WorldWideScience

Sample records for modeling environmental fate

  1. Environmental fate of rice paddy pesticides in a model ecosystem.

    Science.gov (United States)

    Tomizawa, C; Kazano, H

    1979-01-01

    The distribution and metabolic fate of several rice paddy pesticides were evaluated in a modified model ecosystem. Among the three BHC isomers, beta-isomer was the most stable and bioconcentrated in all of the organisms. Alpha- and gamma-isomers were moderately persistent and degraded to some extent during the 33 day period. Disulfoton was relatively persistent due to the transformation to its oxidation products. Pyridaphenthion was fairly biodegradable. N-Phenyl maleic hydrazide derived from the hydrolysis of pyridaphenthion was not detected in the organisms though it was found in the aquarium water after 33 days. Cartap and edifenphos were considerably biodegradable, and the ratio of the conversion to water soluble metabolites was very high. There was a distinct difference in the persistence of Kitazin P and edifenphos in the aquarium water. It appeared that the hydrolysis rate of the pesticides affected their fate in the organisms. PCP appeared to be moderately biodegradable. CNP was considerably stable and stored in the organisms though the concentration in the aquarium water was relatively low. The persistence and distribution of the pesticides in the model ecosystem were dependent on their chemical structures. In spite of the limitation derived from short experimental period, the model ecosystem may be applicable for predicting the environmental fate of pesticides.

  2. Multimedia Environmental Fate and Speciation of Engineered Nanoparticles: A Probabilistic Modeling Approach

    NARCIS (Netherlands)

    Meesters, J.; Quik, J.T.K.; Koelmans, A.A.; Hendriks, A.J.; Meent, van de D.

    2016-01-01

    The robustness of novel multimedia fate models in environmental exposure estimation of engineered nanoparticles (ENPs) remains unclear, because of uncertainties in the emission, physicochemical properties and natural variability in environmental systems. Here, we evaluate the uncertainty in predicte

  3. Multimedia Environmental Fate and Speciation of Engineered Nanoparticles: A Probabilistic Modeling Approach

    NARCIS (Netherlands)

    Meesters, J.; Quik, J.T.K.; Koelmans, A.A.; Hendriks, A.J.; Meent, van de D.

    2016-01-01

    The robustness of novel multimedia fate models in environmental exposure estimation of engineered nanoparticles (ENPs) remains unclear, because of uncertainties in the emission, physicochemical properties and natural variability in environmental systems. Here, we evaluate the uncertainty in

  4. Multimedia Environmental Fate and Speciation of Engineered Nanoparticles: A Probabilistic Modeling Approach

    OpenAIRE

    Meesters, J.A.J.; Quik, J.T.K.; Koelmans, A.A.; Hendriks, A.J.; Meent, D. van de

    2016-01-01

    The robustness of novel multimedia fate models in environmental exposure estimation of engineered nanoparticles (ENPs) remains unclear, because of uncertainties in the emission, physicochemical properties and natural variability in environmental systems. Here, we evaluate the uncertainty in predicted environmental concentrations (PECs) by using the SimpleBox4nano (SB4N) model. Monte Carlo (MC) simulations were performed on the environmental fate, concentrations and speciation of nano-CeO2, -T...

  5. Addressing the complexity of water chemistry in environmental fate modeling for engineered nanoparticles.

    Science.gov (United States)

    Sani-Kast, Nicole; Scheringer, Martin; Slomberg, Danielle; Labille, Jérôme; Praetorius, Antonia; Ollivier, Patrick; Hungerbühler, Konrad

    2015-12-01

    Engineered nanoparticle (ENP) fate models developed to date - aimed at predicting ENP concentration in the aqueous environment - have limited applicability because they employ constant environmental conditions along the modeled system or a highly specific environmental representation; both approaches do not show the effects of spatial and/or temporal variability. To address this conceptual gap, we developed a novel modeling strategy that: 1) incorporates spatial variability in environmental conditions in an existing ENP fate model; and 2) analyzes the effect of a wide range of randomly sampled environmental conditions (representing variations in water chemistry). This approach was employed to investigate the transport of nano-TiO2 in the Lower Rhône River (France) under numerous sets of environmental conditions. The predicted spatial concentration profiles of nano-TiO2 were then grouped according to their similarity by using cluster analysis. The analysis resulted in a small number of clusters representing groups of spatial concentration profiles. All clusters show nano-TiO2 accumulation in the sediment layer, supporting results from previous studies. Analysis of the characteristic features of each cluster demonstrated a strong association between the water conditions in regions close to the ENP emission source and the cluster membership of the corresponding spatial concentration profiles. In particular, water compositions favoring heteroaggregation between the ENPs and suspended particulate matter resulted in clusters of low variability. These conditions are, therefore, reliable predictors of the eventual fate of the modeled ENPs. The conclusions from this study are also valid for ENP fate in other large river systems. Our results, therefore, shift the focus of future modeling and experimental research of ENP environmental fate to the water characteristic in regions near the expected ENP emission sources. Under conditions favoring heteroaggregation in these

  6. Illustrating sensitivity in environmental fate models using partitioning maps - application to selected contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, T.; Wania, F. [Univ. of Toronto at Scarborough - DPES, Toronto (Canada)

    2004-09-15

    Generic environmental multimedia fate models are important tools in the assessment of the impact of organic pollutants. Because of limited possibilities to evaluate generic models by comparison with measured data and the increasing regulatory use of such models, uncertainties of model input and output are of considerable concern. This led to a demand for sensitivity and uncertainty analyses for the outputs of environmental fate models. Usually, variations of model predictions of the environmental fate of organic contaminants are analyzed for only one or at most a few selected chemicals, even though parameter sensitivity and contribution to uncertainty are widely different for different chemicals. We recently presented a graphical method that allows for the comprehensive investigation of model sensitivity and uncertainty for all neutral organic chemicals simultaneously. This is achieved by defining a two-dimensional hypothetical ''chemical space'' as a function of the equilibrium partition coefficients between air, water, and octanol (K{sub OW}, K{sub AW}, K{sub OA}), and plotting sensitivity and/or uncertainty of a specific model result to each input parameter as function of this chemical space. Here we show how such sensitivity maps can be used to quickly identify the variables with the highest influence on the environmental fate of selected, chlorobenzenes, polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), hexachlorocyclohexanes (HCHs) and brominated flame retardents (BFRs).

  7. Application of Multimedia Fugacity Model to Assess the Environmental Fate of Benzo (a Pyrene

    Directory of Open Access Journals (Sweden)

    Theoneste Ntakirutimana

    2012-07-01

    Full Text Available This study was undertaken in order to assess the environmental fate of Benzo (a pyrene. We have highlighted the behavior of Benzo (a pyrene in multimedia environment or biosphere of air, water, soil and sediments. Equilibrium Criterion (EQC model which is used to evaluate the environmental fate of Polycyclic Aromatic Hydrocarbons (PAHs is used as our tool. The structure of the model and the required input data are presented. By undertaking a sequence of level I, II and III calculations, increasing information is obtained about the chemical’s partitioning, environmental process and chemical characteristics that influence chemical fate, its susceptibility to transformation and transport from one media to another. Output data, consisting of diagrams, give a complete picture of Benzo (a pyrene’s fate in an evaluative environment. The role of this model as a tool for assessing the fate of Benzo (a pyrene is discussed. We suggested that this assessment can serve as a template which can be applied to other chemicals and groups of chemicals which are present in the environment.

  8. A multimedia environmental model of chemical distribution: fate, transport, and uncertainty analysis.

    Science.gov (United States)

    Luo, Yuzhou; Yang, Xiusheng

    2007-01-01

    This paper presented a framework for analysis of chemical concentration in the environment and evaluation of variance propagation within the model. This framework was illustrated through a case study of selected organic compounds of benzo[alpha]pyrene (BAP) and hexachlorobenzene (HCB) in the Great Lakes region. A multimedia environmental fate model was applied to perform stochastic simulations of chemical concentrations in various media. Both uncertainty in chemical properties and variability in hydrometeorological parameters were included in the Monte Carlo simulation, resulting in a distribution of concentrations in each medium. Parameters of compartmental dimensions, densities, emissions, and background concentrations were assumed to be constant in this study. The predicted concentrations in air, surface water and sediment were compared to reported data for validation purpose. Based on rank correlations, a sensitivity analysis was conducted to determine the influence of individual input parameters on the output variance for concentration in each environmental medium and for the basin-wide total mass inventory. Results of model validation indicated that the model predictions were in reasonable agreement with spatial distribution patterns, among the five lake basins, of reported data in the literature. For the chemical and environmental parameters given in this study, parameters associated to air-ground partitioning (such as moisture in surface soil, vapor pressure, and deposition velocity) and chemical distribution in soil solid (such as organic carbon partition coefficient and organic carbon content in root-zone soil) were targeted to reduce the uncertainty in basin-wide mass inventory. This results of sensitivity analysis in this study also indicated that the model sensitivity to an input parameter might be affected by the magnitudes of input parameters defined by the parameter settings in the simulation scenario. Therefore, uncertainty and sensitivity analyses

  9. Using Information on Uncertainty to Improve Environmental Fate Modeling: A Case Study on DDT

    Energy Technology Data Exchange (ETDEWEB)

    Schenker, Urs; Scheringer, Martin; Sohn, Michael D.; Maddalena, Randy L.; McKone, Thomas E.; Hungerbuhler, Konrad

    2008-10-01

    Present and future concentrations of DDT in the environment are calculated with the global multi-media model CliMoChem. Monte Carlo simulations are used to assess the importance of uncertainties in substance property data, emission rates, and environmental parameters for model results. Uncertainties in the model results, expressed as 95percent confidence intervals of DDT concentrations in various environmental media, in different geographical locations, and at different points in time are typically between one and two orders of magnitude. An analysis of rank correlations between model inputs and predicted DDT concentrations indicates that emission estimates and degradation rate constants, in particular in the atmosphere, are the most influential model inputs. For DDT levels in the Arctic, temperature dependencies of substance properties are also influential parameters. A Bayesian Monte Carlo approach is used to update uncertain model inputs based on measurements of DDT in the field. The updating procedure suggests a lower value for half-life in air and a reduced range of uncertainty for KOW of DDT. As could be expected, the Bayesian updating yields model results that are closer to observations, and model uncertainties have decreased. The combined sensitivity analysis and Bayesian Monte Carlo approach provide new insight into important processes that govern the global fate and persistence of DDT in the environment.

  10. Application of the Multimedia Urban Model to estimate the emissions and environmental fate of PAHs in Tarragona County, Catalonia, Spain.

    Science.gov (United States)

    Domínguez-Morueco, Noelia; Diamond, Miriam L; Sierra, Jordi; Schuhmacher, Marta; Domingo, José L; Nadal, Martí

    2016-12-15

    The Multimedia Urban Model (MUM-Fate) was used to estimate the emissions, fate and transport of polycyclic aromatic hydrocarbons (PAHs) in Tarragona County, Catalonia, Spain, where the largest chemical/petrochemical industrial complex of Southern Europe is located. MUM-Fate is a Level III steady-state fugacity model consisting of seven bulk media compartments (lower and upper air, surface water, sediment, soil, vegetation, and an organic film that coats impervious surfaces). The model was parameterized according to environmental conditions in Tarragona County, and used to back-calculate emissions from measured air concentrations of naphthalene, anthracene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Modelled results in soils were within the range reported for measured concentrations. Estimated emissions of ∑6PAH were 42ty(-1), with phenanthrene having the greatest value (16ty(-1)). The fate and transport of ∑6PAH were subsequently estimated by running the model an illustrative emission rate of 1molh(-1). Organic film on impervious surfaces was the compartment that achieved the highest concentrations of PAHs, being up to 2·10(8)ngm(-)(3). However, as the film conveys chemicals to surface waters, the persistence in this compartment was <1day. Soils and sediments were the greatest sinks for PAHs, with a persistence of 100-1000days. The greatest loss of PAHs was due to advection from air, followed by photodegradation from air. These results provide a first approximation of the current emissions and fate of PAHs in Tarragona County. Copyright © 2016 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

    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.

  12. Understanding quantitative structure-property relationships uncertainty in environmental fate modeling.

    Science.gov (United States)

    Sarfraz Iqbal, M; Golsteijn, Laura; Öberg, Tomas; Sahlin, Ullrika; Papa, Ester; Kovarich, Simona; Huijbregts, Mark A J

    2013-04-01

    In cases in which experimental data on chemical-specific input parameters are lacking, chemical regulations allow the use of alternatives to testing, such as in silico predictions based on quantitative structure-property relationships (QSPRs). Such predictions are often given as point estimates; however, little is known about the extent to which uncertainties associated with QSPR predictions contribute to uncertainty in fate assessments. In the present study, QSPR-induced uncertainty in overall persistence (POV ) and long-range transport potential (LRTP) was studied by integrating QSPRs into probabilistic assessments of five polybrominated diphenyl ethers (PBDEs), using the multimedia fate model Simplebox. The uncertainty analysis considered QSPR predictions of the fate input parameters' melting point, water solubility, vapor pressure, organic carbon-water partition coefficient, hydroxyl radical degradation, biodegradation, and photolytic degradation. Uncertainty in POV and LRTP was dominated by the uncertainty in direct photolysis and the biodegradation half-life in water. However, the QSPRs developed specifically for PBDEs had a relatively low contribution to uncertainty. These findings suggest that the reliability of the ranking of PBDEs on the basis of POV and LRTP can be substantially improved by developing better QSPRs to estimate degradation properties. The present study demonstrates the use of uncertainty and sensitivity analyses in nontesting strategies and highlights the need for guidance when compounds fall outside the applicability domain of a QSPR.

  13. Modeling the environmental fate of perfluorooctanoic acid and perfluorooctanoate: An investigation of the role of individual species partitioning.

    Science.gov (United States)

    Webster, Eva; Ellis, David A; Reid, Liisa K

    2010-07-01

    A multimedia multi-species environmental fate model was developed for the conjugate pair perfluorooctanoic acid (PFOA):perfluorooctanoate (PFO). The model allows assessment of the relative contribution of each individual species, in equilibrium with each other, to the overall environmental movement of the pair. The Lake Ontario (Canada/USA) watershed system was selected for this investigation and is simulated in a single-region, seven-compartment model, including a water surface microlayer, and aqueous aerosol generation and redeposition. Results indicate that in the equilibrated presence of both PFOA and PFO, the environmental fate of the pair can be accomplished by consideration of the physical properties of the neutral acid, which govern the intermedia distribution of the pair, coupled with processes of media advection, such as air or water flow. The role of the anion, while the most populous species in the aqueous phase, appears merely to be as a source of the neutral acid for subsequent partitioning. Thus, when only the bulk aqueous phase anion concentrations are of interest a multimedia fate model is not required because these concentrations are largely predictable from the magnitude of emissions to and the advection of the phase. With neutral species partitioning, all local field measurement concentrations of the conjugate pair, PFO(A), are explained by the model to within approximately an order of magnitude, with the exception of lake sediment solids. Model results indicate that bulk aqueous phase PFO acts as a net source for PFOA to the atmosphere, where it may be subject to long-range transport (LRT). Initial calculations suggest an atmospheric LRT potential for PFO(A) of thousands of kilometers, rendering it comparable to hexachlorobenzene.

  14. A comparative assessment of efficient uncertainty analysis techniques for environmental fate and transport models: application to the FACT model

    Science.gov (United States)

    Balakrishnan, Suhrid; Roy, Amit; Ierapetritou, Marianthi G.; Flach, Gregory P.; Georgopoulos, Panos G.

    2005-06-01

    This work presents a comparative assessment of efficient uncertainty modeling techniques, including Stochastic Response Surface Method (SRSM) and High Dimensional Model Representation (HDMR). This assessment considers improvement achieved with respect to conventional techniques of modeling uncertainty (Monte Carlo). Given that traditional methods for characterizing uncertainty are very computationally demanding, when they are applied in conjunction with complex environmental fate and transport models, this study aims to assess how accurately these efficient (and hence viable) techniques for uncertainty propagation can capture complex model output uncertainty. As a part of this effort, the efficacy of HDMR, which has primarily been used in the past as a model reduction tool, is also demonstrated for uncertainty analysis. The application chosen to highlight the accuracy of these new techniques is the steady state analysis of the groundwater flow in the Savannah River Site General Separations Area (GSA) using the subsurface Flow And Contaminant Transport (FACT) code. Uncertain inputs included three-dimensional hydraulic conductivity fields, and a two-dimensional recharge rate field. The output variables under consideration were the simulated stream baseflows and hydraulic head values. Results show that the uncertainty analysis outcomes obtained using SRSM and HDMR are practically indistinguishable from those obtained using the conventional Monte Carlo method, while requiring orders of magnitude fewer model simulations.

  15. Partitioning model of the adsorption of explosives from soils to determine its environmental fate

    Directory of Open Access Journals (Sweden)

    Rosalina González Forero

    2014-12-01

    Full Text Available The purpose of this research was to identify the principal soil characteristics that influence the adsorption of munitions constituents (MC of explosives in soils, through a partitioning model to determine the fate of the explosives. To do that, batch experiments near 1:1 (w/v soil to solution ratios reflecting field conditions were conducted using a mixture of HMX, RDX, nitroglycerine (NG, nitroguanidine (NQ, TNT and 2,4-dinitrotoluene as MC, where the mix of MC was adsorbed in twenty-five different soils that varied from 4.0 to 43.2 % clay content and 0.07 to 18.23 % total carbon, in an experiment that involved 2 days of adsorption followed by four consecutive desorption steps. The most important result was that for each MC, even if it was in a mixture, were successfully predicted the partition coefficients using the organic carbon, cation exchange capacity and extractable iron as the principal soil characteristics that determine the fate of these explosives.

  16. Modeling the fate of paddy field pesticide in surface water and environmental risk assessment

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The risk of drinking water is greatly concerned because of the large amount of pesticide applied to paddy field and the contamination of drinking water sources due to the runoff. A mathematical model is developed, based on the mass balance, to predict the fate of paddy field pesticides from application, runoff and mixing in a river, taking account of the physical-chemical properties and processes of volatilization, degradation, adsorption and desorption. The model is applied to a river basin in Japan to estimate the contaminant level of several popularly used pesticides at the water intakes. The health risk in drinking water induced by each pesticide concerned is estimated and evaluated by comparing with the acceptable daily intake values (ADI) and with that induced by trihalomethanes. An index to evaluate the total risk of all pesticides appearing in water is proposed. The methods for risk management are also discussed.

  17. Estimating Emissions and Environmental Fate of Di-(2-ethylhexyl) Phthalate in Yangtze River Delta, China: Application of Inverse Modeling.

    Science.gov (United States)

    Zhan, Yu; Sun, Jianteng; Luo, Yuzhou; Pan, Lili; Deng, Xunfei; Wei, Zi; Zhu, Lizhong

    2016-03-01

    A georeferenced multimedia model was developed for evaluating the emissions and environmental fate of di-2-ethylhexyl phthalate (DEHP) in the Yangtze River Delta (YRD), China. Due to the lack of emission inventories, the emission rates were estimated using the observed concentrations in soil as inputs for the multimedia model solved analytically in an inverse manner. The estimated emission rates were then used to evaluate the environmental fate of DEHP with the regular multimedia modeling approach. The predicted concentrations in air, surface water, and sediment were all consistent with the ranges and spatial variations of observed data. The total emission rate of DEHP in YRD was 13.9 thousand t/year (95% confidence interval: 9.4-23.6), of which urban and rural sources accounted for 47% and 53%, respectively. Soil in rural areas and sediment stored 79% and 13% of the total mass, respectively. The air received 61% of the total emissions of DEHP but was only associated with 0.2% of the total mass due to fast degradation and intensive deposition. We suggest the use of an inverse modeling approach under a tiered risk assessment framework to assist future development and refinement of DEHP emission inventories.

  18. SimpleBox 2.0: a nested multimedia fate model for evaluating the environmental fate of chemicals

    NARCIS (Netherlands)

    Brandes LJ; Hollander H den; Meent D van de; ECO

    1996-01-01

    SimpleBox is a nested multimedia box model of the 'Mackay type'. The environment is modeled as consisting of a set of well-mixed homogeneous compartments (air, fresh water, sea water, sediments, three soil compartments and two vegetation compartments) in regional, continental and global spatial scal

  19. Prediction of the environmental fate of chemicals.

    Science.gov (United States)

    Vighi, M; Calamari, D

    1993-01-01

    An overview is presented of the possibilities of applying multimedia compartmental evaluative models, and in particular the fugacity approach, to predict the environmental distribution and fate of organic chemicals. The use of this predictive approach for the evaluation of exposure to pollutants in the aquatic system is described, with reference to different environments or discharge patterns (surface and groundwaters, point and diffuse sources of pollution). The value and limitations of this approach are noted and the need for more research to improve predictive capability and practical usefulness is indicated. Finally some practical applications of evaluative models in the proposal of quantitative indices for ecotoxicological evaluation of risk from chemicals are described.

  20. An environmental fate study of methoxychlor using water-sediment model system.

    Science.gov (United States)

    Masuda, Minoru; Satsuma, Koji; Sato, Kiyoshi

    2012-01-01

    Agricultural waste water containing pesticides can reach the sea via rivers and estuaries, including brackish lakes. We studied the metabolic fate of methoxychlor [MXC; 1,1,1-trichloro-2,2-bis(4-methoxyphenyl)ethane] in a model system consisting of sediment and associated water collected from two sampling sites: a brackish lake and a freshwater river. MXC degraded rapidly and was finally mineralized in both sediment systems. The first step of degradation was dechlorination to yield 1,1-dichloro-2,2-bis(4-methoxyphenyl)ethane [de-Cl-MXC] or CN-replacement to yield 2,2-bis(4-methoxyphenyl)acetonitrile [MXC-CN], followed by O-demethylation. Although the metabolites were common to the two sediments, the dynamics of the metabolites over time were clearly distinct. In the brackish lake sediment, de-Cl-MXC accumulated transiently, whereas in the river sediment, it was rapidly converted to its demethylated metabolite. We also found that dechlorination and CN-replacement proceeded in autoclave-sterilized river sediment. In the river sediment, the abiotic reaction mediated by abundant humic acid and low oxygen level also appeared to contribute to the overall MXC metabolism.

