemicals. But no study was specifically designed to investigate the possible inhibited degradation of organic chemicals because of the formation of EPFRs in dry environment. We observed that catechol degradation under UV irradiation was decreased over 20% in silica particles coated with 1% hematite in comparison to uncoated silica particles. Stabilized semiquinone or quinine and phenol radicals were involved in HMT-silica system. EPFR formation was thus the reason for the reduced catechol degradation on HMT-silica surface under UV irradiation at ambient temperature. EPFRs should be incorporated in the studies of organic contaminants geochemical behavior, and will be a new input in their environmental fate modeling. Copyright © 2014 Elsevier Ltd. All rights reserved.

Environmental fate and effect assessment of thioridazine and its transformation products formed by photodegradation.

PubMed

Wilde, Marcelo L; Menz, Jakob; Trautwein, Christoph; Leder, Christoph; Kümmerer, Klaus

2016-06-01

An experimental and in silico quantitative structure-activity relationship (QSAR) approach was applied to assess the environmental fate and effects of the antipsychotic drug Thioridazine (THI). The sunlight-driven attenuation of THI was simulated using a Xenon arc lamp. The photodegradation reached the complete primary elimination, whereas 97% of primary elimination and 11% of mineralization was achieved after 256 min of irradiation for the initial concentrations of 500 μg L(-1) and 50 mg L(-1), respectively. A non-target approach for the identification and monitoring of transformation products (TPs) was adopted. The structure of the TPs was further elucidated using liquid chromatography-high resolution mass spectrometry (LC-HRMS). The proposed photodegradation pathway included sulfoxidation, hydroxylation, dehydroxylation, and S- and N-dealkylation, taking into account direct and indirect photolysis through a self-sensitizing process in the higher concentration studied. The biodegradability of THI and photolytic samples of THI was tested according to OECD 301D and 301F, showing that THI and the mixture of TPs were not readily biodegradable. Furthermore, THI was shown to be highly toxic to environmental bacteria using a modified luminescent bacteria test with Vibrio fischeri. This bacteriotoxic activity of THI was significantly reduced by phototransformation and individual concentration-response analysis confirmed a lowered bacterial toxicity for the sulfoxidation products Thioridazine-2-sulfoxide and Thioridazine-5-sulfoxide. Additionally, the applied QSAR models predicted statistical and rule-based positive alerts of mutagenic activities for carbazole derivative TPs (TP 355 and TP 339) formed through sulfoxide elimination, which would require further confirmatory in vitro validation tests. Copyright © 2016 Elsevier Ltd. All rights reserved.

U.S. Geological Survey Science at the Intersection of Health and Environment

NASA Astrophysics Data System (ADS)

Kimball, S. M.; Plumlee, G. S.

2016-12-01

People worldwide worry about how their environment affects their health, and expect scientists to help address these concerns. The OneHealth concept recognizes the crucial linkages between environment, human health, and health of other organisms. Many US Geological Survey science activities directly examine or help inform how the Earth and the environment influence toxicological and infectious diseases. Key is our ability to bring to bear a collective expertise in environmental processes, geology, hydrology, hazards, microbiology, analytical chemistry, ecosystems, energy/mineral resources, geospatial technologies, and other disciplines. Our science examines sources, environmental transport and fate, biological effects, and human exposure pathways of many microbial (e.g. bacteria, protozoans, viruses, fungi), inorganic (e.g. asbestos, arsenic, lead, mercury) and organic (e.g. algal toxins, pesticides, pharmaceuticals) contaminants from geologic, anthropogenic, and disaster sources. We develop new laboratory, experimental, and field methods to analyze, model, and map contaminants, to determine their baseline and natural background levels, and to measure their biological effects. We examine the origins, environmental persistence, wildlife effects, and potential for transmission to humans of pathogens that cause zoonotic or vector-borne diseases (e.g., avian influenza or West Nile virus). Collaborations with human health scientists from many organizations are essential. For example, our work with epidemiologists and toxicologists helps understand the exposure pathways and roles of geologically sourced toxicants such as arsenic (via drinking water) and asbestos (via dusts) in cancer. Work with pulmonologists and pathologists helps clarify the sources and fate of inhaled mineral particles in lungs. Wildlife health scientists help human health scientists assess animals as sentinels of human disease. Such transdisciplinary science is essential at the intersection of health and environment.

Input dynamics of pesticide transformation products into surface water

NASA Astrophysics Data System (ADS)

Kern, Susanne; Singer, Heinz; Hollender, Juliane; Schwarzenbach, René P.; Fenner, Kathrin

2010-05-01

Some pesticide transformation products have been observed to occur in higher concentrations and more frequently than the parent active pesticide in surface water and groundwater. These products are often more mobile and sometimes more stable than the parent pesticide. If they also represent the major product into which the parent substance is transformed, these transformation products may dominate observed pesticide occurrences in surface water and groundwater. Their potential contribution to the overall risk to the aquatic environment caused by the use of the parent pesticide should therefore not be neglected in chemical risk and water quality assessments. The same is true for transformation products of other compound classes that might reach the soil environment, such as veterinary pharmaceuticals. However, the fate and input pathways of transformation products of soil-applied chemicals into surface water are not yet well understood, which largely prevents their appropriate inclusion into chemical risk and water quality assessments. Here, we studied whether prioritization methods based on available environmental fate data from pesticide registration dossiers in combination with basic fate models could help identify transformation products which can be found in relevant concentrations in surface and groundwater and which should therefore be included into monitoring programs. A three-box steady state model containing air, soil, and surface water compartments was used to predict relative inputs of pesticide transformation products into surface waters based on their physico-chemical and environmental fate properties. The model predictions were compared to monitoring data from a small Swiss river located in an intensely agricultural catchment (90 km2) which was flow-proportionally sampled from May to October 2008 and screened for 74 pesticides as well as 50 corresponding transformation products. Sampling mainly occurred during high discharge, but additional samples during baseflow conditions were also taken. The analytical measurements included solid phase extraction, liquid chromatography and high resolution mass spectrometry (SPE-LC-HR-MS/MS). Quantification was achieved using reference standards and internal standards. Besides the well-known transformation products of triazine and chloroacetanilide herbicides, transformation products of other compound classes such as azoxystrobin acid (from azoxystrobin, strobilurin fungicide), chloridazon-desphenyl and chloridazon-methyl-desphenyl (from chloridazon, pyridazinone herbicide), and metamitron-desamino (from metamitron, triazinone herbicide) were analyzed in surface water. For a selection of widely used pesticides in the catchment, modelled ratios of transformation product versus parent pesticide concentrations were compared to the measured concentration ratios in the river for the application period and for two 2-month periods following application. Concentration ratios agreed within a factor of 10 for all pairs of parent pesticides and transformation products, and for all seasons, with a single exception. The ratio of chloridazon-desphenyl to chloridazon was under-predicted by a factor of approximately 20. The data revealed that chloridazon-desphenyl was also found in elevated concentrations in all baseflow samples, indicating its presence in the groundwater component of the catchment. The same was true for other transformation products (e.g., metamitron-desamino, chloridazon-methly-desphenyl, metolachlor-ESA), but to a lesser degree. Based on baseflow separation of the hydrograph, the concentration ratio estimation model was supplemented with an additional baseflow component. The concentrations in the baseflow component were estimated with a simple leaching relationship that was compared against measured baseflow concentrations and groundwater findings in Switzerland. The final model yielded good agreement for all compounds and is therefore deemed suitable for prioritization of transformation products with a relevant exposure potential. It also clearly indicated the contribution of groundwater to the overall occurrence of pesticides and their transformation products in Swiss surface waters.

Modeling aerosol suspension from soils and oceans as sources of micropollutants to air.