  1. A fugacity based multimedia environmental fate model of organic contaminants in Massachusetts Bay

    Energy Technology Data Exchange (ETDEWEB)

    Keys, D.; Shea, D. [North Carolina State Univ., Raleigh, NC (United States)

    1995-12-31

    A new sewage outfall is being constructed in Massachusetts Bay as part of the pollution abatement program in Boston Harbor. Previous models of potential environmental impact from the new sewage outfall in Massachusetts Bay have either relied upon hydrodynamic transport models that assume conservative behavior of the contaminants or on non-quantitative conceptual models of non-conservative behavior. The authors have found that a more quantitative mass balance model is necessary to better predict contaminant exposure resulting from effluent discharge through the new outfall. Hence, the authors have developed a time-variant, multimedia environmental model of organic contaminants in the air, water, and sediment phases of Massachusetts Bay. This model is based on the fugacity approach developed by Donald Mackay and is a level 4 unsteady-state model that includes flows through the system. Advection, reaction, and intermedia transport processes are incorporated into the model as first order rate processes and parameters for the model include environmental parameters, physical-chemical properties, contaminant loading estimates from major sources, and transport parameters. The model was applied to several organic contaminants found in Massachusetts Bay water and sediment: naphthalene, benzo(a)pyrene, fluoranthene, dieldrin, 4,4{prime}-DDT, and the polychlorinated biphenyl C16(153). Model output includes a steady-state bay-wide average of water and sediment concentrations, relative distribution of mass after one month at steady state, time to reach steady-state, and residence times. The calculated steady-state concentrations were compared to recent observed values. In addition, sensitivity analysis of the model was performed to indicate which model parameters are most sensitive to perturbation.

  2. Biological degradation of triclocarban and triclosan in a soil under aerobic and anaerobic conditions and comparison with environmental fate modelling

    Energy Technology Data Exchange (ETDEWEB)

    Ying Guangguo [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); CSIRO Land and Water, Adelaide Laboratory, PMB2, Glen Osmond SA 5064 (Australia)], E-mail: guang-guo.ying@gig.ac.cn; Yu Xiangyang [CSIRO Land and Water, Adelaide Laboratory, PMB2, Glen Osmond SA 5064 (Australia); Food Safety Research Institute, Jiangsu Academy of Agricultural Sciences, Nanjing 210014 (China); Kookana, Rai S. [CSIRO Land and Water, Adelaide Laboratory, PMB2, Glen Osmond SA 5064 (Australia)

    2007-12-15

    Triclocarban and triclosan are two antimicrobial agents widely used in many personal care products. Their biodegradation behaviour in soil was investigated by laboratory degradation experiments and environmental fate modelling. Quantitative structure-activity relationship (QSAR) analyses showed that triclocarban and triclosan had a tendency to partition into soil or sediment in the environment. Fate modelling suggests that either triclocarban or triclosan 'does not degrade fast' with its primary biodegradation half-life of 'weeks' and ultimate biodegradation half-life of 'months'. Laboratory experiments showed that triclocarban and triclosan were degraded in the aerobic soil with half-life of 108 days and 18 days, respectively. No negative effect of these two antimicrobial agents on soil microbial activity was observed in the aerobic soil samples during the experiments. But these two compounds persisted in the anaerobic soil within 70 days of the experimental period. - Triclocarban and triclosan can be degraded by microbial processes in aerobic soil, but will persist in anaerobic soil.

  3. Predictions by the multimedia environmental fate model SimpleBox compared to field data: Intermedia concentration ratios of two phthalate esters

    NARCIS (Netherlands)

    Struijs J; Peijnenburg WJGM; ECO

    2003-01-01

    The multimedia environmental fate model SimpleBox is applied to compute steady-state concentration ratios with the aim to harmonize environmetal quality objectives of air, water, sediment and soil. In 1995 the Dutch Health Council recommended validation of the model. Several activities were initiate

  4. Environmental fate model for ultra-low-volume insecticide applications used for adult mosquito management.

    Science.gov (United States)

    Schleier, Jerome J; Peterson, Robert K D; Irvine, Kathryn M; Marshall, Lucy M; Weaver, David K; Preftakes, Collin J

    2012-11-01

    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.

  5. Environmental fate model for ultra-low-volume insecticide applications used for adult mosquito management

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zukowska, Barbara [Department of Analytical Chemistry, Chemical Faculty, Gdansk University of Technology, 11/12 G. Narutowicza St., 80-952 Gdansk (Poland); Breivik, Knut [NILU- Norwegian Institute for Air Research, P.O. Box 100, NO-2027 Kjeller (Norway)]. E-mail: knut.breivik@nilu.no; Wania, Frank [Department of Physical and Environmental Sciences, University of Toronto at Scarborough, 1265 Military Trail, Scarborough, Ontario, M1C 1A4 (Canada)

    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.

  8. The environmental fate of polybrominated diphenyl ethers in the centre of Stockholm - Assessment using a multimedia fugacity model

    Energy Technology Data Exchange (ETDEWEB)

    Palm, Anna

    2001-01-01

    A local-scale assessment of the environmental fate of three congeners of polybrominated diphenyl ethers (PBDEs) has been performed for the centre of Stockholm. The partitioning properties and main transport processes of these congeners in Stockholm are identified using a site-specific multimedia fugacity model, called CeStoc, that was developed and parameterized for the area of interest. CeStoc was based on level III and IV fugacity models. Five compartments were included: air, water, soil, sediment and an organic film covering the impervious surfaces in the city. The model was satisfactory calibrated with the PAH fluoranthene, before it was run for the compounds of interest. Validation with environmental levels of PBDEs was made where possible, showing reasonable agreement with model results. According to the CeStoc results, the majority of the PBDEs emitted are transported out of the region through air advection, implying that Stockholm may act as a source for chemical release to other regions. The largest sink for PBDEs in Stockholm is soil, closely followed by sediment, the two compartments together accounting for about 98 % of the total amount remaining in the system. The degree of bromination does not seem to have a large impact on the environmental distribution in this area, but further research on e.g. physical-chemical properties is necessary before this can be finally concluded. Predicted concentrations of individual PBDE congeners in sediment and water lie in the same range as measured levels of individual PCB-congeners, indicating that PBDEs could have an environmental impact of about the same size as the PCBs.

  9. SIMPLEBOX: a generic multimedia fate evaluation model

    NARCIS (Netherlands)

    Meent D van de

    1993-01-01

    This document describes the technical details of the multimedia fate model SimpleBox, version 1.0 (930801). SimpleBox is a multimedia box model of what is commonly referred to as a "Mackay-type" model ; it assumes spatially homogeneous environmental compartments (air, water, suspended matter, aquati

  10. SIMPLEBOX: a generic multimedia fate evaluation model

    NARCIS (Netherlands)

    van de Meent D

    1993-01-01

    This document describes the technical details of the multimedia fate model SimpleBox, version 1.0 (930801). SimpleBox is a multimedia box model of what is commonly referred to as a "Mackay-type" model ; it assumes spatially homogeneous environmental compartments (air, water, suspended m

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    2016-04-01

    susceptibilities to photodegradation [47]. Comparison of experimental FTIR spectra for CL-20 hydrolysis and DFT theorized spectra for 1,5- and 1,7...environmentally relevant oxidants ( ozone , chlorine dioxide, phosphate and carbonate radicals) by correlating relative rate constants (normalized to 4...available for manganese dioxide (MnO2) [100-103], chlorine dioxide (ClO2) [104], ozone (O3) [105], alkaline-activated persulphate [106], iron

  14. The Environmental Fate Simulator: A tool for predicting the degradation pathways of organic chemicals in groundwater aquifers

    Science.gov (United States)

    Development of the Environmental Fate Simulator (EFS): • High throughput computational system for providing molecular and environmental descriptors for consumption by EF&T models Requires:  Knowledge of the process science controlling chemical fate and transport  The abil...

  15. The Environmental Fate Simulator: A tool for predicting the degradation pathways of organic chemicals in groundwater aquifers

    Science.gov (United States)

    Development of the Environmental Fate Simulator (EFS): • High throughput computational system for providing molecular and environmental descriptors for consumption by EF&T models Requires:  Knowledge of the process science controlling chemical fate and transport  The abil...

  16. Bioavailability and Environmental Regulation - Integrating a Fate & Effects Model with a Biotic Ligand Model for Copper in Seawater

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    2012-01-01

    drift hazard (Hewitt, 2008; Teske et al., 2000). Little is currently known about the deposition and drift of small droplets such as those used during...ULV applications for adult mosquito management ( Teske et al., 2000). Droplets smaller than 50 μm have very low settling velocities, and have similar...risk and regulatory assessments have used models like ISCST3, AgDrift® (Stewart Agricultural Research Services, Macon, MO, USA) ( Teske et al., 2002), and

  18. Aquivalence revisited--new model formulation and application to assess environmental fate of ionic pharmaceuticals in Hamilton Harbour, Lake Ontario.

    Science.gov (United States)

    Csiszar, Susan A; Gandhi, Nilima; Alexy, Radka; Benny, Donald T; Struger, John; Marvin, Chris; Diamond, Miriam L

    2011-07-01

    A model formulation based on "aquivalence", as defined in terms of activity is presented to estimate the multimedia fate of ionizing chemicals. The aquivalence approach is analogous to fugacity but aquivalence is applicable to neutral and ionizing compounds, and has been applied previously to speciating chemicals, notably metals. The new aquivalence-based mass-balance model treats ionizing organic compounds that exist as interconverting neutral and ionic species which are subject to fate processes at differing rates. The model is illustrated by application to four ionizing pharmaceuticals in Hamilton Harbour, Lake Ontario. At the system pH of 7.9-8.5, ibuprofen, gemfibrozil, and naproxen are expected to be almost entirely ionic and triclosan split between ionic and neutral forms. Measured seasonal surface water concentrations, which were 2-10 times lower in the late summer and fall than during spring, were used to solve for unknown values of chemical half-life in the water column due to degradation (photo- and bio-) of the ionizing and neutral forms and secondarily, ionic sorption coefficients of the ionizing forms. Model estimates of half-lives in the habour's water ranged from 11 to 77, 11 to 147 and 10 to 37 for ionic ibuprofen, gemfibrozil, and naproxen, respectively; and 4-22 days and 2-9 days for ionic and neutral triclosan, respectively, with the shortest half-lives in spring and the longest in summer.

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

    Science.gov (United States)

    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

  20. Intermittent rainfall in dynamic multimedia fate modeling.

    Science.gov (United States)

    Hertwich, E G

    2001-03-01

    It has been shown that steady-state multimedia models (level III fugacity models) lead to a substantial underestimate of air concentrations for chemicals with a low Henry's law constant (H multimedia models are used to estimate the spatial range or inhalation exposure. A dynamic model of pollutant fate is developed for conditions of intermittent rainfall to calculate the time profile of pollutant concentrations in different environmental compartments. The model utilizes a new, mathematically efficient approach to dynamic multimedia fate modeling that is based on the convolution of solutions to the initial conditions problem. For the first time, this approach is applied to intermittent conditions. The investigation indicates that the time-averaged pollutant concentrations under intermittent rainfall can be approximated by the appropriately weighted average of steady-state concentrations under conditions with and without rainfall.

  1. Investigating the Toxicity and Environmental Fate of Graphene Nanomaterials

    Science.gov (United States)

    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...

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

    Science.gov (United States)

    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

  3. A dynamic level IV multimedia environmental model: application to the fate of polychlorinated biphenyls in the United Kingdom over a 60-year period.

    Science.gov (United States)

    Sweetman, Andrew J; Cousins, Ian T; Seth, Rajesh; Jones, Kevin C; Mackay, Donald

    2002-05-01

    A dynamic or level IV multimedia model is described and illustrated by application to the fate of three polychlorinated biphenyl (PCB) congeners in the United Kingdom over a 60-year period from their introduction into commerce until the present. Models of this type are shown to be valuable for elucidating the time response of environmental systems to increasing, decreasing, or pulse inputs. The suggestion is made that in addition to the outputs of time-dependent concentrations (which can be compared with monitoring data for validation purposes), it is useful to examine masses, fugacities, and fugacity ratios between media? The relative importance of processes is best evaluated by compiling cumulative intermedia fluxes and quantities lost by reaction and advection and examining the corresponding process rate constants or their reciprocals, the characteristic times. The suggestion is made that uncertainty and sensitivity analyses are desirable, but it must be appreciated that relative sensitivities of input parameters may change during the simulation period, so a single sensitivity analysis conducted at one point in time can be misleading. The use of the model for forecasting future trends in concentration is illustrated. Given the uncertainties in emission and advective inflow rates, the simulation of PCB fate in the United Kingdom is regarded as showing time trends that are in satisfactory agreement with monitoring data.

  4. Environmental fate and behaviour of nanomaterials

    DEFF Research Database (Denmark)

    Hartmann, Nanna Isabella Bloch; Skjolding, Lars Michael; Hansen, Steffen Foss

    In the current report, the existing knowledge on the fate of nanomaterials in the environment is reviewed and the major knowledge gaps are identified.......In the current report, the existing knowledge on the fate of nanomaterials in the environment is reviewed and the major knowledge gaps are identified....

  5. Environmental Distributions of Benzo[a]pyrene in China: Current and Future Emission Reduction Scenarios Explored Using a Spatially Explicit Multimedia Fate Model.

    Science.gov (United States)

    Zhu, Ying; Tao, Shu; Price, Oliver R; Shen, Huizhong; Jones, Kevin C; Sweetman, Andrew J

    2015-12-01

    SESAMe v3.0, a spatially explicit multimedia fate model with 50 × 50 km(2) resolution, has been developed for China to predict environmental concentrations of benzo[a]pyrene (BaP) using an atmospheric emission inventory for 2007. Model predictions are compared with environmental monitoring data obtained from an extensive review of the literature. The model performs well in predicting multimedia concentrations and distributions. Predicted concentrations are compared with guideline values; highest values with some exceedances occur mainly in the North China Plain, Mid Inner Mongolia, and parts of three northeast provinces, Xi'an, Shanghai, and south of Jiangsu province, East Sichuan Basin, middle of Guizhou and Guangzhou. Two potential future scenarios have been assessed using SESAMe v3.0 for 2030 as BaP emission is reduced by (1) technological improvement for coal consumption in energy production and industry sectors in Scenario 1 (Sc1) and (2) technological improvement and control of indoor biomass burning for cooking and indoor space heating and prohibition of open burning of biomass in 2030 in Scenario 2 (Sc2). Sc2 is more efficient in reducing the areas with exceedance of guideline values. Use of SESAMe v3.0 provides insights on future research needs and can inform decision making on options for source reduction.

  6. 40 CFR 158.1300 - Environmental fate data requirements table.

    Science.gov (United States)

    2010-07-01

    ... transformation products. 7. Environmental chemistry methods used to generate data associated with this study must... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Environmental fate data requirements table. 158.1300 Section 158.1300 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED...

  7. Fate of manufactured nanoparticles in environmental systems

    Science.gov (United States)

    Gelabert, A.; Sivry, Y.; Siron, V.; Akrout, A.; Ferrari, R.; Juillot, F.; Menguy, N.; Benedetti, M. F.

    2009-12-01

    Because of their specific physico-chemical properties, engineered nanoparticles (NPs) have become largely widespread in numerous industrial fields such as biomedicine, cosmetics, and material sciences. However, their growing use could possibly result in the release of various NPs amounts in environmental settings. Thus, an accurate understanding of their behaviour in natural systems is required, and of first importance is an estimation of their persistence and/or physico-chemical modifications since they can greatly alter their fate and bioavailability in the biogeosphere. The present study focuses on dissolution rate estimations for commercial NPs ZnO and TiO2 in natural waters (i.e. filtered Seine river water and seawater). Both NPs were used uncoated and coated with an organic polymer. Native NPs size and shape were investigated using TEM, and appeared as 20-50 nm spheroids, with an associated specific surface area of 37.5 and 57.6 m2/g for ZnO and TiO2, respectivelly. NPs dissolution rates were determined using both ultrafiltration (UF) and Donnan Membrane Techniques (DMT, [1]). The latter method allows a direct in-situ measurement of the free metal ion concentration only (here Zn2+), while the UF membrane small nominal pore size (approx. 2 nm) results in the separation of small inorganic complexes in addition to free metal ions. After a fast dissolution step reaching 1% of total zinc within the first hour for uncoated ZnO NPs in Seine water, precipitation of new mineral phases occurred with the formation of smithonite and hydrozincite as observed by XRD and TEM and confirmed by thermodynamic calculations (Visual Minteq). Interestingly, the behaviour of the coated ZnO NPs is slightly different since the initial dissolution step takes place during the first 72 hours, to reach up to 10% of the total zinc in our system. However, despite this difference in dissolution kinetics, both systems evolve similarly after 3 days, and they reach a steady state after

  8. Prediction of the environmental fate and aquatic ecological impact of nitrobenzene in the Songhua River using the modified AQUATOX model

    Institute of Scientific and Technical Information of China (English)

    LEI Bingli; HUANG Shengbiao; QIAO Min; LI Tianyun; WANG Zijian

    2008-01-01

    An accidental discharge of nitrobenzene happened in November 2005 in the Songhuajiang River, China. The AQUATOX model was modified and adapted to simulate the time-dependent nitrobenzene distribution in this multimedia aquatic system and its potential ecological impacts. Nitrobenzene concentrations in flowing water, sediment, and biota were predicted. Based on the initial concentrations of nitrobenzene observed on the field during the accidental discharge, that is, 0.167-1.47 mg/L at different river segments, the predicted water concentrations of nitrobenzene would decrease to 0.02 and 0.002 mg/L after twenty days and one month, respectively. Both model prediction and field observation were in good agreement. The predicted nitrobenzene concentrations in sediments and aquatic organisms would be lower than 0.025 and 0.002 mg/kg, respectively, after two months. Among environmental factors affecting nitrobenzene concentrations in water, inflow water dilution, water temperature, and initial concentration were the most important, by sensitivity analysis. Comparing the perturbed simulation and control simulation, the biomass changes for diatoms and mussel were significantly affected, whereas, no influence on other organisms could be predicted. Therefore the results indicated that nitrobenzene pollution in the Songhuajiang River should have a limited impact on the benthos community.

  9. Environmental fate data base (ENVIROFATE): environmental fate data (DATALOG), June 1988. Data file

    Energy Technology Data Exchange (ETDEWEB)

    Boethling, R.

    1988-06-01

    DATALOG is a bibliographic pointer file of environmental fate data and each record contains a chemical CAS registry number (9 bytes), one of 18 data types (9 bytes), and a reference number (6 bytes) to the full citation in the XREF file. The data types identify physical properties, degradation and transport studies, and food, occupational and ambient monitoring data. The file should be used with CASLST (in order to link the full reference citation). A list of possible data types and their abbreviations are: Adsorption (ADSORP), Bioconcentration (BIOCON), Biodegradation (BIODEG), Dissociation constant (DISS CON), Ecosystem (ECOS), Effluent concentrations (EFFL), Evaporation from water (EVAP), Food and crop concentrations (FOOD), Field studies (FIELD), Henry's Law constant (HENRY CON), Hydrolysis (HYDROL), Monitoring (MONIT), Occupational concentrations (OCCUP), Octanol/water partition coefficient (O/W PART), Photoxidation (PHOTOOXID), UV Spectra (UV), Vapor pressure (VP) and Water solubility (WATER SOL).

  10. Environmental fate of alachlor and metolachlor.

    Science.gov (United States)

    Chesters, G; Simsiman, G V; Levy, J; Alhajjar, B J; Fathulla, R N; Harkin, J M

    1989-01-01

    Decision-makers, scientists, and the interested public should be informed what future research and education is needed if a strong pesticide regulatory program is imposed. Recommendations are intended to highlight research gaps. Some may be of general concern and apply to many pesticides. A situation that calls into question the value of many of our management decisions, is the lack of good field-scale experimentation and of logical mechanisms for translating and extrapolating laboratory data to field-scale dimensions. Many experiments were not designed to allow application of basic statistical criteria. High costs often preclude sufficient replication in field-scale experiments so that researchers must make the "no-win" choice between doing one investigation well or doing two or three poorly. The following observations about alachlor and metolachlor are provided: Pysicochemical properties are accurately determined. The herbicides' modes of action and plant selectivity have received a great deal of attention, but gaps remain in defining which of three modes of action are most important. Geographic distribution and extent of residue contamination of surface waters is documented, but groundwater contamination is poorly defined. Any groundwater monitoring protocol should limit the investigation based on sound scientific judgment since a nationwide monitoring network cannot be economically justified. Enough data are needed, however, to allow mathematical model development, verification and validation for a diversity of soil, geographic, climatic, and agricultural management conditions. In view of the importance of adsorption in determining the fate of pesticides, improved methods of determining adsorption coefficients (KD) are needed particularly for very low concentrations. The impact of soil aggregation on adsorption/desorption needs to be examined. The role of temperature and water content in adsorption/desorption processes needs clearer definition. Although

  11. Development of regionalized multimedia chemical fate models for China

    OpenAIRE

    Zhu, Ying; Jones, Kevin; Sweetman, Andrew; Price, Oliver; Tao, Shu

    2016-01-01

    To balance the economic development with environmental safety and human health, China has released chemicals management legislation for which chemical prioritization and risk assessment are key issues. To support these ambitions two versions of an environmental fate and behaviour model SESAMe (Sino Evaluative Simplebox-MAMI models), have been developed with different resolutions and structures in this thesis. SESAMe is applied to hypothetical chemicals to investigate the influence of environm...

  12. Modeling nanomaterial fate and uptake in the environment

    NARCIS (Netherlands)

    Baalousha, M.; Cornelis, G.; Kuhlbusch, T.A.J.; Lynch, I.; Nickel, C.; Peijnenburg, W.; Brink, Van Den N.W.

    2016-01-01

    Modeling the environmental fate of nanomaterials (NMs) and their uptake by cells and organisms in the environment is essential to underpin experimental research, develop overarching theories, improve our fundamental understanding of NM exposure and hazard, and thus enable risk assessment of NMs.

  13. EVALUATION OF THE STATE-OF-THE-ART CONTAMINATED SEDIMENT TRANSPORT AND FATE MODELING SYSTEM

    Science.gov (United States)

    Modeling approaches for evaluating the transport and fate of sediment and associated contaminants are briefly reviewed. The main emphasis is on: 1) the application of EFDC (Environmental Fluid Dynamics Code), the state-of-the-art contaminated sediment transport and fate public do...

  14. MEASURED CONCENTRATIONS OF HERBICIDES AND MODEL PREDICTIONS OF ATRAZINE FATE IN THE PATUXENT RIVER ESTUARY

    Science.gov (United States)

    McConnell, Laura L., Jennifer A. Harman-Fetcho and James D. Hagy, III. 2004. Measured Concentrations of Herbicides and Model Predictions of Atrazine Fate in the Patuxent River Estuary. J. Environ. Qual. 33(2):594-604. (ERL,GB X1051). The environmental fate of herbicides i...

  15. Environmental occurrences, behavior, fate, and ecological effects of nanomaterials: an introduction to the special series.

    Science.gov (United States)

    Lowry, Gregory V; Hotze, Ernest M; Bernhardt, Emily S; Dionysiou, Dionysios D; Pedersen, Joel A; Wiesner, Mark R; Xing, Baoshan

    2010-01-01

    The release of engineered nanomaterials (ENMs) into the biosphere will increase as industries find new and useful ways to utilize these materials. Scientists and engineers are beginning to assess the material properties that determine the fate, transport, and effects of ENMs; however, the potential impacts of released ENMs on organisms, ecosystems, and human health remain largely unknown. This special collection of four review papers and four technical papers identifies many key and emerging knowledge gaps regarding the interactions between nanomaterials and ecosystems. These critical knowledge gaps include the form, route, and mass of nanomaterials entering the environment; the transformations and ultimate fate of nanomaterials in the environment; the transport, distribution, and bioavailability of nanomaterials in environmental media; and the organismal responses to nanomaterial exposure and effects of nanomaterial inputs, on ecological communities and biogeochemical processes at relevant environmental concentrations and forms. This introductory section summarizes the state of knowledge and emerging areas of research needs identified within the special collection. Despite recent progress in understanding the transport, transformations, and fate of ENMs in model environments and organisms, there remains a large need for fundamental information regarding releases, distribution, transformations and persistence, and bioavailability of nanomaterials. Moreover, fate, transport, bioaccumulation, and ecological impacts research is needed using environmentally relevant concentrations and forms of ENMs in real field materials and with a broader range of organisms.

  16. Fugacity superposition: a new approach to dynamic multimedia fate modeling.

    Science.gov (United States)

    Hertwich, E G

    2001-08-01

    The fugacities, concentrations, or inventories of pollutants in environmental compartments as determined by multimedia environmental fate models of the Mackay type can be superimposed on each other. This is true for both steady-state (level III) and dynamic (level IV) models. Any problem in multimedia fate models with linear, time-invariant transfer and transformation coefficients can be solved through a superposition of a set of n independent solutions to a set of coupled, homogeneous first-order differential equations, where n is the number of compartments in the model. For initial condition problems in dynamic models, the initial inventories can be separated, e.g. by a compartment. The solution is obtained by adding the single-compartment solutions. For time-varying emissions, a convolution integral is used to superimpose solutions. The advantage of this approach is that the differential equations have to be solved only once. No numeric integration is required. Alternatively, the dynamic model can be simplified to algebraic equations using the Laplace transform. For time-varying emissions, the Laplace transform of the model equations is simply multiplied with the Laplace transform of the emission profile. It is also shown that the time-integrated inventories of the initial conditions problems are the same as the inventories in the steady-state problem. This implies that important properties of pollutants such as potential dose, persistence, and characteristic travel distance can be derived from the steady state.

  17. Expanding the applicability of multimedia fate models to polar organic chemicals.

    Science.gov (United States)

    Breivik, Knut; Wania, Frank

    2003-11-01

    Reliable estimates of environmental phase partitioning are essential for accurate predictions of the environmental fate of organic chemicals. Current fate and transport models use single-parameter linear free energy relationships (SP-LFERs) to quantify equilibrium phase partitioning. The applicability of such SP-LFERs is limited because no single parameter is able to describe appropriately all the molecular interactions that contribute to environmental phase distribution processes. Environmental partitioning coefficients predicted by SP-LFERs may thus have errors of up to an order of magnitude. Ranges for several environmental partitioning equilibria are identified, where such errors can result in significantly different fate predictions for individual bulk model compartments. We propose that it is possible to reduce such errors and uncertainties by implementing polyparametric LFER (PP-LFER) approaches in multimedia fate models. A level III fugacity model was modified such that the partitioning properties of chemicals are characterized by five linear solvation energy parameters rather than vapor pressure, water solubility, and octanol-water partition coefficient. A comparison of modified and unmodified models for a set of organic chemicals shows that the approach chosen to simulate environmental phase partitioning can have a large impact on model results, including long-range transport potential, overall persistence, and concentrations in various media. It is argued that PP-LFER based environmental fate models are applicable to a much wider range of organic substances, in particular those with polar functional groups. Obstacles to the full implementation of PP-LFER in multimedia fate models are currently the lack of solute descriptors for some chemicals of environmental concern and suitable regression equations for some important environmental phase equilibria, in particular for the partitioning between gas and particle phase in the atmosphere.

  18. Spatially explicit fate modelling of nanomaterials in natural waters

    NARCIS (Netherlands)

    Quik, J.T.K.; Klein, de J.J.M.; Koelmans, A.A.

    2015-01-01

    Site specific exposure assessments for engineered nanoparticles (ENPs) require spatially explicit fate models, which however are not yet available. Here we present an ENP fate model (NanoDUFLOW) that links ENP specific process descriptions to a spatially explicit hydrological model. The link enables

  19. Prospects for Future Application of Fugacity Model to Fate Studying of POPs in China

    Institute of Scientific and Technical Information of China (English)

    LiYong-fu; CaoHong-ying

    2003-01-01

    POPs can stay long enough to diffuse and transfer sufficiently in the environment. Researches indicate that it's inadequate to study POPs' fate and environmental behavior, in order to get comprehensive knowledge of the POPs'' fate and transfer processes in an area, experiment should be combined with model simulation. Recently multimedia models have become the primary choice in simulating organic pollutant''s fate and assessing exposure risk to ecosystem for they can nearly represent the real environment. Among all models,with simple structure, less required parameters, fngacity model has been an efficient tool used widely on simulating the fate and transport of POPs and put into practice in many countries and areas successfully. On the basis of achievements in scientific research, this paper will emphatically take up the following three questions one by one that consist of fngacity model''s principle, pivotal questions and application prospects in China,

  20. Prospects for Future Application of Fugacity Model to Fate Studying of POPs in China

    Institute of Scientific and Technical Information of China (English)

    Li Yong-fu; Cao Hong-ying

    2003-01-01

    POPs can stay long enough to diffuse and transfer sufficiently in the environment. Researches indicate that it's inadequate to study POPs' fate and environmental behavior, in order to get comprehensive knowledge of the POPs'fate and transfer processes in an area, experiment should be combined with model simulation. Recently multimedia models have become the primary choice in simulating organic pollutant's fate and assessing exposure risk to ecosystem for they can nearly represent the real environment. Among all models,with simple structure, less required parameters, fugacity model has been an efficient tool used widely on simulating the fate and transport of POPs and put into practice in many countries and areas successfully. On the basis of achievements in scientific research, this paper will emphatically take up the following three questions one by one that consist of fugacity model's principle, pivotal questions and application prospects in china.

  1. Spatialised fate factors for nitrate in catchments: modelling approach and implication for LCA results.

    Science.gov (United States)

    Basset-Mens, Claudine; Anibar, Lamiaa; Durand, Patrick; van der Werf, Hayo M G

    2006-08-15

    The challenge for environmental assessment tools, such as Life Cycle Assessment (LCA) is to provide a holistic picture of the environmental impacts of a given system, while being relevant both at a global scale, i.e., for global impact categories such as climate change, and at a smaller scale, i.e., for regional impact categories such as aquatic eutrophication. To this end, the environmental mechanisms between emission and impact should be taken into account. For eutrophication in particular, which is one of the main impacts of farming systems, the fate factor of eutrophying pollutants in catchments, and particularly of nitrate, reflects one of these important and complex environmental mechanisms. We define this fate factor as: the ratio of the amount of nitrate at the outlet of the catchment over the nitrate emitted from the catchment's soils. In LCA, this fate factor is most often assumed equal to 1, while the observed fate factor is generally less than 1. A generic approach for estimating the range of variation of nitrate fate factors in a region of intensive agriculture was proposed. This approach was based on the analysis of different catchment scenarios combining different catchment types and different effective rainfalls. The evolution over time of the nitrate fate factor as well as the steady state fate factor for each catchment scenario was obtained using the INCA simulation model. In line with the general LCA model, the implications of the steady state fate factors for nitrate were investigated for the eutrophication impact result in the framework of an LCA of pig production. A sensitivity analysis to the fraction of nitrate lost as N(2)O was presented for the climate change impact category. This study highlighted the difference between the observed fate factor at a given time, which aggregates both storage and transformation processes and a "steady state fate factor", specific to the system considered. The range of steady state fate factors obtained for

  2. Hydrologic modeling of pathogen fate and transport.

    Science.gov (United States)

    Dorner, Sarah M; Anderson, William B; Slawson, Robin M; Kouwen, Nicholas; Huck, Peter M

    2006-08-01

    A watershed-scale fate and transport model has been developed for Escherichia coli and several waterborne pathogens: Cryptosporidiumspp., Giardiaspp., Campylobacter spp, and E. coli O157:H7. The objectives were to determine the primary sources of pathogenic contamination in a watershed used for drinking water supply and to gain a greater understanding of the factors that most influence their survival and transport. To predict the levels of indicator bacteria and pathogens in surface water, an existing hydrologic model, WATFLOOD, was augmented for pathogen transport and tested on a watershed in Southwestern Ontario, Canada. The pathogen model considered transport as a result of overland flow, subsurface flow to tile drainage systems, and in-stream routing. The model predicted that most microorganisms entering the stream from land-based sources enter the stream from tile drainage systems rather than overland transport. Although the model predicted overland transport to be rare, when it occurred, it corresponded to the highest observed and modeled microbial concentrations. Furthermore, rapid increases in measured E. coli concentrations during storm events suggested that the resuspension of microorganisms from stream sediments may be of equal or greater importance than land-based sources of pathogens.

  3. Uncertainty reduction and characterization for complex environmental fate and transport models: An empirical Bayesian framework incorporating the stochastic response surface method

    Science.gov (United States)

    Balakrishnan, Suhrid; Roy, Amit; Ierapetritou, Marianthi G.; Flach, Gregory P.; Georgopoulos, Panos G.

    2003-12-01

    In this work, a computationally efficient Bayesian framework for the reduction and characterization of parametric uncertainty in computationally demanding environmental 3-D numerical models has been developed. The framework is based on the combined application of the Stochastic Response Surface Method (SRSM, which generates accurate and computationally efficient statistically equivalent reduced models) and the Markov chain Monte Carlo method. The application selected to demonstrate this framework involves steady state groundwater flow at the U.S. Department of Energy Savannah River Site General Separations Area, modeled using the Subsurface Flow And Contaminant Transport (FACT) code. Input parameter uncertainty, based initially on expert opinion, was found to decrease in all variables of the posterior distribution. The joint posterior distribution obtained was then further used for the final uncertainty analysis of the stream base flows and well location hydraulic head values.

  4. Advances in Spatially Explicit Environmental Multimedia Fate Models of POPs%持久性有机污染物环境多介质空间分异模型研究进展

    Institute of Scientific and Technical Information of China (English)

    刘世杰; 吕永龙; 史雅娟

    2011-01-01

    Spatially explicit environmental multimedia fate models are used to give an accurate, detailed and distinct description of the transport, transformation and partition of POPs in multimedia. They are important tools in simulating the fate and assessing the risk of POPs. The spatial explicit multimedia models were divided into mass balance models and atmospheric transport models. Several currently available spatial explicit multimedia models such as GLOBO-POP,CliMoChem, BETR, IMPACT 2002, G-CIEMS, MSCE-POP and DEHM-POPs were compared based on the literature research. Development and the applications in domestic and abroad over the past decade of the models are reviewed, and the present situations in the development of this kind of models in China are analyzed. It is pointed out that the lack of measurable data and environmental parameters is a major factor restricting the development of the models. And the prospects of spatial explicit multimedia models are also proposed.%环境多介质空间分异模型能够对持久性有机污染物(POPs)在环境多个介质中空间尺度上的迁移转化和分配过程进行准确、细致和接近真实的描述,是进行POPs的环境多介质归趋模拟和环境风险评价的重要工具.将环境多介质空间分异模型分为环境多介质质量平衡空间区划模型和大气化学传输模型,对目前几种常用的环境多介质空间分异模型GLOBO-POP、CliMoChem、BETR、IMPACT 2002、G-CIEMS、MSCE-POP和DEHM-POP模型的基本情况进行了介绍,并分析了这些模型近十年来在国内外的开发和应用情况.对当前国内外环境多介质空间分异模型研究中存在的不足进行了分析,指出监测手段的落后、基础环境参数的不足和实验数据的稀缺是制约国内此类模型发展的主要因素,并对环境多介质空间分异模型的开发和应用前景进行了展望.

  5. Environmental fate of natural radioactive contaminants in fertilizers and phosphogypsum

    Energy Technology Data Exchange (ETDEWEB)

    Batalha, Marcia Salamoni; Genuchten, Martinus Theodorus van, E-mail: msbatalha@oi.com.b, E-mail: rvangenuchten@yahoo.co [Federal University of Rio de Janeiro (LTTC/COPPE/UFRJ), RJ (Brazil). Dept. of Mechanical Engineering. Lab. de Transmissao e Tecnologia do Calor; Bezerra, Camila Rosa, E-mail: camila.rosabz@gmail.co [Federal University of Rio de Janeiro (COPPE/UFRJ), RJ (Brazil). Dept. of Civil Engineering; Pontedeiro, Elizabeth May, E-mail: bettymay@cnen.gov.b [Brazilian Nuclear Energy Commission (CNEN), Rio de Janeiro, RJ (Brazil)

    2010-07-01

    Agricultural soils often require the use of fertilizers and soil conditioners for optimal production. Phosphate fertilizers produced from igneous phosphate rock often contain small amounts of natural radionuclides (notably uranium and thorium), while the byproduct phosphogypsum (dihydrated calcium sulfate) is typically enriched in radium and lead. It is important to understand the long-term fate of these radionuclides when routinely applied via fertilizers ({sup 238}U and {sup 234}U) and phosphogypsum as an amendment ({sup 226}Ra and {sup 210}Pb) to agricultural lands. This study addresses the results of modeling their transport in a typical Cerrado soil profile. The HYDRUS-1D code was used to compare possible soil and groundwater pollution scenarios following the long term use of fertilizers and phosphogypsum in agricultural operations. Results using the equilibrium transport approach suggest that radionuclide concentrations originating from the use of phosphate fertilizers and phosphogypsum are relatively modest and will not pose a major risk to polluting underlying groundwater resources. (author)

  6. Environmental occurrence, fate and transformation of benzodiazepines in water treatment.

    Science.gov (United States)

    Kosjek, T; Perko, S; Zupanc, M; Zanoški Hren, M; Landeka Dragičević, T; Zigon, D; Kompare, B; Heath, E

    2012-02-01

    Benzodiazepine derivatives are prescribed in large quantities globally and are potentially new emerging environmental contaminants. Unfortunately, a dearth of data exists concerning occurrence, persistence and fate in the environment. This paper redresses this by reviewing existing literature, assessing the occurrence of selected benzodiazepine anxiolytics (diazepam, oxazepam and bromazepam) in wastewater influent and effluent and surface water from Slovenia, evaluating their removal during water treatment and identifying the transformation products formed during water treatment. Their occurrence was monitored in hospital effluent, river water and in wastewater treatment plant influent and effluent. The study reveals the presence of benzodiazepine derivatives in all samples with the highest amounts in hospital effluents: 111 ng L(-1), 158 ng L(-1) and 72 ng L(-1) for diazepam, bromazepam and oxazepam, respectively. Removal efficiencies with respect to biological treatment of diazepam were 16-18% (oxic), 18-32% (anoxic→oxic), 53-76% (oxic→anoxic) and 83% (oxic→anoxic→oxic→anoxic cascade bioreactors), while the removal oxazepam was 20-24% under anoxic conditions. Coupled biological and photochemical treatment followed by the adsorption to activated carbon resulted in a removal efficiency of 99.99%. Results reveal the recalcitrant nature of benzodiazepine derivatives and suggest that only combinational treatment is sufficient to remove them. In addition, eight novel diazepam and four novel oxazepam transformation products are reported. Copyright © 2011 Elsevier Ltd. All rights reserved.

  7. Sustainable use of veterinary pharmaceuticals on the territory (Sust-PHarm): Linking available database of manure management and environmental fate models.

    Science.gov (United States)

    Di Guardo, Andrea; Finizio, Antonio

    2017-01-01

    Analogously to the evolution of the EU legislation on pesticides, there is an increasing need of strategies aiming to reach a "sustainable use of veterinary pharmaceuticals". To this end, it is essential to develop tools, such as supporting information systems (SIS), for managing the environmental risks of veterinary pharmaceuticals on a territorial scale. In this context, we propose Sust-PHarm (SUSTainable use of veterinary Pharmaceuticals), a SIS useful to identify groundwater vulnerable areas to veterinary pharmaceuticals at both local and regional scale. As background, Sust-PHarm follows the schemes of SIS for pesticides. The latter are based on the integration of predictive models in GIS. The proposed approach goes a step forward by integrating also data on the typologies of livestock farm, their spatial distribution and manure management techniques. This information allows to identify the potential environmental loads of veterinary pharmaceuticals. In this paper, we discuss the innovative elements characterizing Sust-PHarm through a comparison with the SIS currently used for pesticides. The advantages of Sust-PHarm are discussed using Lombardia Region (Northern Italy) as a case study. Simulations were made on 12 veterinary pharmaceuticals characterized by different physical-chemical properties. Results are compared with the current guidelines for the evaluation of veterinary pharmaceuticals leaching highlighting some substantial differences when realistic data are utilized making our approach more accurate than guidelines one.

  8. Modelling the fate of organic micropollutants in stormwater ponds

    DEFF Research Database (Denmark)

    Vezzaro, Luca; Eriksson, Eva; Ledin, Anna;

    2011-01-01

    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 themost 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...... 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...

  9. Environmental fate of TCDD and Agent Orange and bioavailability to troops in Vietnam

    Energy Technology Data Exchange (ETDEWEB)

    Karch, N.J.; Watkins, D.K.; Ginevan, M.E. [Exponent, Inc., Washington, DC (United States); Young, A.L. [Oklahoma Univ., Norman, OK (United States)

    2004-09-15

    This paper reviews the environmental fate of Agent Orange and the contaminant, 2,3,7,8- tetrachlorodibenzo-p-dioxin (TCDD), and discusses how this affects the bioavailability of TCDD for ground troops in Vietnam.

  10. Environmental fate of pyrethroids in urban and suburban stream sediments and the appropriateness of Hyalella azteca model in determining ecological risk.

    Science.gov (United States)

    Palmquist, Katherine; Fairbrother, Anne; Salatas, Johanna; Guiney, Patrick D

    2011-07-01

    According to several recent studies using standard acute Hyalella azteca sediment bioassays, increased pyrethroid use in urban and suburban regions in California has resulted in the accumulation of toxic concentrations of pyrethroids in sediments of area streams and estuaries. However, a critical review of the literature indicates that this is likely an overestimation of environmental risk. Hyalella azteca is consistently the most susceptible organism to both aqueous and sediment-associated pyrethroid exposures when compared to a suite of other aquatic taxa. In some cases, H. azteca LC50 values are less than the community HC10 values, suggesting that the amphipod is an overly conservative model for community- or ecosystem-level impacts of sediment-associated pyrethroids. Further, as a model for responses of field populations of H. azteca, the laboratory bioassays considerably overestimate exposure, because the amphipod is more appropriately characterized as an epibenthic organism, not a true sediment dweller; H. azteca preferentially inhabit aquatic macrophytes, periphyton mats, and leaf litter, which drastically reduces their exposure to contaminated sediments. Sediment-bound pyrethroids are transported via downstream washing of fine particulates resulting in longer range transport but also more efficient sequestration of the chemical. In addition, site-specific variables such as sediment organic carbon content, grain size, temperature, and microbial activity alter pyrethroid bioavailability, degradation, and toxicity on a microhabitat scale. The type and source of the carbon in particular, influences the pyrethroid sequestering ability of sediments. The resulting irregular distribution of pyrethroids in stream sediments suggests that sufficient nonimpacted habitat may exist as refugia for resident sediment-dwelling organisms for rapid recolonization to occur. Given these factors, we argue that the amphipod model provides, at best, a screening level assessment of

  11. BasinBox: a generic multimedia fate model for predicting the fate of chemicals in river catchments

    NARCIS (Netherlands)

    Hollander, A; Huijbregts, M A J; Ragas, A M J; Meent, D van de

    2006-01-01

    Multimedia fate models have proven to be very useful tools in chemical risk assessment and management. This paper presents BasinBox, a newly developed steady-state generic multimedia fate model for evaluating risks of new and existing chemicals in river basins. The model concepts, as well as the int

  12. Models of Fate and Transport of Pollutants in Surface Waters

    Science.gov (United States)

    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.…

  13. Models of Fate and Transport of Pollutants in Surface Waters

    Science.gov (United States)

    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.…

  14. Environmental fate and effects of the lampricide Bayluscide: A review

    Science.gov (United States)

    Dawson, V.K.