PubMed

Qureshi, Asif; MacLeod, Matthew; Hungerbühler, Konrad

2009-10-01

Soil and marine aerosol suspension are two physical mass transfer processes that are not usually included in models describing fate and transport of environmental pollutants. Here, we review the literature on soil and marine aerosol suspension and estimate aerosol suspension mass transfer velocities for inclusion in multimedia models, as a global average and on a 1 x 1 scale. The yearly, global average mass transfer velocity for soil aerosol suspension is estimated to be 6 x 10(-10)mh(-1), approximately an order of magnitude smaller than marine aerosol suspension, which is estimated to be 8 x 10(-9)mh(-1). Monthly averages of these velocities can be as high as 10(-7)mh(-1) and 10(-5)mh(-1) for soil and marine aerosol suspension, respectively, depending on location. We use a unit-world multimedia model to analyze the relevance of these two suspension processes as a mechanism that enhances long-range atmospheric transport of pollutants. This is done by monitoring a metric of long-range transport potential, phi-one thousand (phi1000), that denotes the fraction of modeled emissions to air, water or soil in a source region that reaches a distance of 1000 km in air. We find that when the yearly, globally averaged mass transfer velocity is used, marine aerosol suspension increases phi1000 only fractionally for both emissions to air and water. However, enrichment of substances in marine aerosols, or speciation between ionic and neutral forms in ocean water may increase the influence of this surface-to-air transfer process. Soil aerosol suspension can be the dominant process for soil-to-air transfer in an emission-to-soil scenario for certain substances that have a high affinity to soil. When a suspension mass transfer velocity near the maximum limit is used, soil suspension remains important if the emissions are made to soil, and marine aerosol suspension becomes important regardless of if emissions are made to air or water compartments. We recommend that multimedia models designed to assess the environmental fate and long-range transport behavior of substances with a range of chemical properties include both aerosol suspension processes, using the mass transfer velocities estimated here.

Logic programming to predict cell fate patterns and retrodict genotypes in organogenesis.

PubMed

Hall, Benjamin A; Jackson, Ethan; Hajnal, Alex; Fisher, Jasmin

2014-09-06

Caenorhabditis elegans vulval development is a paradigm system for understanding cell differentiation in the process of organogenesis. Through temporal and spatial controls, the fate pattern of six cells is determined by the competition of the LET-23 and the Notch signalling pathways. Modelling cell fate determination in vulval development using state-based models, coupled with formal analysis techniques, has been established as a powerful approach in predicting the outcome of combinations of mutations. However, computing the outcomes of complex and highly concurrent models can become prohibitive. Here, we show how logic programs derived from state machines describing the differentiation of C. elegans vulval precursor cells can increase the speed of prediction by four orders of magnitude relative to previous approaches. Moreover, this increase in speed allows us to infer, or 'retrodict', compatible genomes from cell fate patterns. We exploit this technique to predict highly variable cell fate patterns resulting from dig-1 reduced-function mutations and let-23 mosaics. In addition to the new insights offered, we propose our technique as a platform for aiding the design and analysis of experimental data. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

IN-SITU CHEMICAL OXIDATION--ENGINEERING ISSUE

EPA Science Inventory

The U.S. Environmental Protection Agency (EPA) Engineering Issue Papers are a series of technology transfer documents that summarize the latest available information on specific technical issues, including fate and transport, specific contaminants, selected treatment and site rem...

Active Pharmaceutical Ingredients and Aquatic Organisms

EPA Science Inventory

The presence of active pharmaceuticals ingredients (APIs) in aquatic systems in recent years has led to a burgeoning literature examining environmental occurrence, fate, effects, risk assessment, and treatability of these compounds. Although APIs have received much attention as ...

ECM for Aldicarb in Soil - MRID 49477402

EPA Pesticide Factsheets

laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with A as the first character.