    2003-01-01

    Bayluscide is an additive to TFM that increases the effectiveness of TFM as a lampricide. A review of the literature was undertaken to determine the environmental fate and effects of Bayluscide. Niclosamide (2???, 5-dichloro-4???-nitrosalicylanilide), the active ingredient of Bayluscide, degrades rapidly in natural water and sediment systems, however, the rate of degradation is very slow in autoclaved samples. This difference suggests that degradation under laboratory conditions is dependent on microbial activity and hydrolysis plays a minor role in degradation of niclosamide. The major degradation product of niclosamide has been reported to be aminoniclosamide (2???,5-dichloro-4???-aminosalicylanilide), which represented more than 50% of the residues extractable from sediments. Significantly more of the chemical is adsorbed to sediments with higher organic content and at lower pH's. The mobility of niclosamide in soil can be characterized as slight to medium; the estimated leaching distance would range from 0 to > 25 cm depending on the soil type and pH. The active ingredient of Bayluscide (niclosamide) is decomposed by ultra-violet light depending on the intensity and duration of the exposure. The uptake of residues by most invertebrates exposed to 14C-niclosamide is fairly rapid and equilibrium is reached within 24 h. About 90% of the accumulated residues were lost within 48 h after the organisms were transferred to clean flowing water. As with invertebrates, fish rapidly accumulate and eliminate residues of niclosamide. Three distinct residues were isolated from the extracts of edible fillet tissue; parent niclosamide, the glucuronide conjugate of niclosamide, and the sulfate ester of niclosamide. Aquatic plants and agricultural crops do not appear to be adversely affected at concentrations of Bayluscide used for lamprey or snail control. Mayflies (Hexagenia sp.). tend to be susceptible to TFM, but are relatively resistant to the effects of exposure to

  15. An evaluation of the environmental fate and behavior of munitions material (TNT, RDX) in soil and plant systems: Environmental fate and behavior of RDX

    Energy Technology Data Exchange (ETDEWEB)

    Cataldo, D.A.; Harvey, S.D.; Fellows, R.J.

    1990-08-01

    The objective of the present investigation was to elucidate the environmental behavior and fate of hexahydro-1,3,5-trinitro-1,3,5- triazine (RDX), particularly as related to its transport and chemical form in the food chain. To meet this goal, we needed to adapt and develop suitable analytical methodology to fractionate and characterize both RDX and RDX-derived residues in soil and plant matrices. Using the methodology that we developed, we assessed the chemical and physical fate of RDX in soils and plants. In general, the plant availability and plant mobility of RDX is substantially greater than that previously reported for TNT. 30 refs., 27 figs., 26 tabs.

  16. An evaluation of the environmental fate and behavior of munitions material (TNT, RDX) in soil and plant systems: Environmental fate and behavior of RDX

    Energy Technology Data Exchange (ETDEWEB)

    Cataldo, D.A.; Harvey, S.D.; Fellows, R.J.

    1990-08-01

    The objective of the present investigation was to elucidate the environmental behavior and fate of hexahydro-1,3,5-trinitro-1,3,5- triazine (RDX), particularly as related to its transport and chemical form in the food chain. To meet this goal, we needed to adapt and develop suitable analytical methodology to fractionate and characterize both RDX and RDX-derived residues in soil and plant matrices. Using the methodology that we developed, we assessed the chemical and physical fate of RDX in soils and plants. In general, the plant availability and plant mobility of RDX is substantially greater than that previously reported for TNT. 30 refs., 27 figs., 26 tabs.

  17. Distribution and variance/covariance structure of pesticide environmental fate data.

    Science.gov (United States)

    Spurlock, Frank

    2008-08-01

    Hydrophobicity, persistence, and volatility data for individual pesticides are widely used in risk assessment and transport modeling, so it is important to understand their distribution, variation, and covariation. Correlations (normalized covariance) among properties across a range of multiple pesticides are also important for understanding fundamental relationships among the properties. For the present study, multiple determinations of 11 physicochemical properties of 262 individual pesticides were compiled, primarily from registrant submissions. A Z-score normality analysis indicates that, barring specific data to the contrary, log normality is a reasonable assumption for three properties commonly treated as random variables in modeling: Organic carbon-normalized soil sorption coefficient, aerobic soil metabolism half-life, and field dissipation half-life. Various percentiles for coefficients of variation of the variables are provided, allowing probabilistic modelers to choose realistic population parameters for sampling distributions. A second data set consisting of median values of individual properties for each pesticide was used to investigate the covariance structure of eight of the most important fate properties across 172 pesticides using correlation analysis and exploratory common factor analysis. That analysis demonstrated the use of common factor analysis for reducing the dimensionality of multicollinear environmental fate data, yielding three new orthogonal variables containing most of the information in the original data, and provided insight into the fundamental data structure.

  18. Pesticidal copper (I) oxide: environmental fate and aquatic toxicity.

    Science.gov (United States)

    Kiaune, Lina; Singhasemanon, Nan

    2011-01-01

    reversibility of sensory function effects. The fish olfactory system may be the most sensitive structure to copper pollution. The major factors that influence copper-induced toxicity are dissolved organic carbon and water salinity. Dissolved organic carbon reduces copper toxicity by sequestering bioavailable copper and forming organic complexes with it. Salinity, on the other hand, influences copper bioavailability at the biological action site and also affects metal biodistribution and bioaccumulation in the organism. Therefore, the salinity gradient can increase or decrease copper toxicity in different aquatic species. In some killifish, copper may affect different organs at different times, depending on the water salinity. The most studied and best explained copper toxicity mechanisms involve inhibition of key enzymes and disruption of osmoregulation in the gill. Other toxicity mechanisms may involve reactive oxygen species generation and changes of gene transcription in the fish olfactory signaling pathway. More studies are needed to evaluate the potential magnitude of copper remobilization from the sediment that may result from climate change and its effects on surface waters. Moreover, the environmental exposure, fate, and ecotoxicity of emerging metal nanoparticles, including nanocopper, will require additional studies as new forms of copper appear from application of nanotechnology to copper compounds.

  19. Environmental fate and effects of nicotine released during cigarette production.

    Science.gov (United States)

    Seckar, Joel A; Stavanja, Mari S; Harp, Paul R; Yi, Yongsheng; Garner, Charles D; Doi, Jon

    2008-07-01

    A variety of test methods were used to study the gradation, bioaccumulation, and toxicity of nicotine. Studies included determination of the octanol-water partition coefficient, conversion to CO2 in soil and activated sludge, and evaluation of the effects on microbiological and algal inhibition as well as plant germination and root elongation. The partitioning of nicotine between octanol and water indicated that nicotine will not bioaccumulate regardless of the pH of the medium. The aqueous and soil-based biodegradation studies indicated that nicotine is readily biodegradable in both types of media. The microbiological inhibition and aquatic and terrestrial toxicity tests indicated that nicotine has low toxicity. The U.S. Environmental Protection Agency Persistence, Bioaccumulation, and Toxicity Profiler model, based on the structure of nicotine and the predictive rates of hydroxyl radical and ozone reactions, estimated an atmospheric half-life of less than 5.0 h. Using this value in the Canadian Environmental Modeling Center level III model, the half-life of nicotine was estimated as 3.0 d in water and 0.5 d in soil. This model also estimated nicotine discharge into the environment; nicotine would be expected to be found predominantly in water (93%), followed by soil (4%), air (3%), and sediment (0.4%). Using the estimated nicotine concentrations in water, soil, and sediment and the proper median effective concentrations derived from the algal growth, biomass inhibition, and buttercrunch lettuce (Lactuca sativa) seed germination and root elongation studies, hazard quotients of between 10(-7) and 10(-8) were calculated, providing further support for the conclusion that the potential for nicotine toxicity to aquatic and terrestrial species in the environment is extremely low.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  2. Porous Silicon's Photoactivity in Water: Insights into Environmental Fate.

    Science.gov (United States)

    Moor, Kyle J; Cates, Ezra L; Kim, Jae-Hong

    2016-01-19

    Interest in porous silicon (pSi) (and, more broadly, silicon nanoparticles (NPs)) has increased along with their concomitant use in various commercial and consumer products, yet little is known about their behavior in the natural environment. In this study, we have investigated the photosensitization, optical, and surface properties of pSi as a function of time in aqueous systems. Samples were prepared via an anodic electrochemical etching procedure, resulting in pSi particles with diameters of ca. 500 nm, composed of a porous network of Si nanocrystallites of 2-4 nm. Initially, pSi particles generated significant amounts of (1)O2, yet they rapidly lost much of this ability due to the formation of an oxide layer on the surface, as determined by X-ray photoelectron spectroscopy, which likely prevented further photosensitization events. Addition of natural organic matter (NOM) did not significantly impact pSi's photosensitization abilities. The pSi lacked any intrinsic bactericidal properties on Escherichia coli and did not produce enough (1)O2 to considerably affect populations of a model virus, PR772, highlighting its relatively benign nature toward microbial communities. Results from this study suggest that the photoactivity of pSi is unlikely to persist in aqueous systems and that it may instead behave more similarly to silica particles from an environmental perspective.

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

    Science.gov (United States)

    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

  4. Environmental Fate and Exposure Assessment for Arsenic in Groundwater

    Science.gov (United States)

    2008-08-01

    groundwater. Geology 32 (11):953-956. Lackovic, J. A., N. P. Nikolaidis, and G. M. Dobbs. 2000. Inorganic arsenic removal by zero- valent iron...from Bangladesh tube well water with filter columns containing zerovalent iron filings and sand. Environmental Science & Technology 39 (20):8032...aquifer sands from Araihazar, Bangladesh . Environmental Science & Technology 41 (10):3639-3645. Reisinger, H. J., D. R. Burris, and J. G. Hering. 2005

  5. Aquatic Environmental Contamination: The fate of Asejire Lake in ...

    African Journals Online (AJOL)

    titi_aladesanmi

    had a threshold in which the body can take before they will be lethal, as a result, accumulation ... need for environmental regulation and policy intervention in other to prevent the risk attached to ... out the world, human use of water and bad planning have .... The optimum temperature and the heat stability of the sample was.

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

    Science.gov (United States)

    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.

  7. MODELING MERCURY FATE IN SEVEN GEORGIA WATERSHEDS

    Science.gov (United States)

    Field and modeling studies were conducted in support of total maximum daily loads (TMDLs)for mercury in six south Georgia rivers and the Savannah River. Mercury is introduced to these rivers primarily by atmospheric deposition, with minor point source loadings. To produce mercu...

  8. The Fate of Luminous Compact Blue Galaxies: An Environmental Approach

    CERN Document Server

    Crawford, S M; Glenn, A; Hössel, J G

    2004-01-01

    Luminous Compact Blue Galaxies (LCBGs) are a heterogeneous class which dominate an intermediate phase of galaxy evolution. These sources account for the majority of the star formation between 0.3environmental dependence to their evolution may provide the answer. We have undertaken the first census of LCBGs in intermediate-redshift clusters using broad and narrow-band images from the WIYN Long Term Variability Study. Several key clusters are in the southern sky. The Southern African Large Telescope's (SALT) Prime Focus Imaging Spectrograph (PFIS), with a field of view matching our WIYN data, will allow us to determine several fundamental characteristics of cluster LCBGs, including (1) star formation rates (SFR) and metallicities from low dispersion Mulit-Object Spectroscopy (MOS); (2) dynamical masses from line-widths measured via high dispersion MOS; and (3) cluster velocity dispersions of LCBGs relative to other cluster em...

  9. Organic synthetic environmental endocrine disruptors: structural classes and metabolic fate.

    Science.gov (United States)

    Schmidt, Jan; Peterlin-Mašič, Lucija

    2012-12-01

    Endocrine disruption is the modification of the endocrine system causing harmful effects in healthy subjects or their offspring. Physiological endocrine hormones act at very low plasma concentrations, and certain chemicals known as endocrine disrupting compounds (EDCs) are suspected of modifying endocrine function at similarly low concentrations. In our review we focus mainly on the structural classes of organic synthetic environmental endocrine disruptors and their common structural elements that enable them to interact with estrogen signalling. EDCs can affect estrogenic signalling directly through interaction with estrogen receptors (ERs) or indirectly through transcription factors such as the aryl hydrocarbon receptor (AhR) or by modulation of critical metabolic enzymes engaged in estrogen biosynthesis and metabolism. However, some structural elements can also pose a great risk of cytotoxicity and genotoxicity, especially after biotransformation to reactive metabolites.

  10. Environmental Fate of Organophosphorus Compounds Related to Chemical Weapons

    Energy Technology Data Exchange (ETDEWEB)

    Davisson, M L; Love, A H; Vance, A; Reynolds, J G

    2005-02-08

    Man-made organophosphorus compounds have been widely distributed throughout our environment as pesticides since their development during and after WWII. Many important studies have documented their relative persistence and toxicity. Development and use of some organophosphorus compounds as nerve agents gave rise to a separate but parallel effort to understand environmental persistence. In this latter case, the experiments have focused mainly on evaporation rates and first-order reaction kinetics. However, because organophosphorus compounds are easily polarized, the ionic content of a surrounding media directly factors into these reaction rates, but limited work in this regard has been done under environmentally relevant conditions. Furthermore, limited experiments investigating persistence of these agents on soil has resulted in widely varying degradation rates. Not surprisingly, no studies have investigated affinities of organophosphorus nerve agents to mineral or organic matter typically found in soil. As a result, we initiated laboratory experiments on dilute concentrations of nerve agent O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothiolate (VX) to quantify persistence in simulated environmental aqueous conditions. A quantitative analytical method was developed for VX and its degradation products using High Performance Liquid Chromatography-Electrospray Ionization-Mass Spectrometry (HPLC-ESI-MS). VX hydrolysis rate is known to have a pH-dependency, however, the type of buffer and the relative proportion of different nucleophiles in solution significantly affect the overall rate and mechanism of degradation. For example, dissolved carbonate, a weak nucleophile dominating natural water, yielded pseudo-first order rate constants of {approx} 8 x 10{sup -3}/hr at pH 5 and 2 x 10{sup -2}/hr at pH 11. This small pH-dependent variation departs significantly from widely accepted rates at this pH range (4 x 10{sup -4}/hr to 8 x 10{sup -2}/hr) that were based on

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

    Science.gov (United States)

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

    2015-04-01

    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.

  12. Environmental fate of double-stranded RNA in agricultural soils.

    Directory of Open Access Journals (Sweden)

    Samuel Dubelman

    Full Text Available A laboratory soil degradation study was conducted to determine the biodegradation potential of a DvSnf7 dsRNA transcript derived from a Monsanto genetically modified (GM maize product that confers resistance to corn rootworm (CRW; Diabrotica spp.. This study provides new information to improve the environmental assessment of dsRNAs that become pesticidal through an RNAi process. Three agricultural soils differing in their physicochemical characteristics were obtained from the U.S., Illinois (IL; silt loam, Missouri (MO; loamy sand and North Dakota (ND; clay loam, and exposed to the target dsRNA by incorporating insect-protected maize biomass and purified (in vitro-transcribed DvSnf7 RNA into soil. The GM and control (non-GM maize materials were added to each soil and incubated at ca. 22 °C for 48 hours (h. Samples were collected at 12 time intervals during the incubation period, extracted, and analyzed using QuantiGene molecular analysis and insect bioassay methods. The DT50 (half-life values for DvSnf7 RNA in IL, MO, and ND soils were 19, 28, and 15 h based on QuantiGene, and 18, 29, and 14 h based on insect bioassay, respectively. Furthermore, the DT90 (time to 90% degradation values for DvSnf7 RNA in all three soils were <35 h. These results indicate that DvSnf7 RNA was degraded and biological activity was undetectable within approximately 2 days after application to soil, regardless of texture, pH, clay content and other soil differences. Furthermore, soil-incorporated DvSnf7 RNA was non-detectable in soil after 48 h, as measured by QuantiGene, at levels ranging more than two orders of magnitude (0.3, 1.5, 7.5 and 37.5 µg RNA/g soil. Results from this study indicate that the DvSnf7 dsRNA is unlikely to persist or accumulate in the environment. Furthermore, the rapid degradation of DvSnf7 dsRNA provides a basis to define relevant exposure scenarios for future RNA-based agricultural products.

  13. Building 235-F Goldsim Fate And Transport Model

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, G. A.; Phifer, M. A.

    2012-09-14

    Savannah River National Laboratory (SRNL) personnel, at the request of Area Completion Projects (ACP), evaluated In-Situ Disposal (ISD) alternatives that are under consideration for deactivation and decommissioning (D&D) of Building 235-F and the Building 294-2F Sand Filter. SRNL personnel developed and used a GoldSim fate and transport model, which is consistent with Musall 2012, to evaluate relative to groundwater protection, ISD alternatives that involve either source removal and/or the grouting of portions or all of 235-F. This evaluation was conducted through the development and use of a Building 235-F GoldSim fate and transport model. The model simulates contaminant release from four 235-F process areas and the 294-2F Sand Filter. In addition, it simulates the fate and transport through the vadose zone, the Upper Three Runs (UTR) aquifer, and the Upper Three Runs (UTR) creek. The model is designed as a stochastic model, and as such it can provide both deterministic and stochastic (probabilistic) results. The results show that the median radium activity concentrations exceed the 5 ?Ci/L radium MCL at the edge of the building for all ISD alternatives after 10,000 years, except those with a sufficient amount of inventory removed. A very interesting result was that grouting was shown to basically have minimal effect on the radium activity concentration. During the first 1,000 years grouting may have some small positive benefit relative to radium, however after that it may have a slightly deleterious effect. The Pb-210 results, relative to its 0.06 ?Ci/L PRG, are essentially identical to the radium results, but the Pb-210 results exhibit a lesser degree of exceedance. In summary, some level of inventory removal will be required to ensure that groundwater standards are met.

  14. Fipronil: environmental fate, ecotoxicology, and human health concerns.

    Science.gov (United States)

    Tingle, Colin C D; Rother, Joachim A; Dewhurst, Charles F; Lauer, Sasha; King, William J

    2003-01-01

    be warranted. The use of some fipronil-based products on domestic animals is not recommended where handlers spend significant amounts of time grooming or handling treated animals. In general, it would appear unwise to use fipronil-based insecticides without accompanying environmental and human health monitoring, in situations, regions, or countries where it has not been used before, and where its use may lead to its introduction into the wider environment or bring it into contact with people. Further work is needed on the impacts of fipronil on nontarget vertebrate fauna (amphibians, reptiles, birds, and mammals) in the field before the risk to wildlife from this insecticide can be adequately validated. Further field study of the effects of fipronil on the nutrient cycling and soil water-infiltration activities of beneficial termites is required to assess the ecological impacts of the known toxicity of fipronil to these insects.

  15. Multiphase CFD modeling of nearfield fate of sediment plumes

    DEFF Research Database (Denmark)

    Saremi, Sina; Hjelmager Jensen, Jacob

    2014-01-01

    Disposal of dredged material and the overflow discharge during the dredging activities is a matter of concern due to the potential risks imposed by the plumes on surrounding marine environment. This gives rise to accurately prediction of the fate of the sediment plumes released in ambient waters....... The two-phase mixture solution based on the drift-flux method is evaluated for 3D simulation of material disposal and overflow discharge from the hoppers. The model takes into account the hindrance and resistance mechanisms in the mixture and is capable of describing the flow details within the plumes...... and gives excellent results when compared to experimental data....

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

    Science.gov (United States)

    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 Ba

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

    Science.gov (United States)

    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.

  18. Integrated model for predicting the fate of organics in waste-water treatment plants

    Energy Technology Data Exchange (ETDEWEB)

    Govind, R.; Lai, L.; Dobbs, R.

    1991-01-01

    An integrated Fate Model has been developed for predicting the fate of organics in a wastewater treatment plant. The Fate Model has been validated using experimental data from a pilot-scale facility. The biodegradation kinetic constants for some compounds in the Fate Model were estimated using the group contribution approach. The Fate Model has been compared with other existing models in the literature. Potential applications of the Fate Model include assessment of volatile organic compound (VOC) emissions from a wastewater treatment plant, evaluate pretreatment requirements prior to discharge to the sewer system, predict concentrations of toxic compounds on sludges, and provide a general framework for estimating the removal of toxic compounds during activated sludge treatment.

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

    Science.gov (United States)

    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...

  20. Environmental transport and fate of endocrine disruptors from non-potable reuse of municipal wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Hudson, B; Beller, H; Bartel, C M; Kane, S; Campbell, C; Grayson, A; Liu, N; Burastero, S

    2005-11-16

    This project was designed to investigate the important but virtually unstudied topic of the subsurface transport and fate of Endocrine Disrupting Compounds (EDCs) when treated wastewater is used for landscape irrigation (non-potable water reuse). Although potable water reuse was outside the scope of this project, the investigation clearly has relevance to such water recycling practices. The target compounds, which are discussed in the following section and include EDCs such as 4-nonylphenol (NP) and 17{beta}-estradiol, were studied not only because of their potential estrogenic effects on receptors but also because they can be useful as tracers of wastewater residue in groundwater. Since the compounds were expected to occur at very low (part per trillion) concentrations in groundwater, highly selective and sensitive analytical techniques had to be developed for their analysis. This project assessed the distributions of these compounds in wastewater effluents and groundwater, and examined their fate in laboratory soil columns simulating the infiltration of treated wastewater into an aquifer (e.g., as could occur during irrigation of a golf course or park with nonpotable treated water). Bioassays were used to determine the estrogenic activity present in effluents and groundwater, and the results were correlated with those from chemical analysis. In vitro assays for estrogenic activity were employed to provide an integrated measure of estrogenic potency of environmental samples without requiring knowledge or measurement of all bioactive compounds in the samples. For this project, the Las Positas Golf Course (LPGC) in the City of Livermore provided an ideal setting. Since 1978, irrigation of this area with treated wastewater has dominated the overall water budget. For a variety of reasons, a group of 10 monitoring wells were installed to evaluate wastewater impacts on the local groundwater. Additionally, these wells were regularly monitored for tritium ({sup 3}H

  1. Early perturbation in mitochondria redox homeostasis in response to environmental stress predicts cell fate in diatoms.

    Science.gov (United States)

    van Creveld, Shiri Graff; Rosenwasser, Shilo; Schatz, Daniella; Koren, Ilan; Vardi, Assaf

    2015-02-01

    Diatoms are ubiquitous marine photosynthetic eukaryotes that are responsible for about 20% of global photosynthesis. Nevertheless, little is known about the redox-based mechanisms that mediate diatom sensing and acclimation to environmental stress. Here we used a redox-sensitive green fluorescent protein sensor targeted to various subcellular organelles in the marine diatom Phaeodactylum tricornutum, to map the spatial and temporal oxidation patterns in response to environmental stresses. Specific organelle oxidation patterns were found in response to various stress conditions such as oxidative stress, nutrient limitation and exposure to diatom-derived infochemicals. We found a strong correlation between the mitochondrial glutathione (GSH) redox potential (EGSH) and subsequent induction of cell death in response to the diatom-derived unsaturated aldehyde 2E,4E/Z-decadienal (DD), and a volatile halocarbon (BrCN) that mediate trophic-level interactions in marine diatoms. Induction of cell death in response to DD was mediated by oxidation of mitochondrial EGSH and was reversible by application of GSH only within a narrow time frame. We found that cell fate can be accurately predicted by a distinct life-death threshold of mitochondrial EGSH (-335 mV). We propose that compartmentalized redox-based signaling can integrate the input of diverse environmental cues and will determine cell fate decisions as part of algal acclimation to stress conditions.