Testing Consent Order on 3,4-Dichlorobenzotrifluoride (DCBTF) and Response to the Interagency Testing Committee

EPA Pesticide Factsheets

This document announces that EPA has signed an enforceable Testing Consent Order with Occidental Chemical Corp. to perform certain chemical fate and environmental effects tests on 3,4-dichlorobenzotrifluoride (DCBTF).

HAZARDOUS SUBSTANCES DATA BANK (HSDB)

EPA Science Inventory

Hazardous Substances Data Bank (HSDB) is a factual, non-bibliographic data bank focusing upon the toxicology of potentially hazardous chemicals. It is enhanced with data from such related areas as emergency handling procedures, environmental fate, human exposure, detection method...

Rigor of cell fate decision by variable p53 pulses and roles of cooperative gene expression by p53

PubMed Central

Murakami, Yohei; Takada, Shoji

2012-01-01

Upon DNA damage, the cell fate decision between survival and apoptosis is largely regulated by p53-related networks. Recent experiments found a series of discrete p53 pulses in individual cells, which led to the hypothesis that the cell fate decision upon DNA damage is controlled by counting the number of p53 pulses. Under this hypothesis, Sun et al. (2009) modeled the Bax activation switch in the apoptosis signal transduction pathway that can rigorously “count” the number of uniform p53 pulses. Based on experimental evidence, here we use variable p53 pulses with Sun et al.’s model to investigate how the variability in p53 pulses affects the rigor of the cell fate decision by the pulse number. Our calculations showed that the experimentally anticipated variability in the pulse sizes reduces the rigor of the cell fate decision. In addition, we tested the roles of the cooperativity in PUMA expression by p53, finding that lower cooperativity is plausible for more rigorous cell fate decision. This is because the variability in the p53 pulse height is more amplified in PUMA expressions with more cooperative cases. PMID:27857606

Fate and effects of clothianidin in fields using conservation practices.

PubMed

de Perre, Chloé; Murphy, Tracye M; Lydy, Michael J

2015-02-01

Despite the extensive use of the neonicotinoid insecticide clothianidin, and its known toxicity to beneficial insects such as pollinators, little attention has been given to its fate under agricultural field conditions. The present study investigated the fate and toxicity of clothianidin applied every other year as a corn seed-coating at 2 different rates, 0.25 mg/seed and 0.50 mg/seed, in an agricultural field undergoing a corn-soybean annual rotation, and conservation tillage. Concentrations were measured in soil, surface runoff, infiltration, and groundwater from 2011 to 2013. Clothianidin was detected at low concentrations in soil and water throughout the 2-yr corn and soybean rotation. Low and no-tillage had little or no effect on clothianidin concentrations. Laboratory toxicity bioassays were performed on nontarget species, including Daphnia magna, Hyalella azteca, Chironomus dilutus, Pimephales promelas and Eisenia fetida. Risk quotients were calculated from clothianidin concentrations measured in the field and compared with the laboratory toxicity bioassay results to assess the environmental risk of the insecticide. The risk quotient was found to be lower than the level of concern for C. dilutus, which was the most sensitive species tested; therefore, no short-term environmental risk was expected for the species investigated in the present study. © 2014 SETAC.

Compost: Brown gold or toxic trouble?

USGS Publications Warehouse

Kovacic, D.A.; Cahill, R.A.; Bicki, T.J.

1992-01-01

Limited data are available regarding the occurrence of potentially hazardous constituents in raw, uncomposted yard wastes, partially composted yard wastes, and finished compost (15, 16). Environmental monitoring at composting operations or facilities is lacking, and currently published research on the environmental fate of composted yard waste constituents is extremely limited. The cost of thoroughly investigating the fate of toxicants in yard waste may seem needlessly expensive, but it is much less than the cost of cleaning up contaminated sites and groundwater. Could yard waste compost sites become Superfund sites? The cost of a thorough testing program throughout the United States may be several million dollars, but that is only a fraction of the funds spent initiating and developing yard waste composting facilities, let alone the potentially much greater cost of environmental remediation. There is still time to address these problems and to develop sound state and federal guidelines for siting and operating yard waste compost facilities. The rush to implement landfill alternatives such as composting should not be the major driving force in determining legislation governing solid waste management. ?? 1991 American Chemical Society.