  2. Current United States Department of Agriculture-Agricultural Research Service research on understanding agrochemical fate and transport to prevent and mitigate adverse environmental impacts.

    Science.gov (United States)

    Hapeman, Cathleen J; McConnell, Laura L; Rice, Clifford P; Sadeghi, Ali M; Schmidt, Walter F; McCarty, Gregory W; Starr, James L; Rice, Pamela J; Angier, Jonathan T; Harman-Fetcho, J A

    2003-01-01

    Environmentally and economically viable agriculture requires a variety of cultivation practices and pest management options as no one system will be appropriate for every situation. Agrochemicals are some of the many pest control tools used in an integrated approach to pest management. They are applied with the intent of maximizing efficacy while minimizing off-site movement; however, their judicious use demands a practical knowledge of their fate and effects in agricultural and natural ecosystems. Agrochemical distribution into environmental compartments is influenced by the physical and chemical properties of the agrochemical and environmental conditions, ie soil type and structure, and meteorological conditions. Agricultural Research Service (ARS) researchers working in the area of agrochemical fate have focused on accurately describing those processes that govern the transport, degradation and bioavailability of these chemicals under conditions reflecting actual agronomic practices. Results from ARS research concerning the environmental fate and effects of agrochemicals have led to the development of science-based management practices that will protect vulnerable areas of the ecosystem. The new challenge is to identify these vulnerable areas and the temporal and spatial variations prior to use of the chemical by predicting how it will behave in environmental matrices, and using that information, predict its transport and transformation within an air- or watershed. With the development of better predictive tools and GIS (Geographic Information System)-based modeling, the risks of agricultural management systems can be assessed at the watershed and basin levels, and management strategies can be identified that minimize negative environmental impacts.

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

    Science.gov (United States)

    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.

  4. Environmental Modeling Center

    Data.gov (United States)

    Federal Laboratory Consortium — The Environmental Modeling Center provides the computational tools to perform geostatistical analysis, to model ground water and atmospheric releases for comparison...

  5. Agrochemical fate models applied in agricultural areas from Colombia

    Science.gov (United States)

    Garcia-Santos, Glenda; Yang, Jing; Andreoli, Romano; Binder, Claudia

    2010-05-01

    The misuse application of pesticides in mainly agricultural catchments can lead to severe problems for humans and environment. Especially in developing countries where there is often found overuse of agrochemicals and incipient or lack of water quality monitoring at local and regional levels, models are needed for decision making and hot spots identification. However, the complexity of the water cycle contrasts strongly with the scarce data availability, limiting the number of analysis, techniques, and models available to researchers. Therefore there is a strong need for model simplification able to appropriate model complexity and still represent the processes. We have developed a new model so-called Westpa-Pest to improve water quality management of an agricultural catchment located in the highlands of Colombia. Westpa-Pest is based on the fully distributed hydrologic model Wetspa and a fate pesticide module. We have applied a multi-criteria analysis for model selection under the conditions and data availability found in the region and compared with the new developed Westpa-Pest model. Furthermore, both models were empirically calibrated and validated. The following questions were addressed i) what are the strengths and weaknesses of the models?, ii) which are the most sensitive parameters of each model?, iii) what happens with uncertainties in soil parameters?, and iv) how sensitive are the transfer coefficients?

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  8. Fate modelling of chemical compounds with incomplete data sets

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    in an approximate way. The idea is that not all data needed in a multi-media fate and exposure model are completely independent and equally important, but that there are physical-chemical and biological relationships between sets of chemical properties. A statistical model is constructed to underpin this assumption......, and to provide simplified proxies for the more complicated “real”model relationships. In the presented study two approaches for the reduction of the data demand associated with characterization of chemical emissions in USEtoxTM are tested: The first approach yields a simplified set of mode of entry specific meta......-models with a data demand of app. 63 % (5/8) of the USEtoxTM characterization model. The second yields a simplified set of mode of entry specific meta-models with a data demand of 75 % (6/8) of the original model. The results of the study indicate that it is possible to simplify characterization models and lower...

  9. Towards validation of the NanoDUFLOW nanoparticle fate model for the river Dommel, The Netherlands

    NARCIS (Netherlands)

    Klein, de J.J.M.; Quik, J.T.K.; Bauerlein, P.; Koelmans, A.A.

    2016-01-01

    It is generally acknowledged that fate models for engineered nanoparticles (ENPs) hardly can be validated, given present limitations in analytical methods available for ENPs. Here we report on progress towards validation of the spatially resolved hydrological ENP fate model NanoDUFLOW, by comparing

  10. 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

    Energy Technology Data Exchange (ETDEWEB)

    Fellows, R.J.; Harvey, S.D.; Cataldo, D.A.

    1993-09-01

    The objective of the present studies was to elucidate the environmental behavior and fate of 2,4,6trintrophenylmethylnitramine (tetryl) in the soil/plant system in three different types of soils incubated for 60 days. No tetryl was detectable after 11 days; most of the radiolabel was associated with non-extractable soil components and four transformation products appeared rapidly, of which two were identified as N-methyl-2,4,6-trintroaniline and N-methyl-aminodinitroaniline isomer. Short-term hydroponic studies indicated no significant difference in uptake rates for the three plant species employed. Kinetic studies indicated that plants have a high affinity and capacity for absorbing tetryl. Partitioning patterns indicated that the root is the major accumulation site for tetryl. Chemical fractionation and analyses of tissues showed rapid metabolism of tetryl in tissues of all species, which proceeded toward more polar metabolic products. Plant maturity studies indicated significant differences in the total relative uptake of tetryl by all three plant species based on soil type.

  11. 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

    Energy Technology Data Exchange (ETDEWEB)

    Fellows, R.J.; Harvey, S.D.; Cataldo, D.A.

    1993-09-01

    The objective of the present studies was to elucidate the environmental behavior and fate of 2,4,6trintrophenylmethylnitramine (tetryl) in the soil/plant system in three different types of soils incubated for 60 days. No tetryl was detectable after 11 days; most of the radiolabel was associated with non-extractable soil components and four transformation products appeared rapidly, of which two were identified as N-methyl-2,4,6-trintroaniline and N-methyl-aminodinitroaniline isomer. Short-term hydroponic studies indicated no significant difference in uptake rates for the three plant species employed. Kinetic studies indicated that plants have a high affinity and capacity for absorbing tetryl. Partitioning patterns indicated that the root is the major accumulation site for tetryl. Chemical fractionation and analyses of tissues showed rapid metabolism of tetryl in tissues of all species, which proceeded toward more polar metabolic products. Plant maturity studies indicated significant differences in the total relative uptake of tetryl by all three plant species based on soil type.

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

    Science.gov (United States)

    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

  13. Fate modeling of phenanthrene with regional variation in Tianjin, China

    Energy Technology Data Exchange (ETDEWEB)

    Tao, S.; Cao, H.; Liu, W.; [and others] [Peking University, Beijing (China). Dept. of Urban and Environmental Sciences

    2003-06-01

    A multimedia fate model with spatially resolved air and soil phases was developed and evaluated. The model was used for calculation of phenanthrene concentrations in air, water, soil and sediment in Tianjin area and transport flxues between the adjacent bulk phases under steady-state assumption. Both air and soil phases were divided into 3113 individual compartments of 4 km{sup 2} each to assess the spatial variation of phenanthrene concentrations and fluxes. Independently measured phenanthrene concentrations in air, water and soil were used for model validation. The large amount of coal used seems to be the major source of phenanthrene in the Tainjin area. The spatial distribution patterns of phenanthrene in both air and soil were well modeled. Spatially, however, the model overestimated the soil phenanthrene level at low concentration range and underestimated it at high concentration range. The calculated distribution of phenanthrene in the air matches well with the emission from fossil fuel combustion, while the calculated distribution pattern in the soil is similar to that observed. 36 refs., 10 figs.

  14. Applications of contaminant fate and bioaccumulation models in assessing ecological risks of chemicals: A case study for gasoline hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    MacLeod, Matthew; McKone, Thomas E.; Foster, Karen L.; Maddalena, Randy L.; Parkerton, Thomas F.; Mackay, Don

    2004-02-01

    Mass balance models of chemical fate and transport can be applied in ecological risk assessments for quantitative estimation of concentrations in air, water, soil and sediment. These concentrations can, in turn, be used to estimate organism exposures and ultimately internal tissue concentrations that can be compared to mode-of-action-based critical body residues that correspond to toxic effects. From this comparison, risks to the exposed organism can be evaluated. To illustrate the practical utility of fate models in ecological risk assessments of commercial products, the EQC model and a simple screening level biouptake model including three organisms, (a bird, a mammal and a fish) is applied to gasoline. In this analysis, gasoline is divided into 24 components or ''blocks'' with similar environmental fate properties that are assumed to elicit ecotoxicity via a narcotic mode of action. Results demonstrate that differences in chemical properties and mode of entry into the environment lead to profound differences in the efficiency of transport from emission to target biota. We discuss the implications of these results and insights gained into the regional fate and ecological risks associated with gasoline. This approach is particularly suitable for assessing mixtures of components that have similar modes of action. We conclude that the model-based methodologies presented are widely applicable for screening level ecological risk assessments that support effective chemicals management.

  15. Phosphorus fate, management, and modeling in artificially drained systems.

    Science.gov (United States)

    Kleinman, Peter J A; Smith, Douglas R; Bolster, Carl H; Easton, Zachary M

    2015-03-01

    Phosphorus (P) losses in agricultural drainage waters, both surface and subsurface, are among the most difficult form of nonpoint source pollution to mitigate. This special collection of papers on P in drainage waters documents the range of field conditions leading to P loss in drainage water, the potential for drainage and nutrient management practices to control drainage losses of P, and the ability of models to represent P loss to drainage systems. A review of P in tile drainage and case studies from North America, Europe, and New Zealand highlight the potential for artificial drainage to exacerbate watershed loads of dissolved and particulate P via rapid, bypass flow and shorter flow path distances. Trade-offs are identified in association with drainage intensification, tillage, cover crops, and manure management. While P in drainage waters tends to be tied to surface sources of P (soil, amendments or vegetation) that are in highest concentration, legacy sources of P may occur at deeper depths or other points along drainage flow paths. Most startling, none of the major fate-and-transport models used to predict management impacts on watershed P losses simulate the dominant processes of P loss to drainage waters. Because P losses to drainage waters can be so difficult to manage and to model, major investment are needed (i) in systems that can provide necessary drainage for agronomic production while detaining peak flows and promoting P retention and (ii) in models that can adequately describe P loss to drainage waters.

  16. Effects of nanoplastics and microplastics on toxicity, bioaccumulation, and environmental fate of phenanthrene in fresh water.

    Science.gov (United States)

    Ma, Yini; Huang, Anna; Cao, Siqi; Sun, Feifei; Wang, Lianhong; Guo, Hongyan; Ji, Rong

    2016-12-01

    Contamination of fine plastic particles (FPs), including micrometer to millimeter plastics (MPs) and nanometer plastics (NPs), in the environment has caught great concerns. FPs are strong adsorbents for hydrophobic toxic pollutants and may affect their fate and toxicity in the environment; however, such information is still rare. We studied joint toxicity of FPs with phenanthrene to Daphnia magna and effects of FPs on the environmental fate and bioaccumulation of (14)C-phenanthrene in fresh water. Within the five sizes particles we tested (from 50 nm to 10 μm), 50-nm NPs showed significant toxicity and physical damage to D. magna. The joint toxicity of 50-nm NPs and phenanthrene to D. magna showed an additive effect. During a 14-days incubation, the presence of NPs significantly enhanced bioaccumulation of phenanthrene-derived residues in daphnid body and inhibited the dissipation and transformation of phenanthrene in the medium, while 10-μm MPs did not show significant effects on the bioaccumulation, dissipation, and transformation of phenanthrene. The differences may be attributed to higher adsorption of phenanthrene on 50-nm NPs than 10-μm MPs. Our findings underlined the high potential ecological risks of FPs, and suggested that NPs should be given more concerns, in terms of their interaction with hydrophobic pollutants in the environment.

  17. The environmental fate of organic pollutants through the global microbial metabolism.

    Science.gov (United States)

    Gómez, Manuel J; Pazos, Florencio; Guijarro, Francisco J; de Lorenzo, Víctor; Valencia, Alfonso

    2007-01-01

    The production of new chemicals for industrial or therapeutic applications exceeds our ability to generate experimental data on their biological fate once they are released into the environment. Typically, mixtures of organic pollutants are freed into a variety of sites inhabited by diverse microorganisms, which structure complex multispecies metabolic networks. A machine learning approach has been instrumental to expose a correlation between the frequency of 149 atomic triads (chemotopes) common in organo-chemical compounds and the global capacity of microorganisms to metabolise them. Depending on the type of environmental fate defined, the system can correctly predict the biodegradative outcome for 73-87% of compounds. This system is available to the community as a web server (http://www.pdg.cnb.uam.es/BDPSERVER). The application of this predictive tool to chemical species released into the environment provides an early instrument for tentatively classifying the compounds as biodegradable or recalcitrant. Automated surveys of lists of industrial chemicals currently employed in large quantities revealed that herbicides are the group of functional molecules more difficult to recycle into the biosphere through the inclusive microbial metabolism.

  18. Modelling fate and effects of toxicologically relevant hydrocarbon fractions following hypothetical oil spills in a marine environment

    Energy Technology Data Exchange (ETDEWEB)

    St-Amand, A.; Mazzocco, P.; Stephenson, M. [Stantec Consulting Ltd., Fredericton, NB (Canada)

    2009-07-01

    Numerical oil spill models have generally focused on the transport and fate of oil following a spill through processes such as advection, evaporation, spreading dissolution, dispersion, emulsification, biodegradation and sedimentation. These models provide information regarding the trajectory, location and size of the oil slick, as well as the location where the slick will touch shorelines. The models normally treat the spilled hydrocarbon as a single product or group of representative compounds which is not very useful in evaluating toxicological risks to aquatic biota. For that reason, Stantec developed a model that simultaneously evaluates the likely fate and co-toxicity of toxicologically relevant hydrocarbon compounds and fractions in water following an oil spill in a marine environment. Compounds currently considered in the model include polycyclic aromatic hydrocarbons, volatile organic compounds, BTEX compounds, (benzene, toluene, ethylbenzene, xylenes) and the Canada-Wide Standard hydrocarbon fractions. The fate of these hydrocarbons in the marine environment was simulated using a mass-balance compartment approach in which specific states of the oil and relevant environmental media were considered. At each time step following the hydrocarbon release, the model updated physical properties such as the density and viscosity of the spilled mixtures. When predicting the fate of the mixture, environmental conditions such as wind speed and wave height were taken into account to determine whether droplets of the spilled product remained entrained in the water column or if they resurfaced and possibly emulsified. Two hypothetical spill scenarios were investigated based on assumed spill volumes, assumed product compositions representing a distilled product and crude oil, and assumed environmental and meteorological conditions. The key outputs of the model were the dissolved concentrations of toxicologically relevant hydrocarbon compounds and fractions in the water

  19. Modelling the fate of the Tijuana River discharge plume

    Science.gov (United States)

    van Ormondt, M.; Terrill, E.; Hibler, L. F.; van Dongeren, A. R.

    2010-12-01

    After rainfall events, the Tijuana River discharges excess runoff into the ocean in a highly turbid plume. The runoff waters contain large suspended solids concentrations, as well as high levels of toxic contaminants, bacteria, and hepatitis and enteroviruses. Public health hazards posed by the effluent often result in beach closures for several kilometers northward along the U.S. shoreline. A Delft3D model has been set up to predict the fate of the Tijuana River plume. The model takes into account the effects of tides, wind, waves, salinity, and temperature stratification. Heat exchange with the atmosphere is also included. The model consists of a relatively coarse outer domain and a high-resolution surf zone domain that are coupled with Domain Decomposition. The offshore boundary conditions are obtained from the larger NCOM SoCal model (operated by the US Navy) that spans the entire Southern California Bight. A number of discharge events are investigated, in which model results are validated against a wide range of field measurements in the San Diego Bight. These include HF Radar surface currents, REMUS tracks, drifter deployments, satellite imagery, as well as current and temperature profile measurements at a number of locations. The model is able to reproduce the observed current and temperature patterns reasonably well. Under calm conditions, the model results suggest that the hydrodynamics in the San Diego Bight are largely governed by internal waves. During rainfall events, which are typically accompanied by strong winds and high waves, wind and wave driven currents become dominant. An analysis will be made of what conditions determine the trapping and mixing of the plume inside the surfzone and/or the propagation of the plume through the breakers and onto the coastal shelf. The model is now also running in operational mode. Three day forecasts are made every 24 hours. This study was funded by the Office of Naval Research.

  20. Overview of research and development in subsurface fate and transport modeling

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, T.M. [Brookhaven National Lab., Upton, NY (United States); Chehata, M. [Science Applications Internationa Corp. (United States)

    1995-05-01

    The US Department of Energy is responsible for the remediation of over 450 different subsurface-contaminated sites. Contaminant plumes at these sites range in volume from several to millions of cubic yards. The concentration of contaminants also ranges over several orders of magnitude. Contaminants include hazardous wastes such as heavy metals and organic chemicals, radioactive waste including tritium, uranium, and thorium, and mixed waste, which is a combination of hazardous and radioactive wastes. The physical form of the contaminants includes solutes, nonaqueous phase liquids (NAPLs), and vapor phase contaminants such as volatilized organic chemicals and radon. The subject of contaminant fate and transport modeling is multi-disciplinary, involving hydrology, geology, microbiology, chemistry, applied mathematics, computer science, and other areas of expertise. It is an issue of great significance in the United States and around the world. As such, many organizations have substantial programs in this area. In gathering data to prepare this report, a survey was performed of research and development work that is funded by US government agencies to improve the understanding and mechanistic modeling of processes that control contaminant movement through subsurface systems. Government agencies which fund programs that contain fate and transport modeling components include the Environmental Protection Agency, Nuclear Regulatory Commission, Department of Agriculture, Department of Energy, National Science Foundation, Department of Defense, United States Geological Survey, and National Institutes of Health.

  1. Overview of research and development in subsurface fate and transport modeling

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, T.M. [Brookhaven National Lab., Upton, NY (United States); Chehata, M. [Science Applications Internationa Corp. (United States)

    1995-05-01

    The US Department of Energy is responsible for the remediation of over 450 different subsurface-contaminated sites. Contaminant plumes at these sites range in volume from several to millions of cubic yards. The concentration of contaminants also ranges over several orders of magnitude. Contaminants include hazardous wastes such as heavy metals and organic chemicals, radioactive waste including tritium, uranium, and thorium, and mixed waste, which is a combination of hazardous and radioactive wastes. The physical form of the contaminants includes solutes, nonaqueous phase liquids (NAPLs), and vapor phase contaminants such as volatilized organic chemicals and radon. The subject of contaminant fate and transport modeling is multi-disciplinary, involving hydrology, geology, microbiology, chemistry, applied mathematics, computer science, and other areas of expertise. It is an issue of great significance in the United States and around the world. As such, many organizations have substantial programs in this area. In gathering data to prepare this report, a survey was performed of research and development work that is funded by US government agencies to improve the understanding and mechanistic modeling of processes that control contaminant movement through subsurface systems. Government agencies which fund programs that contain fate and transport modeling components include the Environmental Protection Agency, Nuclear Regulatory Commission, Department of Agriculture, Department of Energy, National Science Foundation, Department of Defense, United States Geological Survey, and National Institutes of Health.

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

    Science.gov (United States)

    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

  3. Environmental Fate Data Base (ENVIROFATE): data pointer file (DATALOG), February 1987. Data file

    Energy Technology Data Exchange (ETDEWEB)

    Boethling, R.

    1987-02-01

    DATALOG is a bibliographic pointer file of environmental fate data and each record contains a chemical CAS registry number (9 bytes), one of 18 data types (9 bytes), and a reference number (6 bytes) to the full citation in the XREF file. The data types identify physical properties, degradation and transport studies, and food, occupational and ambient monitoring data. The file should be used with CASLST (in order to link the chemical name and formula) and XREF (in order to link the full reference citation). A list of possible data types and their abbreviations are: Adsorption (ADSORP), Bioconcentration (BIOCON), Biodegradation (BIODEG), Dissociation constant (DISS CON), Ecosystem (ECOS), Effluent concentrations (EFFL), Evaporation from water (EVAP), Food and crop concentrations (FOOD), Field studies (FIELD), Henry's Law constant (HENRY CON), Hydrolysis (HYDROL), Monitoring (MONIT), Occupational concentrations (OCCUP), Octanol/water partition coefficient (O/W PART), Photoxidation (PHOTOOXID), UV Spectra (UV), Vapor pressure (UP) and Water solubility (WATER SOL).

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

    Science.gov (United States)

    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.

  5. Anaerobic microbial transformation of halogenated aromatics and fate prediction using electron density modeling.

    Science.gov (United States)

    Cooper, Myriel; Wagner, Anke; Wondrousch, Dominik; Sonntag, Frank; Sonnabend, Andrei; Brehm, Martin; Schüürmann, Gerrit; Adrian, Lorenz

    2015-05-19

    Halogenated homo- and heterocyclic aromatics including disinfectants, pesticides and pharmaceuticals raise concern as persistent and toxic contaminants with often unknown fate. Remediation strategies and natural attenuation in anaerobic environments often build on microbial reductive dehalogenation. Here we describe the transformation of halogenated anilines, benzonitriles, phenols, methoxylated, or hydroxylated benzoic acids, pyridines, thiophenes, furoic acids, and benzenes by Dehalococcoides mccartyi strain CBDB1 and environmental fate modeling of the dehalogenation pathways. The compounds were chosen based on structural considerations to investigate the influence of functional groups present in a multitude of commercially used halogenated aromatics. Experimentally obtained growth yields were 0.1 to 5 × 10(14) cells mol(-1) of halogen released (corresponding to 0.3-15.3 g protein mol(-1) halogen), and specific enzyme activities ranged from 4.5 to 87.4 nkat mg(-1) protein. Chlorinated electron-poor pyridines were not dechlorinated in contrast to electron-rich thiophenes. Three different partial charge models demonstrated that the regioselective removal of halogens is governed by the least negative partial charge of the halogen. Microbial reaction pathways combined with computational chemistry and pertinent literature findings on Co(I) chemistry suggest that halide expulsion during reductive dehalogenation is initiated through single electron transfer from B12Co(I) to the apical halogen site.

  6. Aquatic pathways model to predict the fate of phenolic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Aaberg, R.L.; Peloquin, R.A.; Strenge, D.L.; Mellinger, P.J.

    1983-04-01

    Organic materials released from energy-related activities could affect human health and the environment. To better assess possible impacts, we developed a model to predict the fate of spills or discharges of pollutants into flowing or static bodies of fresh water. A computer code, Aquatic Pathways Model (APM), was written to implement the model. The computer programs use compartmental analysis to simulate aquatic ecosystems. The APM estimates the concentrations of chemicals in fish tissue, water and sediment, and is therefore useful for assessing exposure to humans through aquatic pathways. The APM will consider any aquatic pathway for which the user has transport data. Additionally, APM will estimate transport rates from physical and chemical properties of chemicals between several key compartments. The major pathways considered are biodegradation, fish and sediment uptake, photolysis, and evaporation. The model has been implemented with parameters for distribution of phenols, an important class of compounds found in the water-soluble fractions of coal liquids. Current modeling efforts show that, in comparison with many pesticides and polyaromatic hydrocarbons (PAH), the lighter phenolics (the cresols) are not persistent in the environment. The properties of heavier molecular weight phenolics (indanols, naphthols) are not well enough understood at this time to make similar judgements. For the twelve phenolics studied, biodegradation appears to be the major pathway for elimination from aquatic environments. A pond system simulation (using APM) of a spill of solvent refined coal (SRC-II) materials indicates that phenol, cresols, and other single cyclic phenolics are degraded to 16 to 25 percent of their original concentrations within 30 hours. Adsorption of these compounds into sediments and accumulation by fish was minor.

  7. Dynamic modeling of chemical fate and transport in multimedia environments at watershed scale-I: theoretical considerations and model implementation.

    Science.gov (United States)

    Luo, Yuzhou; Gao, Qiong; Yang, Xiusheng

    2007-04-01

    A geo-referenced environmental fate model was developed for analyzing unsteady-state dispersion and distribution of chemicals in multimedia environmental systems. Chemical transport processes were formulated in seven environmental compartments of air, canopy, surface soil, root-zone soil, vadose-zone soil, surface water, and sediment. The model assumed that the compartments were completely mixed and chemical equilibrium was established instantaneously between the sub-compartments within each compartment. A fugacity approach was utilized to formulate the mechanisms of diffusion, advection, physical interfacial transport, and transformation reactions. The governing equations of chemical mass balances in the environmental compartments were solved simultaneously to reflect the interactions between the compartments. A geographic information system (GIS) database and geospatial analysis were integrated into the chemical transport simulation to provide spatially explicit estimations of model parameters at watershed scale. Temporal variations of the environmental properties and source emissions were also considered in the parameter estimations. The outputs of the model included time-dependent chemical concentrations in each compartment and its sub-compartments, and inter-media mass fluxes between adjacent compartments at daily time steps.

  8. A novel modeling tool with multi-stressor functionality for organic contaminant transport and fate in the Baltic Sea

    Energy Technology Data Exchange (ETDEWEB)

    Undeman, E., E-mail: emma.undeman@itm.su.se [Baltic Nest Institute, Baltic Sea Centre, Stockholm University, 10691 Stockholm (Sweden); Department of Applied Environmental Science, Stockholm University, 11418 Stockholm (Sweden); Gustafsson, E., E-mail: erik.gustafsson@su.se [Baltic Nest Institute, Baltic Sea Centre, Stockholm University, 10691 Stockholm (Sweden); Gustafsson, B.G., E-mail: bo.gustafsson@su.se [Baltic Nest Institute, Baltic Sea Centre, Stockholm University, 10691 Stockholm (Sweden)

    2014-11-01

    The coupled physical–biogeochemical model BALTSEM, previously used to assess nutrient/carbon cycles and eutrophication in the Baltic Sea, has been expanded to include algorithms for calculations of organic contaminant environmental transport and fate. This novel model version (BALTSEM-POP) is evaluated for polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and hexachlorobenzene (HCB) in Baltic Sea surface water and sediment. Modeled dissolved concentrations are usually within a factor of 2–4 of observed concentrations, however with larger deviations for furans. Calculated concentrations in particulate organic matter are less accurate (within factors of 1–700), likely due to errors in estimated pelagic biomass, particulate matter–water partitioning, and large natural variability in field data. Concentrations in sediments are usually predicted within a factor of 6. The good performance of the model illustrates its usefulness for exploration of contaminant fate in response to variations in nutrient input and climatic conditions in the Baltic Sea marine environment. - Highlights: • A new model for organic chemical transport and fate in the Baltic Sea is presented. • Physical and biogeochemical processes are linked to organic contaminant transport. • The model is evaluated for PCBs, HCB and PCDD/Fs. • The model can predict dissolved concentrations within a factor of ca 2–4. • Predictions for concentrations in particulate matter and sediment are less accurate.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  11. Uncertainty quantification for environmental models

    Science.gov (United States)

    Hill, Mary C.; Lu, Dan; Kavetski, Dmitri; Clark, Martyn P.; Ye, Ming

    2012-01-01

    Environmental models are used to evaluate the fate of fertilizers in agricultural settings (including soil denitrification), the degradation of hydrocarbons at spill sites, and water supply for people and ecosystems in small to large basins and cities—to mention but a few applications of these models. They also play a role in understanding and diagnosing potential environmental impacts of global climate change. The models are typically mildly to extremely nonlinear. The persistent demand for enhanced dynamics and resolution to improve model realism [17] means that lengthy individual model execution times will remain common, notwithstanding continued enhancements in computer power. In addition, high-dimensional parameter spaces are often defined, which increases the number of model runs required to quantify uncertainty [2]. Some environmental modeling projects have access to extensive funding and computational resources; many do not. The many recent studies of uncertainty quantification in environmental model predictions have focused on uncertainties related to data error and sparsity of data, expert judgment expressed mathematically through prior information, poorly known parameter values, and model structure (see, for example, [1,7,9,10,13,18]). Approaches for quantifying uncertainty include frequentist (potentially with prior information [7,9]), Bayesian [13,18,19], and likelihood-based. A few of the numerous methods, including some sensitivity and inverse methods with consequences for understanding and quantifying uncertainty, are as follows: Bayesian hierarchical modeling and Bayesian model averaging; single-objective optimization with error-based weighting [7] and multi-objective optimization [3]; methods based on local derivatives [2,7,10]; screening methods like OAT (one at a time) and the method of Morris [14]; FAST (Fourier amplitude sensitivity testing) [14]; the Sobol' method [14]; randomized maximum likelihood [10]; Markov chain Monte Carlo (MCMC) [10

  12. Spatiotemporal differences in nitrogen fate and transport with application of NCDC and WRF precipitation data in the SWAT watershed model

    Science.gov (United States)

    Gabriel, M. C.; Knightes, C. D.; Cooter, E. J.; Dennis, R. L.

    2011-12-01

    Watershed fate and transport models are widely used within the US Environmental Protection Agency's (USEPA) Office of Research and Development (ORD) as tools to forecast ecosystem services and evaluate future scenarios associated with land use, climate change and emissions regulation. A critical step in applying fate and transport models is understanding model sensitivity and function, particularly as new and innovative methods become available to apply forcing function data, e.g. precipitation data. Currently, multiple precipitation data sources are available for use in watershed modeling, two of which include National Climactic Data Center (NCDC) and Weather Research and Forecasting (WRF) data. As there are clear distinctions in how precipitation is determined for these precipitation sources (gauge vs. model simulated), there can also exist significant differences in precipitation frequency on a site-by-site basis. These differences may translate to large contrasts in nitrogen transport due to the sensitivity of surface biogeochemical processes to precipitation characteristics, namely those influenced by soil moisture content. The objective of this study is to investigate potential differences in the fate and transport of reactive nitrogen for two watersheds in the Neuse Basin, North Carolina, USA, after separately applying NCDC and WRF precipitation data sources into the Soil and Water Assessment Tool (SWAT) watershed model. The spatiotemporal variation of several nitrogen transport processes will be compared, e.g. reactive nitrogen fixation, plant uptake, overland delivery to streams, denitrification. Results from this research will advance exposure science by providing a greater understanding of the operation and function of watershed fate and transport models, which are primary tools used to assess ecosystem exposure.

  13. Pilot estuarine mesocosm study on the environmental fate of Silver nanomaterials leached from consumer products.

    Science.gov (United States)

    Cleveland, Danielle; Long, Stephen E; Pennington, Paul L; Cooper, Emily; Fulton, Michael H; Scott, Geoffrey I; Brewer, Timothy; Davis, Jeff; Petersen, Elijah J; Wood, Laura

    2012-04-01

    Although nanosilver consumer products (CPs) enjoy widespread availability, the environmental fate, leaching, and bioaccumulation behaviors of silver nanoparticles (AgNPs) from these products are not well understood. In this work, three nanosilver CPs, two AgNP standards, and an ionic silver (Ag(+)) standard were studied in estuarine mesocosms. The CPs exhibited long-term release of significant amounts of silver over a 60d residence time in the mesocosms, and ultimately released 82 - 99% of their total silver loads. Measurements of total silver as a function of time, by inductively coupled plasma mass spectrometry (ICP-MS), indicated that the silver was transferred from the water column and accumulated in the estuarine biota, including hard clams, grass shrimp, mud snails, cordgrass stalks and leaves, biofilms, intertidal sediment, and sand. The ICP-MS results and calculations of bioconcentration and trophic transfer factors indicated that significant amounts of silver were taken up by the organisms through trophic transfer. Silver was also adsorbed from the seawater into the biofilms, sediment, and sand, and from the sand into the clams.

  14. Influence of dissolved organic matter on the environmental fate of metals, nanoparticles, and colloids

    Science.gov (United States)

    Aiken, George R.; Hsu-Kim, Heileen; Ryan, Joseph N.

    2011-01-01

    We have known for decades that dissolved organic matter (DOM) plays a critical role in the biogeochemical cycling of trace metals and the mobility of colloidal particles in aquatic environments. In recent years, concerns about the ecological and human health effects of metal-based engineered nanoparticles released into natural waters have increased efforts to better define the nature of DOM interactions with metals and surfaces. Nanomaterials exhibit unique properties and enhanced reactivities that are not apparent in larger materials of the same composition1,2 or dissolved ions of metals that comprise the nanoparticles. These nanoparticle-specific properties generally result from the relatively large proportion of the atoms located at the surface, which leads to very high specific surface areas and a high proportion of crystal lattice imperfections relative to exposed surface area. Nanoscale colloids are ubiquitous in nature,2 and many engineered nanomaterials have analogs in the natural world. The properties of these materials, whether natural or manmade, are poorly understood, and new challenges have been presented in assessing their environmental fate. These challenges are particularly relevant in aquatic environments where interactions with DOM are key, albeit often overlooked, moderators of reactivity at the molecular and nanocolloidal scales.

  15. The fate of cyanide in leach wastes at gold mines: an environmental perspective

    Science.gov (United States)

    Johnson, Craig A.

    2015-01-01

    This paper reviews the basic chemistry of cyanide, methods by which cyanide can be analyzed, and aspects of cyanide behavior that are most relevant to environmental considerations at mineral processing operations associated with gold mines. The emphasis is on research results reported since 1999 and on data gathered for a series of U.S. Geological Survey studies that began in the late 1990s. Cyanide is added to process solutions as the CN− anion, but ore leaching produces numerous other cyanide-containing and cyanide-related species in addition to the desired cyanocomplex of gold. These can include hydrogen cyanide (HCN); cyanometallic complexes of iron, copper, zinc, nickel, and many other metals; cyanate (CNO−); and thiocyanate (SCN−). The fate of these species in solid wastes and residual process solutions that remain once gold recovery activities are terminated and in any water that moves beyond the ore processing facility dictates the degree to which cyanide poses a risk to aquatic organisms and aquatic-dependent organisms in the local environment.

  16. When nanoparticles meet biofilms - Interactions guiding the environmental fate and accumulation of nanoparticles

    Directory of Open Access Journals (Sweden)

    Kaoru eIkuma

    2015-06-01

    Full Text Available Bacteria are essential components of all natural and many engineered systems. The most active fractions of bacteria are now recognized to occur as ‘biofilms’, where cells are attached and surrounded by a secreted matrix of sticky extracellular polymeric substances (EPS. Recent investigations have established that significant accumulation of nanoparticles (NPs occurs in aquatic biofilms. These studies point to the emerging roles of biofilms for influencing partitioning and possibly transformations of NPs in both natural and engineered systems. While attached biofilms are efficient sponges for NPs, efforts to elucidate the fundamental mechanisms guiding interactions between NPs and biofilms have just begun. In this mini review, special attention is focused on NP-biofilm interactions within the aquatic environment. We highlight key physical, chemical and biological processes that affect interactions and accumulation of NPs by bacterial biofilms. We posit that these biofilm processes present the likely possibility for unique biological and chemical transformations of NPs. Ultimately, the environmental fate of NPs is influenced by biofilms, and therefore requires a more-in depth understanding of their fundamental properties.

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

    Energy Technology Data Exchange (ETDEWEB)

    Buckley, R.; Hunter, C.; Werth, D.; Chen, K.; Whiteside, M.; Mazzola, C.

    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 provide 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.

  18. Environmental properties of long chain alcohols. Part 1: Physicochemical, environmental fate and acute aquatic toxicity properties

    DEFF Research Database (Denmark)

    Fisk, Peter; Sanderson, Hans; Wildey, Ross

    2009-01-01

    This paper summarises the physicochemical, biodegradation and acute aquatic ecotoxicity properties of long chain aliphatic alcohols. Properties of pure compounds are shown to follow somewhat predictable trends, which are amenable to estimation by quantitative structure-activity relationships ((Q...... possible bioaccumulation potential, available data suggest that these substances are not as bioaccumulative as estimations would predict. For acute aquatic toxicity, solubility limits the possibility of effects being appropriately observed and become increasingly challenging above C12. Further, a model has...... been developed for multi-component mixtures which give an excellent account of aquatic ecotoxicity allowing for the prediction of acute effects of un-tested mixtures. © 2008 Elsevier Inc. All rights reserved....

  19. Simplified fate modelling in respect to ecotoxicological and human toxicological characterisation of emissions of chemical compounds

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    of the data demand associated with characterisation of chemical emissions in LCIA and ERA.Based on a USEtox™ characterisation factor set consisting of 3,073 data records, multi-dimensional bilinear models for emission compartment specific fate characterisation of chemical emissions were derived by application...... of Partial Least Squares Regression. Two sets of meta-models were derived having 63% and 75% of the minimum data demand of the full USEtox™ characterisation model. The meta-models were derived by grouping the dependent variables, the fate factors obtained from the USEtox™ data set and then selecting...... of the range during validation. In general, the more data-demanding approach yielded the largest regression coefficients.The applied statistical approach illustrates that it is possible to derive meta-models from full fate and exposure models and that it is also possible to tailor the data demand of these meta...

  20. Novel flame retardants: Estimating the physical-chemical properties and environmental fate of 94 halogenated and organophosphate PBDE replacements.

    Science.gov (United States)

    Zhang, Xianming; Sühring, Roxana; Serodio, Daniela; Bonnell, Mark; Sundin, Nils; Diamond, Miriam L

    2016-02-01

    In the wake of the listing by the Stockholm Convention of PBDEs, an increasing number of "novel" flame retardants (NFRs) are being used in products. The properties that make for desirable flame retardants can also lead to negative health effects, long environmental residence times and an affinity for organic matrices. While NFRs are currently in use, little information is available regarding their physical-chemical properties and environmental fate. In this study, 94 halogenated and organophosphate NFRs were evaluated for their persistence and long-range transport potential. Physical-chemical properties (namely liquid sub-cooled vapor pressure P(l) and solubility S(l), air-water (K(AW)), octanol-water (K(OW)), and octanol-air (K(OA)) partition coefficients) of the NFRs were predicted using three chemical property estimation tools: EPI Suite, SPARC and Absolv. Physical-chemical properties predicted using these tools were generally within 10(2)-10(3) for compounds with molecular weight physical-chemical properties of compounds with >800 g/mol, and/or the presence of a heteroatom and/or a polar functional group could deviate by up to 10(12). According to the OECD P(OV) and LRTP Screening Tool, up to 40% of the NFRs have a persistence and/or long range transport potential of medium to high level of concern and up to 60% have persistence and or long range transport potential similar to the PBDEs they are replacing. Long range transport potential could be underestimated by the OECD model since the model under-predicts long range transport potential of some organophosphate compounds.

  1. Press or pulse exposures determine the environmental fate of cerium nanoparticles in stream mesocosms.

    Science.gov (United States)

    Baker, Leanne F; King, Ryan S; Unrine, Jason M; Castellon, Benjamin T; Lowry, Gregory V; Matson, Cole W

    2016-05-01

    Risk-assessment models indicate that stream ecosystems receiving municipal wastewater effluent may have the greatest potential for exposure to manufactured nanoparticles. The authors determined the fate of cerium oxide (CeO2 ) nanoparticles in outdoor stream mesocosms using 1) 1-time pulse addition of CeO2 nanoparticles, representative of accidental release, and 2) continuous, low-level press addition of CeO2 nanoparticles, representative of exposure via wastewater effluent. The pulse addition led to rapid nanoparticle floc formation, which appeared to preferentially deposit on periphyton in low-energy areas downstream from the location of the input, likely as a result of gravitational sedimentation. Floc formation limited the concentration of suspended nanoparticles in stream water to press addition of nanoparticles led to higher suspended nanoparticle concentrations (77% of target) in stream water, possibly as a result of stabilization of suspended nanoparticles through interaction with dissolved organic carbon. Smaller nanoparticle aggregates appeared to preferentially adsorb to stream surfaces in turbulent sections, where Ce concentrations were highest in the press, likely a result of stochastic encounter with the surface. Streams receiving wastewater effluent containing nanoparticles may lead to exposure of aquatic organisms over a greater spatial extent than a similar amount of nanoparticles from an accidental release. Exposure models must take into account these mechanisms controlling transport and depositional processes.

  2. Streamtube Fate and Transport Modeling of the Source Term for the Old Radioactive Waste

    Energy Technology Data Exchange (ETDEWEB)

    Brewer, K.

    2000-11-16

    The modeling described in this report is an extension of previous fate and transport modeling for the Old Radioactive Waste Burial Ground Corrective Measures Study/Feasibility Study. The purpose of this and the previous modeling is to provide quantitative input to the screening of remedial alternatives for the CMS/FS for this site.

  3. Assessment of the environmental fate of cycloxaprid in flooded and anaerobic soils by radioisotopic tracing

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xuanqi; Xu, Xiaoyong; Li, Chao [Shanghai Key Laboratory of Chemical Biology, School of Pharmacy, East China, University of Science and Technology, Shanghai 200237 (China); Zhang, Hanxue; Fu, Qiuguo [Institute of Nuclear Agricultural Sciences, Zhejiang University, Hangzhou 310029 (China); Shao, Xusheng [Shanghai Key Laboratory of Chemical Biology, School of Pharmacy, East China, University of Science and Technology, Shanghai 200237 (China); Ye, Qingfu, E-mail: qfye@zju.edu.cn [Institute of Nuclear Agricultural Sciences, Zhejiang University, Hangzhou 310029 (China); Li, Zhong, E-mail: lizhong@ecust.edu.cn [Shanghai Key Laboratory of Chemical Biology, School of Pharmacy, East China, University of Science and Technology, Shanghai 200237 (China)

    2016-02-01

    Cycloxaprid (CYC) is a novel broad-spectrum neonicotinoid insecticide that has been developed for agricultural pest control. The fate of the {sup 14}C-labeled racemic and enantio-pure CYC isomers in flooded and anaerobic soil was investigated using radioisotope tracing techniques. After 100 d of incubation, only a minor portion (< 1%) of the applied CYC isomers is mineralized by each of the four tested soil types. The fraction of initially applied radioactive CYC dissipated into the bound or non-extractable residues (BR) increases with increase in the length of the incubation period, reaching up to 53.0–81.6%. The dissipation of the CYC through mineralization or formation of BR is strongly influenced by soil properties, such as humic content, pH value, and retained microbial activity. Amongst the soils studied, the fluvio-marine yellow loamy soil displayed the highest tendency to mineralize CYC while the coastal saline soil exhibited the strongest tendency to form BR. The observation that the water phase retained the large portion(> 60%) of the radioactivity attributed to the total extractable residue suggested that under the experimental condition, the initially applied {sup 14}C-labeled CYC residues were readily available for leaching or offsite transport. Additionally, no enantiomer-specific behaviors are observed. The results from this study provide a framework for assessing the environmental impact resulting from the use of this pesticide. - Highlights: • Only a minor portion (<1%) of the applied CYC was mineralized. • The bound residue increased over time, reaching up to 53.0-81.6%. • CYC residues were readily available for leaching. • No enantiomer-specific behaviors were observed.

  4. Environmental fate and transport of nitroglycerin from propellant residues at firing positions in the unsaturated zone

    Energy Technology Data Exchange (ETDEWEB)

    Bellavance-Godin, A. [Institut National de la Recherche Scientifique, Quebec, PQ (Canada). Eau, Terre et Environnement; Martel, R. [Institut National de la Recherche Scientifique, Varennes, PQ (Canada). Eau, Terre et Environnement, Earth Sciences

    2008-07-01

    In response to environmental concerns, the Canadian Forces Base (CFB) have initiated studies to better evaluate the impact of various military activities. This paper presented the results of a study in which the fate of propellant residues on large soil columns was investigated. The sites selected for the study were the antitank ranges at Garrison Valcartier, Quebec and those at the CFB Petawawa, Ontario. The shoulder rockets fired on those ranges were propelled by solid propellants based on a nitrocellulose matrix in which nitroglycerine and ammonium perchlorate were dispersed as oxidizer and energetic materials. Propellant residues accumulated in the surface soils because the combustion processes in the rockets was incomplete. This study evaluated the contaminants transport through the unsaturated zone. Sampling was conducted in 2 steps. The first involved collecting uncontaminated soil samples representative of the geological formations of the 2 sites. The second step involved collecting soils containing high levels of propellant residues behind antitank firing positions, which was later spread across the surface of the uncontaminated soil columns and which were representative of the contaminated zone. The soils were watered in the laboratory following the precipitation patterns of the respective regions and interstitial water output of the columns was also sampled. The compounds of interest were nitroglycerine and its degradation metabolites, dinitroglycerine, mononitroglycerine and nitrates as well as perchlorate and bromides. Results presented high concentrations of nitrites, nitrates and perchlorates. Both the NG and its degradation products were monitored using a newly developed analytical method that provides for a better understanding of NG degradation pathways in anaerobic conditions. 12 refs., 3 tabs., 12 figs.