Degradation of C60 Fullerol by White-Rot Basidiomycete Fungi: Implications for Environmental Release of Nanomaterials

NASA Astrophysics Data System (ADS)

Schreiner, K. M.; Filley, T. R.; Bolskar, R. D.; Blanchette, R. A.

2008-12-01

Industrially produced carbon-based nanomaterials, including fullerenes and fullerols, will be introduced into the environment in increasing amounts over the next century. Oxygenated fullerenes are likely to be produced in the environment through both biotic and abiotic weathering, and yet the environmental fate of compounds like hydroxylated fullerenes are almost unknown. This study examines the ability of two white rot basidiomycete fungi (Phlebia tremellosa and Trametes versicolor) to metabolize and degrade 13C-labeled C60 fullerol. Both of these fungi were shown to degrade fullerol to CO2 both in the presence of wood tissue and without, and incorporate trace amounts of the carbon into fungal biomass. Absorbance data also indicate that a significant portion of the original fullerol was broken down into small molecular weight metabolites. Phlebia tremellosa proved to be, in general, more aggressive towards fullerol degradation than Trametes versicolor. These findings represent the report of fungal degradation of this important nanomaterial and also provide valuable information about the possible environmental fates of this compound.

Broad-scale adaptive genetic variation in alpine plants is driven by temperature and precipitation

PubMed Central

MANEL, STÉPHANIE; GUGERLI, FELIX; THUILLER, WILFRIED; ALVAREZ, NADIR; LEGENDRE, PIERRE; HOLDEREGGER, ROLF; GIELLY, LUDOVIC; TABERLET, PIERRE

2014-01-01

Identifying adaptive genetic variation is a challenging task, in particular in non-model species for which genomic information is still limited or absent. Here, we studied distribution patterns of amplified fragment length polymorphisms (AFLPs) in response to environmental variation, in 13 alpine plant species consistently sampled across the entire European Alps. Multiple linear regressions were performed between AFLP allele frequencies per site as dependent variables and two categories of independent variables, namely Moran’s eigenvector map MEM variables (to account for spatial and unaccounted environmental variation, and historical demographic processes) and environmental variables. These associations allowed the identification of 153 loci of ecological relevance. Univariate regressions between allele frequency and each environmental factor further showed that loci of ecological relevance were mainly correlated with MEM variables. We found that precipitation and temperature were the best environmental predictors, whereas topographic factors were rarely involved in environmental associations. Climatic factors, subject to rapid variation as a result of the current global warming, are known to strongly influence the fate of alpine plants. Our study shows, for the first time for a large number of species, that the same environmental variables are drivers of plant adaptation at the scale of a whole biome, here the European Alps. PMID:22680783

Chemical Transformation System: Cloud Based ...

EPA Pesticide Factsheets

Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not contain the proprietary chemicals that environmental regulators must consider. We are building the Chemical Transformation System (CTS) to facilitate model parameterization and analysis. CTS integrates a number of physicochemical property calculators into the system including EPI Suite, SPARC, TEST and ChemAxon. The calculators are heterogeneous in their scientific methodologies, technology implementations and deployment stacks. CTS also includes a chemical transformation processing engine that has been loaded with reaction libraries for human biotransformation, abiotic reduction and abiotic hydrolysis. CTS implements a common interface for the disparate calculators accepting molecular identifiers (SMILES, IUPAC, CAS#, user-drawn molecule) before submission for processing. To make the system as accessible as possible and provide a consistent programmatic interface, we wrapped the calculators in a standardized RESTful Application Programming Interface (API) which makes it capable of servicing a much broader spectrum of clients without constraints to interoperability such as operating system or programming language. CTS is hosted in a shared cloud environment, the Quantitative Environmental