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

    Energy Technology Data Exchange (ETDEWEB)

    Macleod, M.; Waldow, H. von; Tay, P.; Armitage, J. M.; Wohrnschimmel, H.; Riley, W.; McKone, T. E.; Hungerbuhler, K.

    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).

  6. A Multimedia Fate Model to Support Chemical Management in China: A Case Study for Selected Trace Organics.

    Science.gov (United States)

    Zhu, Ying; Price, Oliver R; Kilgallon, John; Rendal, Cecilie; Tao, Shu; Jones, Kevin C; Sweetman, Andrew J

    2016-07-05

    SESAMe v3.3, a spatially explicit multimedia fate model for China, is a tool suggested to support quantitative risk assessment for national scale chemical management. The key advantage over the previous version SESAMe v3.0 is consideration of spatially varied environmental pH. We evaluate the model performance using estimates of emission from total industry usage of three UV filters (benzophenone-3, octocrylene, and octyl methoxycinnamate) and three antimicrobials (triclosan, triclocarban, and climbazole). The model generally performs well for the six case study chemicals as shown by the comparison between predictions and measurements. The importance of accounting for chemical ionization is demonstrated with the fate and partitioning of both triclosan and climbazole sensitivity to environmental pH. The model predicts ionizable chemicals (triclosan, climbazole, benzophenone-3) to primarily partition into soils at steady state, despite hypothetically only being released to freshwaters, as a result of agricultural irrigation by freshwater. However, further model calibration is needed when more field data becomes available for soils and sediments and for larger areas of water. As an example, accounting for the effect of pH in the environmental risk assessment of triclosan, limited freshwater areas (0.03% or ca. 55 km(2)) in mainland China are modeled to exceed its conservative environmental no-effect threshold. SESAMe v3.3 can be used to support the development of chemical risk assessment methodologies with the spatial aspects of the model providing a guide to the identification regions of interest in which to focus monitoring campaigns or develop a refined risk assessment.

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

    Science.gov (United States)

    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.

  8. The role of direct photolysis and indirect photochemistry in the environmental fate of ethylhexyl methoxy cinnamate (EHMC) in surface waters.

    Science.gov (United States)

    Vione, D; Calza, P; Galli, F; Fabbri, D; Santoro, V; Medana, C

    2015-12-15

    The aquatic environmental fate of ethylhexyl methoxy cinnamate (EHMC), one of the most used UVB filters worldwide, was studied by assessing its environmental persistence and photoinduced transformations. The role of direct and indirect photolysis was evaluated. Direct photolysis was shown to play a key role, and this process is expected to be the main attenuation route of EHMC in sunlit surface waters. In contrast, the reaction with OH radicals would be negligible and that with (3)CDOM* would at most be a secondary process. The measurement of the quantum yield of direct photolysis and of the rate constants of reaction with photogenerated transient species (or, sometimes, the use of reasonable values for the latter) allowed the prediction of the EHMC half-life time in surface waters, by means of a validated photochemical model. The predicted EHMC lifetime is of the order of hours to a few days in fair-weather summertime, and the main factors controlling the EHMC phototransformation in sunlit surface waters would be the water depth and the dissolved organic carbon (DOC) content. The formation of transformation products (TPs) was followed as well via HPLC/HRMS. Three TPs were detected in the samples exposed to UVA radiation, while one additional TP was detected in the samples exposed to UVB radiation. The detected TPs comprised 4-methoxybenzaldehyde, a hydroxylated derivative and dimeric species. Through the use of heterogeneous photocatalysis with TiO2, seven additional TPs were identified, most of them resulting from the further degradation of primary TPs formed through direct photolysis and that might be detected in aquatic systems as well. The photodegradation of EHMC in the presence of TiO2 yielded more toxic TPs than the parent compound (as determined with the Vibrio fischeri Microtox assay). The increased toxicity is partially accounted for by the formation of 4-methoxybenzaldehyde.

  9. Long-term environmental fate of perfluorinated compounds after accidental release at Toronto airport.

    Science.gov (United States)

    Awad, Emily; Zhang, Xianming; Bhavsar, Satyendra P; Petro, Steve; Crozier, Patrick W; Reiner, Eric J; Fletcher, Rachael; Tittlemier, Sheryl A; Braekevelt, Eric

    2011-10-01

    Perfluorooctane sulfonate (PFOS; a perfluorinated compound or PFC), its salts, and perfluorooctane sulfonyl fluoride have recently been listed in Annex B of the Stockholm Convention due to their widespread presence, persistence, and toxicity. Because of the persistent nature of PFCs, it is generally presumed that the impact of direct discharges of these chemicals on a receiving environment would be long-lasting. However, long-term environmental fate studies based on field measurements are rare. We examined spatial and long-term (9 year) temporal trends of PFCs in water, sediment, fish, and fish liver collected in 2003, 2006, and 2009 from 10 locations spanning ∼20 km in Etobicoke and Spring Creeks, where an accidental release of fire fighting foam containing PFOS from nearby Toronto International Airport occurred in 2000. Even a decade after the spill, sediment PFOS concentrations are still elevated in Spring Creek Pond which received the foam discharge; however, the major impact is relatively localized likely due to the stormwater management nature of the pond and the diluting effect of Etobicoke Creek. Fish and fish liver PFOS concentrations at a Spring Creek location downstream of Spring Creek Pond declined by about 70 and 85%, respectively, between 2003 and 2009. PFOS in water at locations further downstream in Etobicoke Creek have declined by >99.99% since the spill; however, the 2009 water and fish levels were ∼2-10 times higher than upstream locations likely due to the long-term impact of the spill as well as urbanization. The decrease in the upstream PFOS concentrations likely reflects the reduction of PFOS sources due to phased out production by 3M and regulations on the use of PFOS in fire fighting foams. Field-based sediment/water distribution coefficients (K(D)) and bioaccumulation factors (BAF) were calculated from environmental measurements. Log K(D) values were 0.54-1.65 for perfluoroalkyl sulfonates (PFASs) and 1.00-1.85 for

  10. GLOBOX: A spatially differentiated global fate, intake and effect model for toxicity assessment in LCA.

    Science.gov (United States)

    Wegener Sleeswijk, Anneke; Heijungs, Reinout

    2010-06-15

    GLOBOX is a model for the calculation of spatially differentiated LCA toxicity characterisation factors on a global scale. It can also be used for human and environmental risk assessment. The GLOBOX model contains equations for the calculation of fate, intake and effect factors, and equations for the calculation of LCA characterisation factors for human toxicity and ecotoxicity. The model is differentiated on the level of 239 countries/territories and 50 seas/oceans. Each region has its own set of homogeneous compartments, and the regions are interconnected by atmospheric and aquatic flows. Multimedia transport and degradation calculations are largely based on the EUSES 2.0 multimedia model, and are supplemented by specific equations to account for the advective air and water transport between different countries and/or seas. Metal-specific equations are added to account for speciation in fresh and marine surface water. Distribution parameters for multimedia transport equations are differentiated per country or sea with respect to geographic features, hydrology, and climate. The model has been tested with nitrobenzene as a test chemical, for emissions to all countries in the world. Spatially differentiated characterisation factors turn out to show wide ranges of variation between countries, especially for releases to inland water and soil compartments. Geographic position, distribution of lakes and rivers and variations in environmental temperature and rain rate are decisive parameters for a number of different characterisation factors. Population density and dietary intake play central roles in the variation of characterisation factors for human toxicity. Among the countries that show substantial deviations from average values of the characterisation factors are not only small and remote islands, but also countries with a significant economic production rate, as indicated by their GDPs. It is concluded that spatial differentiation between countries is an important

  11. Environmental and human risk hierarchy of pesticides: A prioritization method, based on monitoring, hazard assessment and environmental fate.

    Science.gov (United States)

    Tsaboula, Aggeliki; Papadakis, Emmanouil-Nikolaos; Vryzas, Zisis; Kotopoulou, Athina; Kintzikoglou, Katerina; Papadopoulou-Mourkidou, Euphemia

    2016-05-01

    A pesticide prioritization approach was developed and implemented in the Pinios River Basin of Central Greece. It takes under consideration the Level of Environmental Risk containing information on the frequency of occurrence of pesticides above environmental thresholds, the intensity of this occurrence and the spatial distribution as well as information about the fate and behavior of pesticides in the environment and the potential to have adverse impact on humans' health. Original 3-year monitoring data from 102 Stationary Sampling Sites located on rivers and their tributaries, reservoirs, streams and irrigation/drainage canals giving rise to a collection of 2382 water samples resulting in 7088 data sets, were included in this integrated prioritization study. Among 302 monitored active ingredients, 119 were detected at least once and the concentrations found in the aquatic systems for 41% of compounds were higher than the respective lowest Predicted Non-Effect Concentration (PNEC) values. Sixteen and 5 pesticides were found with risk ratios (MECmax/PNEC) above 10 (high concern) and 100 (very high concern), respectively. However, pesticides with maximum Measured Environmental Concentration (MECmax) values exceeding by 1000 times the respective lowest PNEC values were also found which were considered of extremely high concern; in the latter group were included prometryn, chlorpyrifos, diazinon, λ-cyhalothrin, cypermethrin, α-cypermethrin deltamethrin, ethalfluralin and phosmet. The sensitivity of the analytical methods used in the monitoring study was considered inadequate to meet the toxicological endpoints for 32 pesticides. The widest distribution of occurrence in the Stationary Sampling Sites of the monitoring program was found for the pesticides, prometryn, fluometuron, terbuthylazine, S-metolachlor, chlorpyrifos, diphenylamine, acetochlor, alachlor, 2,4-D, etridiazole, imidacloprid and lindane (γ-ΗCH). Among the 27 priority pesticides included in the

  12. The fate and behaviour of enhanced natural radioactivity with respect to environmental protection

    Energy Technology Data Exchange (ETDEWEB)

    Michalik, B., E-mail: b.michalik@gig.eu [Laboratory of Radiometry, Central Mining Institute (GIG), Plac Gwarkow 1, 40-166 Katowice (Poland); Brown, J., E-mail: Justin.Brown@nrpa.no [Norwegian Radiation Protection Authority (NRPA), Grini naeringspark 13, 1361 Osteras Norway (Norway); Krajewski, P., E-mail: krajewski@clor.waw.pl [Central Laboratory for Radiological Protection (CLOR), ul. Konwaliowa 7, 03-194 Warszawa Poland (Poland)

    2013-01-15

    In contrast to the monitoring and prevention of occupational radiation risk caused by enhanced natural radioactivity, relatively little attention has been paid to the environmental impact associated with residues containing enhanced activity concentration of naturally occurring radionuclides. Such materials are often deposited directly into the environment, a practice which is strictly forbidden in the management of other types of radioactive waste. In view of the new trends in radiation protection, the need to consider the occurrence of anthropogenically enhanced natural radioactivity as a particular unique case of environmental hazard is quite apparent. Residues containing high activity concentrations of some natural radionuclides differ from radioactive materials arising from the nuclear industry. In addition, the radiation risk is usually combined with the risk caused by other pollutants. As such and to date, there are no precise regulations regarding this matter and moreover, the non-nuclear industry is often not aware of potential environmental problems caused by natural radioactivity. This article discusses aspects of environmental radiation risks caused by anthropogenically enhanced natural radioactivity stored at unauthorised sites. Difficulties and inconclusiveness in the application of recommendations and models for radiation risk assessment are explored. General terms such as 'environmental effects' and the basic parameters necessary to carry out consistent and comparable Environmental Risk Assessment (ERA) have been developed and defined. - Highlights: Black-Right-Pointing-Pointer Features of environmental impact caused by residues containing high activity concentration of natural radionuclides Black-Right-Pointing-Pointer Definition of an effect of radiation on an ecosystem and novel method for its assessment Black-Right-Pointing-Pointer Radiation protection regulation inconclusiveness in the aspects of enhanced natural radioactivity.

  13. The common fate model for dyadic data: variations of a theoretically important but underutilized model.

    Science.gov (United States)

    Ledermann, Thomas; Kenny, David A

    2012-02-01

    Studying dyads, very often there is a theoretical construct that has an effect on both members, such as relationship harmony or shared environment. To model such influences, the common fate model (CFM) is often the most appropriate approach. In this article, we address conceptual and statistical issues in the use of the standard CFM and present a series of variations, all of which are estimated by structural equation modeling (SEM). For indistinguishable dyad members (e.g., gay couples), we describe the use of a multilevel SEM method. Throughout the paper, we draw connections to the actor-partner interdependence model (APIM). We also discuss the analysis of hybrid models that combines both the CFM and the APIM. The models are illustrated using data from heterosexual couples.

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

    Science.gov (United States)

    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...

  15. Calculation of site specific characterisation factors for metal ecotoxicity using decoupled multi species fate and exposure modelling

    DEFF Research Database (Denmark)

    Birkved, Morten; Strandesen, Maria; Larsen, HF

    2004-01-01

    Calculation of characterisation factors (CF’s) for metal ecotoxicity typically involves fate and exposure modelling of metals in multi-media models developed for assessment of organic compounds. Metals do not follow the fate patterns of organic chemicals, and the results will therefore most likel...

  16. Calculation of site specific characterisation factors for metal ecotoxicity using decoupled multi species fate and exposure modelling

    DEFF Research Database (Denmark)

    Birkved, Morten; Strandesen, Maria; Larsen, HF;

    2004-01-01

    Calculation of characterisation factors (CF’s) for metal ecotoxicity typically involves fate and exposure modelling of metals in multi-media models developed for assessment of organic compounds. Metals do not follow the fate patterns of organic chemicals, and the results will therefore most likel...

  17. From consumption to harvest: Environmental fate prediction of excreted ionizable trace organic chemicals

    DEFF Research Database (Denmark)

    Polesel, Fabio; Plósz, Benedek G.; Trapp, Stefan

    2015-01-01

    with freshwater or reclaimed wastewater. Recent research has shown the tendency for these substances to accumulate in food crops. In this study, we developed and applied a simulation tool to predict the fate of three ionizable trace chemicals (triclosan-TCS, furosemide-FUR, ciprofloxacin-CIP) from human...

  18. Estimating the influence of forests on the overall fate of semivolatile organic compounds using a multimedia fate model.

    Science.gov (United States)

    Wania, F; Mclachlan, M S

    2001-02-01

    On the basis of recently reported measurements of semivolatile organic compound (SOC) uptake in forest canopies, simple expressions are derived that allow the inclusion of a canopy compartment into existing non-steady-state multimedia fate models based on the fugacity approach. One such model is used to assess how the inclusion of the canopy compartment in the model affects the calculated overall behavior of SOCs with specific physical--chemical properties. The primary effect of the forest is an increase in the net atmospheric deposition to the terrestrial environment, reducing atmospheric concentrations and accordingly the extent of deposition to the agricultural and aquatic environments. This effect was most pronounced for chemicals with log KOA around 9-10 and log KAW -2 to -3; their average air concentrations during the growing season decreased by a factor of 5 when the canopy compartment was included. Concentration levels in virtually all compartments are decreased at the expense of increased concentrations in the forest soil. The effect of the forest lies not in a large capacity for these chemicals but in the efficiency of pumping the chemicals from the atmosphere to the forest soil, a storage reservoir with high capacity from which the chemicals can return to the atmosphere only with difficulty. Because of seasonal variability of canopy size and atmospheric stability, uptake into forests is higher during spring and summer than in winter. The model suggests that this may dampen temperature-driven seasonal fluctuations of air concentrations and in regions with large deciduous forests may lead to a temporary, yet notable dip in air concentrations during leaf development in spring. A sensitivity analysis revealed a strong effect of forest cover, forest composition, and degradation half-lives. A high degradation loss on the plant surface has the effect of preventing the saturation of the small plant reservoir and can cause very significant reductions in

  19. Building dynamic spatial environmental models

    NARCIS (Netherlands)

    Karssenberg, D.J.

    2003-01-01

    An environmental model is a representation or imitation of complex natural phenomena that can be discerned by human cognitive processes. This thesis deals with the type of environmental models referred to as dynamic spatial environmental models. The word ‘spatial’ refers to the geographic domain whi

  20. An evaluation of the environmental fate and behavior of munitions materiel (TNT, RDX) in soil and plant systems

    Energy Technology Data Exchange (ETDEWEB)

    Cataldo, D.A.; Harvey, S.D.; Fellows, R.J.; Bean, R.M.; McVeety, B.D.

    1989-08-01

    The objective of these investigations was to elucidate the environmental behavior and fate of trinitrotoluene (TNT). Emphasis was placed on those chemical transformations occurring in soils and in plant tissues following uptake and on the probable impact of these chemical transformations on the food chain. Analytical methodology was developed to fractionate and characterize both TNT and TNT-derived residues in soil and plant matrices. The procedures developed in this program extend prior art, through the use of matrix-specific extraction and fractionation schemes followed by classical HPLC separations. Methods showed good recovery and reproducibility. 30 refs., 35 figs., 27 tabs.

  1. Modelling the occurrence, transport and fate of pharmaceuticals in wastewater systems

    DEFF Research Database (Denmark)

    Snip, Laura J.P.; Flores Alsina, Xavier; Plósz, Benedek Gy

    2014-01-01

    This paper demonstrates how occurrence, transport and fate of pharmaceuticals at trace levels can be assessed when modelling wastewater treatment systems using two case studies. Firstly, two approaches based on: 1) phenomenology; and, 2) Markov Chains, are developed to describe the dynamics of ph...

  2. Fate and Transport of Graphene Oxide in Granular Porous Media: Experimental Results and Modeling

    Science.gov (United States)

    Gao, Bin

    2014-05-01

    Although graphene oxide (GO) has been used in many applications to improve human life quality, its environmental fate and behavior are still largely unknown. In this work, a range of laboratory experiments were conducted to explore the aggregation, deposition, and transport mechanisms of GO nano-sheets in porous media under various conditions. Stability experimental data showed that both cation valence and pH showed significant effect on the aggregation of GO sheets. The measured critical coagulation concentrations were in good agreement with the predictions of the extended Schulze-Hardy rule. Sand column experimental results indicated that deposition and transport of GO in porous media were strongly dependent on solution ionic strength. Particularly, GO showed high mobility under low ionic strength conditions in both saturated and unsaturated columns. Increasing ionic strength dramatically increased the retention of GO in porous media, mainly through secondary-minimum deposition. Recovery rates of GO in unsaturated sand columns were lower than that in saturated columns under the same ionic strength conditions, suggesting moisture content also played an important role in the retention of GO in porous media. Findings from the bubble column experiments showed that the GO did not attach to the air-water interface, which is consistent with the XDLVO predictions. Additional retention mechanisms, such as film straining, thus could be responsible to the reduced mobility of GO in unsaturated porous media. The breakthrough curves of GO in saturated and unsaturated columns could be accurately simulated by an advection-dispersion-reaction model.

  3. Fate Model for Organic Chemicals in Sewage Treatment Plants

    DEFF Research Database (Denmark)

    Mikkelsen, J.

    Miljøprojekt, 308; I tilknytning til hovedrapporten Environmental Exposure Assessment of Chemicals (Miljøprojekt, 306) er udgivet i alt 5 tekniske bilagsrapporter, alle i serien Miljøprojekt.......Miljøprojekt, 308; I tilknytning til hovedrapporten Environmental Exposure Assessment of Chemicals (Miljøprojekt, 306) er udgivet i alt 5 tekniske bilagsrapporter, alle i serien Miljøprojekt....

  4. Fugacity based modeling for pollutant fate and transport during floods. Preliminary results

    Science.gov (United States)

    Deda, M.; Fiorini, M.; Massabo, M.; Rudari, R.

    2010-09-01

    Fugacity based modeling for pollutant fate and transport during floods. Preliminary results Miranda Deda, Mattia Fiorini, Marco Massabò, Roberto Rudari One of the concerns that arises during floods is whether the wide-spreading of chemical contamination is associated with the flooding. Many potential sources of toxics releases during floods exists in cities or rural area; hydrocarbons fuel storage system, distribution facilities, commercial chemical storage, sewerage system are only few examples. When inundated homes and vehicles can also be source of toxics contaminants such as gasoline/diesel, detergents and sewage. Hazardous substances released into the environment are transported and dispersed in complex environmental systems that include air, plant, soil, water and sediment. Effective environmental models demand holistic modelling of the transport and transformation of the materials in the multimedia arena. Among these models, fugacity-based models are distribution based models incorporating all environmental compartments and are based on steady-state fluxes of pollutants across compartment interfaces (Mackay "Multimedia Environmental Models" 2001). They satisfy the primary objective of environmental chemistry which is to forecast the concentrations of pollutants in the environments with respect to space and time variables. Multimedia fugacity based-models has been used to assess contaminant distribution at very different spatial and temporal scales. The applications range from contaminant leaching to groundwater, runoff to surface water, partitioning in lakes and streams, distribution at regional and even global scale. We developped a two-dimensional fugacity based model for fate and transport of chemicals during floods. The model has three modules: the first module estimates toxins emission rates during floods; the second modules is the hydrodynamic model that simulates the water flood and the third module simulate the dynamic distribution of chemicals in

  5. A novel modeling tool with multi-stressor functionality for organic contaminant transport and fate in the Baltic Sea.

    Science.gov (United States)

    Undeman, E; Gustafsson, E; Gustafsson, B G

    2014-11-01

    The coupled physical-biogeochemical model BALTSEM, previously used to assess nutrient/carbon cycles and eutrophication in the Baltic Sea, has been expanded to include algorithms for calculations of organic contaminant environmental transport and fate. This novel model version (BALTSEM-POP) is evaluated for polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and hexachlorobenzene (HCB) in Baltic Sea surface water and sediment. Modeled dissolved concentrations are usually within a factor of 2-4 of observed concentrations, however with larger deviations for furans. Calculated concentrations in particulate organic matter are less accurate (within factors of 1-700), likely due to errors in estimated pelagic biomass, particulate matter-water partitioning, and large natural variability in field data. Concentrations in sediments are usually predicted within a factor of 6. The good performance of the model illustrates its usefulness for exploration of contaminant fate in response to variations in nutrient input and climatic conditions in the Baltic Sea marine environment.

  6. Modelling micro-pollutant fate in wastewater collection and treatment systems: status and challenges

    DEFF Research Database (Denmark)

    Plósz, Benedek G.; Benedetti, L.; Daigger, G. T.;

    2013-01-01

    This paper provides a comprehensive summary on modelling of micro-pollutants' (MPs) fate and transport in wastewater. It indicates the motivations of MP modelling and summarises and illustrates the current status. Finally, some recommendations are provided to improve and diffuse the use....... This is crucial, as regional risk assessments and model-based evaluations of pollution discharge from urban areas can potentially be used by decision makers to evaluate effluent quality regulation, and assess upgrading requirements, in the future....... of such models. In brief, we conclude that, in order to predict the contaminant removal in centralised treatment works, considering the dramatic improvement in monitoring and detecting MPs in wastewater, more mechanistic approaches should be used to complement conventional, heuristic and other fate models...

  7. Enantioselective stable isotope analysis (ESIA) — A new concept to evaluate the environmental fate of chiral organic contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Badea, Silviu-Laurentiu, E-mail: badeasilviu@gmail.com [Department of Chemistry, Umeå University, SE-901 87 Umeå (Sweden); Danet, Andrei-Florin [Department of Analytical Chemistry, University of Bucharest, Faculty of Chemistry, 90-92 Panduri Str., Bucharest 050657 (Romania)

    2015-05-01

    Since 2011, the enantiospecific stable carbon isotope analysis (ESIA) has emerged as an innovative technique to assess the environmental fate of chiral emerging compounds by combining in one experimental technique both compound specific isotope analysis (CSIA) and enantioselective analysis. To date, the ESIA was applied for four classes of compounds: α-hexachlorocyclohexane (α-HCH), polar herbicides (phenoxy acids), synthetic polycyclic musk galaxolide (HHCB), and phenoxyalkanoic methyl herbicides. From an analytical point of view there are factors that are hindering the application of ESIA methods for the field samples: (i.e. amounts of target analyte, matrix effects, GC resolution) and overcoming these factors is challenging. While ESIA was shown as a mature technique for the first three abovementioned class of compounds, no isotope analysis of individual enantiomers could be performed for phenoxyalkanoic methyl herbicides. With respect to field studies, one study showed that ESIA might be a promising tool to distinguish between biotic and abiotic transformation pathways of chiral organic contaminants and even to differentiate between their aerobic and anaerobic biotransformation pathways. The development of ESIA methods for new chiral emerging contaminants in combination with development of multi-element isotope analysis will contribute to a better characterization of transformation pathways of chiral organic contaminants. - Highlights: • ESIA is an innovative technique to assess the environmental fate of chiral pollutants • Overcoming the analytical limitations of ESIA is challenging • Development of ESIA methods for new chiral emerging contaminants is needed.

  8. Modelling the fate of oxidisable organic contaminants in groundwater

    DEFF Research Database (Denmark)

    Barry, D.A.; Prommer, H.; Miller, C.T.

    2002-01-01

    Subsurface contamination by organic chemicals is a pervasive environmental problem, susceptible to remediation by natural or enhanced attenuation approaches or more highly engineered methods such as pump-and-treat, amongst others. Such remediation approaches, along with risk assessment or the pre...

  9. Modeling and Simulating Environmental Effects

    OpenAIRE

    Guest, Peter S.; Murphree, Tom; Frederickson, Paul A.; Guest, Arlene A.

    2012-01-01

    MOVES Research & Education Systems Seminar: Presentation; Session 4: Collaborative NWDC/NPS M&S Research; Moderator: Curtis Blais; Modeling and Simulating Environmental Effects; speakers: Peter Guest, Paul Frederickson & Tom Murphree Environmental Effects Group

  10. Development of an integrated model system to simulate transport and fate of oil spills in seas

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    A three-dimensional integrated model is developed for simulating transport and final fate of oil spills in seas.The model contains two main modules,flow and transport-fate modules.The flow module uses an unstructured finite-volume wave-ocean coupling model.Using unstructured meshes provides great flexibility for modeling the flow in complex geometries of tidal creeks,barriers and islands.In the transport-fate module the oil dispersion is solved using a particle-tracking method.Horizontal diffusion is simulated using random walk techniques in a Monte Carlo framework,whereas the vertical diffusion process is solved on the basis of the Langeven equation.The model simulates the most significant processes that affect the motion of oil particles,such as advection,surface spreading,evaporation,dissolution,emulsification and turbulent diffusion as well as the interaction of the oil particles with the shoreline,sedimentation and the temporal variations of oil viscosity,density and surface tension.The model simulates either continuous or instantaneous oil spills,and also other toxic matter.This model has been applied to simulate the oil spill accident in the Bohai Sea.In comparison with the observations,the numerical results indicate that the model is reasonably accurate.

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

    Science.gov (United States)

    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

  12. The role of direct photolysis and indirect photochemistry in the environmental fate of ethylhexyl methoxy cinnamate (EHMC) in surface waters

    Energy Technology Data Exchange (ETDEWEB)

    Vione, D. [Department of Chemistry, University of Torino, via P. Giuria 5, 10125 Torino (Italy); Calza, P., E-mail: paola.calza@unito.it [Department of Chemistry, University of Torino, via P. Giuria 5, 10125 Torino (Italy); Galli, F.; Fabbri, D. [Department of Chemistry, University of Torino, via P. Giuria 5, 10125 Torino (Italy); Santoro, V.; Medana, C. [Department of Molecular Biotechnology and Health Sciences, University of Torino, via P. Giuria 5, 10125 Torino (Italy)

    2015-12-15

    The aquatic environmental fate of ethylhexyl methoxy cinnamate (EHMC), one of the most used UVB filters worldwide, was studied by assessing its environmental persistence and photoinduced transformations. The role of direct and indirect photolysis was evaluated. Direct photolysis was shown to play a key role, and this process is expected to be the main attenuation route of EHMC in sunlit surface waters. In contrast, the reaction with ·OH radicals would be negligible and that with {sup 3}CDOM* would at most be a secondary process. The measurement of the quantum yield of direct photolysis and of the rate constants of reaction with photogenerated transient species (or, sometimes, the use of reasonable values for the latter) allowed the prediction of the EHMC half-life time in surface waters, by means of a validated photochemical model. The predicted EHMC lifetime is of the order of hours to a few days in fair-weather summertime, and the main factors controlling the EHMC phototransformation in sunlit surface waters would be the water depth and the dissolved organic carbon (DOC) content. The formation of transformation products (TPs) was followed as well via HPLC/HRMS. Three TPs were detected in the samples exposed to UVA radiation, while one additional TP was detected in the samples exposed to UVB radiation. The detected TPs comprised 4-methoxybenzaldehyde, a hydroxylated derivative and dimeric species. Through the use of heterogeneous photocatalysis with TiO{sub 2}, seven additional TPs were identified, most of them resulting from the further degradation of primary TPs formed through direct photolysis and that might be detected in aquatic systems as well. The photodegradation of EHMC in the presence of TiO{sub 2} yielded more toxic TPs than the parent compound (as determined with the Vibrio fischeri Microtox assay). The increased toxicity is partially accounted for by the formation of 4-methoxybenzaldehyde. - Highlights: • Study of the photolytic and photocatalytic

  13. Process dominance analysis for fate modeling of flubendazole and fenbendazole in liquid manure and manured soil.

    Science.gov (United States)

    Moenickes, Sylvia; Höltge, Sibylla; Kreuzig, Robert; Richter, Otto

    2011-12-01

    Fate monitoring data on anaerobic transformation of the benzimidazole anthelmintics flubendazole (FLU) and fenbendazole (FEN) in liquid pig manure and aerobic transformation and sorption in soil and manured soil under laboratory conditions were used for corresponding fate modeling. Processes considered were reversible and irreversible sequestration, mineralization, and metabolization, from which a set of up to 50 different models, both nested and concurrent, was assembled. Five selection criteria served for model selection after parameter fitting: the coefficient of determination, modeling efficiency, a likelihood ratio test, an information criterion, and a determinability measure. From the set of models selected, processes were classified as essential or sufficient. This strategy to identify process dominance was corroborated through application to data from analogous experiments for sulfadiazine and a comparison with established fate models for this substance. For both, FLU and FEN, model selection performance was fine, including indication of weak data support where observed. For FLU reversible and irreversible sequestration in a nonextractable fraction was determined. In particular, both the extractable and the nonextractable fraction were equally sufficient sources for irreversible sequestration. For FEN generally reversible formation of the extractable sulfoxide metabolite and reversible sequestration of both the parent and the metabolite were dominant. Similar to FLU, irreversible sequestration in the nonextractable fraction was determined for which both the extractable or the nonextractable fraction were equally sufficient sources. Formation of the sulfone metabolite was determined as irreversible, originating from the first metabolite.

  14. A mercury transport and fate model (LM2-mercury) for mass budget assessment of mercury cycling in Lake Michigan

    Science.gov (United States)

    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, ...

  15. Caenorhabditis elegans vulval cell fate patterning

    Science.gov (United States)

    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.

  16. Dynamic Probabilistic Modeling of Environmental Emissions of Engineered Nanomaterials.

    Science.gov (United States)

    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.

  17. Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes

    Science.gov (United States)

    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.

  18. Dynamic fate modeling of γ-hexachlorocyclohexane in the lower reaches of the Liao River

    Institute of Scientific and Technical Information of China (English)

    LIU Zhenyu; YANG Fenglin; QUAN Xie; ZHANG Xiaohong

    2007-01-01

    A QWASI model dependent on temperature is parameterized to describe the long-term fate of persistent organic pollutants(POPs)in the Liao River.The model parameters,namely fugacity capacity,degradation rate,and transfer coefficient,are profoundly affected by temperature.This model is used to simulate the fate Of γ-hexachlorocyclohexane(γ-HCH)in the lower reaches of the Liao River from 1998 to 2008.Modeling results show that γ-HCH fugacity capacities in air,water,and sediment increase as temperature decreases.and the transfer and transformation rate coefficients increase as temperature increases.The variations of transfer and transformation parameter D values depend on fugacity capacities,and transfer and transformation coefficients simultaneously.The performance of the model is evaluated by comparing the predicted and observed concentrations in the water and sediment of the Liao River.The predicted values agree well with the observed value in the order of magnitude,in most cases within the factor of 3.It iS believed that the model is appropriate for simulating the long term fate of POPs in the Liao River.

  19. Modelling the fate of pesticides in paddy rice-fish pond farming system in Northern Vietnam

    Science.gov (United States)

    Lamers, M.; Nguyen, N.; Streck, T.

    2012-04-01

    During the last decade rice production in Vietnam has tremendously increased due to the introduction of new high yield, short duration rice varieties and an increased application of pesticides. Since pesticides are toxic by design, there is a natural concern on the possible impacts of their presence in the environment on human health and environment quality. In North Vietnam, lowland and upland rice fields were identified to be a major non-point source of agrochemical pollution to surface and ground water, which are often directly used for domestic purposes. Field measurements, however, are time consuming, costly and logistical demanding. Hence, quantification, forecast and risk assessment studies are hampered by a limited amount of field data. One potential way to cope with this shortcoming is the use of process-based models. In the present study we developed a model for simulating short-term pesticide dynamics in combined paddy rice field - fish pond farming systems under the specific environmental conditions of south-east Asia. Basic approaches and algorithms to describe the key underlying biogeochemical processes were mainly adopted from the literature to assure that the model reflects the current standard of scientific knowledge and commonly accepted theoretical background. The model was calibrated by means of the Gauss-Marquardt-Levenberg algorithm and validated against measured pesticide concentrations (dimethoate and fenitrothion) during spring and summer rice crop season 2008, respectively, of a paddy field - fish pond system typical for northern Vietnam. First simulation results indicate that our model is capable to simulate the fate of pesticides in such paddy - fish pond farming systems. The model efficiency for the period of calibration, for example, was 0.97 and 0.95 for dimethoate and fenitrothion, respectively. For the period of validation, however, the modeling efficiency slightly decreased to 0.96 and 0.81 for dimethoate and fenitrothion

  20. Fate modelling of chemical compounds with incomplete data sets

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    , and to provide simplified proxies for the more complicated “real”model relationships. In the presented study two approaches for the reduction of the data demand associated with characterization of chemical emissions in USEtoxTM are tested: The first approach yields a simplified set of mode of entry specific meta......-models with a data demand of app. 63 % (5/8) of the USEtoxTM characterization model. The second yields a simplified set of mode of entry specific meta-models with a data demand of 75 % (6/8) of the original model. The results of the study indicate that it is possible to simplify characterization models and lower...... the data demand of these models applying the presented approach. The results further indicate that the second approach relying on 75 % of the original data set provides the meta-model sets which best mimics the original model. An overall trend observed from the 75 % data demand meta-model sets...

  1. Physical–chemical properties and evaluative fate modelling of ‘emerging’ and ‘novel’ brominated and organophosphorus flame retardants in the indoor and outdoor environment

    Energy Technology Data Exchange (ETDEWEB)

    Liagkouridis, Ioannis, E-mail: ioannis.liagkouridis@aces.su.se [Department of Environmental Science and Analytical Chemistry (ACES), Stockholm University, SE 106 91 Stockholm (Sweden); IVL Swedish Environmental Research Institute, P.O. Box 21060, SE 100 31 Stockholm (Sweden); Cousins, Anna Palm [IVL Swedish Environmental Research Institute, P.O. Box 21060, SE 100 31 Stockholm (Sweden); Cousins, Ian T. [Department of Environmental Science and Analytical Chemistry (ACES), Stockholm University, SE 106 91 Stockholm (Sweden)

    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 (P{sub ov}), 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 P{sub ov} 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. - Highlights: • ‘Best-estimates’ of physical–chemical properties of alternative FRs are proposed. • The ‘SMURF’ model and the OECD ‘The Tool’ are used to estimate the environmental fate. • Many alternative BFRs and HOPFRs have similar environmental fate to PBDEs. • Among alternative FRs, certain low MW

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  4. A fugacity-based indoor residential pesticide fate model

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, Deborah H.; Furtaw, Edward J.; McKone, Thomas E.

    2002-06-01

    Dermal and non-dietary pathways are potentially significant exposure pathways to pesticides used in residences. Exposure pathways include dermal contact with residues on surfaces, ingestion from hand- and object-to-mouth activities, and absorption of pesticides into food. A limited amount of data has been collected on pesticide concentrations in various residential compartments following an application. But models are needed to interpret this data and make predictions about other pesticides based on chemical properties. In this paper, we propose a mass-balance compartment model based on fugacity principles. We include air (both gas phase and aerosols), carpet, smooth flooring, and walls as model compartments. Pesticide concentrations on furniture and toys, and in food, are being added to the model as data becomes available. We determine the compartmental fugacity capacity and mass transfer-rate coefficient for wallboard as an example. We also present the framework and equations needed for a dynamic mass-balance model.

  5. Nanomaterial transformation and association with fresh and freeze-dried wastewater activated sludge: implications for testing protocol and environmental fate.

    Science.gov (United States)

    Kiser, Mehlika A; Ladner, David A; Hristovski, Kiril D; Westerhoff, Paul K

    2012-07-03

    Engineered nanomaterials (ENMs) are an emerging class of contaminants entering wastewater treatment plants (WWTPs), and standardized testing protocols are needed by industry and regulators to assess the potential removal of ENMs during wastewater treatment. A United States Environmental Protection Agency (USEPA) standard method (OPPTS 835.1110) for estimating soluble pollutant removal during wastewater treatment using freeze-dried, heat-treated (FDH) activated sludge (AS) has been recently proposed for predicting ENM fate in WWTPs. This study is the first to evaluate the use of FDH AS in batch experiments for quantifying ENM removal from wastewater. While soluble pollutants sorbed equally to fresh and FDH AS, fullerene, silver, gold, and polystyrene nanoparticles' removals with FDH AS were approximately 60-100% less than their removals with fresh AS. Unlike fresh AS, FDH AS had a high concentration of proteins and other soluble organics in the liquid phase, an indication of bacterial membrane disintegration due to freeze-drying and heat exposure. This cellular matter stabilized ENMs such that they were poorly removed by FDH AS. Therefore, FDH AS is not a suitable sorbent for estimating nanoparticle removal in WWTPs, whereas fresh AS has been shown to reasonably predict full-scale performance for titanium removal. This study indicates that natural or engineered processes (e.g., anaerobic digestion, biosolids decomposition in soils) that result in cellular degradation and matrices rich in surfactant-like materials (natural organic matter, proteins, phospholipids, etc.) may transform nanoparticle surfaces and significantly alter their fate in the environment.

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

    Science.gov (United States)

    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

  7. A Bayesian network model for assessing natural estrogen fate and transport in a swine waste lagoon.

    Science.gov (United States)

    Lee, Boknam; Kullman, Seth W; Yost, Erin; Meyer, Michael T; Worley-Davis, Lynn; Williams, C Michael; Reckhow, Kenneth H

    2014-10-01

    Commercial swine waste lagoons are regarded as a major reservoir of natural estrogens, which have the potential to produce adverse physiological effects on exposed aquatic organisms and wildlife. However, there remains limited understanding of the complex mechanisms of physical, chemical, and biological processes that govern the fate and transport of natural estrogens within an anaerobic swine lagoon. To improve lagoon management and ultimately help control the offsite transport of these compounds from swine operations, a probabilistic Bayesian network model was developed to assess natural estrogen fate and budget and then compared against data collected from a commercial swine field site. In general, the model was able to describe the estrogen fate and budget in both the slurry and sludge stores within the swine lagoon. Sensitivity analysis within the model demonstrated that the estrogen input loading from the associated barn facility was the most important factor in controlling estrogen concentrations within the lagoon slurry storage, whereas the settling rate was the most significant factor in the lagoon sludge storage. The degradation reactions were shown to be minor in both stores based on prediction of average total estrogen concentrations. Management scenario evaluations demonstrated that the best possible management options to reduce estrogen levels in the lagoon are either to adjust the estrogen input loading from swine barn facilities or to effectively enhance estrogen bonding with suspended solids through the use of organic polymers or inorganic coagulants.

  8. A Bayesian Network Model for Assessing Estrogen Fate and Transport in a Swine Waste Lagoon

    Science.gov (United States)

    Lee, Boknam; Kullman, Seth W.; Yost, Erin; Meyer, Michael T.; Worley-Davis, Lynn; Reckhow, Kenneth H.

    2017-01-01

    Commercial swine waste lagoons are regarded as a major reservoir of natural estrogens, which have the potential to produce adverse physiological effects on exposed aquatic organisms and wildlife. However, there remains limited understanding of the complex mechanisms of physical, chemical, and biological processes that govern the fate and transport of natural estrogens within an anaerobic swine lagoon. To improve lagoon management and ultimately help control the offsite transport of these compounds from swine operations, a Bayesian network model was developed to predict estrogen fate and budget and compared against data collected from a commercial swine field site. In general, the model was able to predict the estrogen fate and budget in both the slurry and sludge stores within the swine lagoon. Sensitivity analysis within the model, demonstrated that the estrogen input loading from the associated barn facility was the most important factor in controlling estrogen concentrations within the lagoon slurry storage, while the settling rate was the most significant factor in the lagoon sludge storage. The degradation reactions were shown to be minor in both stores based on prediction of average total estrogen concentrations. Management scenario evaluations showed that the best possible management options to reduce estrogen levels in the lagoon are either to adjust the estrogen input loading from swine barn facilities or to effectively enhancing estrogen bonding with suspended solids through the use of organic polymers or inorganic coagulants. PMID:24798317

  9. Spatially distributed influence of agro-environmental factors governing nitrate fate and transport in an irrigated stream-aquifer system

    Science.gov (United States)

    Bailey, R. T.; Ahmadi, M.; Gates, T. K.; Arabi, M.

    2015-12-01

    Elevated levels of nitrate (NO3) in groundwater systems pose a serious risk to human populations and natural ecosystems. As part of an effort to remediate NO3 contamination in irrigated stream-aquifer systems, this study elucidates agricultural and environmental parameters and processes that govern NO3 fate and transport at the regional (500 km2), local (50 km2), and field scales (humus decomposition also dominate or partially dominate in other locations. Each factor, with the exception of O2 reduction rate, is the dominating influence on NO3 groundwater concentration at one or more locations within the study area. Results can be used to determine critical processes and key management actions for future data collection and remediation strategies, with efforts able to be focused on localized areas.

  10. Georeferenced fate modelling of LAS in the itter stream

    DEFF Research Database (Denmark)

    Schulze, C:; Matthies, M.; Trapp, S.

    1999-01-01

    For the simulation of spatial concentration patterns of 'down-the-drain' chemicals mathematical models were coupled with a Geographic Information System (GIS) to predict concentrations in the receiving surface waters, using the detergent chemicals Linear Alkylbenzenesulfonate (LAS) and Boron and ...... in the riverine water and the water quality parameters TOC and ammonium, This study is closely linked to the ongoing project GREAT-ER. (C) 1999 Elsevier Science Ltd. All rights reserved....

  11. Dynamic modeling of environmental risk associated with drilling discharges to marine sediments.

    Science.gov (United States)

    Durgut, İsmail; Rye, Henrik; Reed, Mark; Smit, Mathijs G D; Ditlevsen, May Kristin

    2015-10-15

    Drilling discharges are complex mixtures of base-fluids, chemicals and particulates, and may, after discharge to the marine environment, result in adverse effects on benthic communities. A numerical model was developed to estimate the fate of drilling discharges in the marine environment, and associated environmental risks. Environmental risk from deposited drilling waste in marine sediments is generally caused by four types of stressors: oxygen depletion, toxicity, burial and change of grain size. In order to properly model these stressors, natural burial, biodegradation and bioturbation processes were also included. Diagenetic equations provide the basis for quantifying environmental risk. These equations are solved numerically by an implicit-central differencing scheme. The sediment model described here is, together with a fate and risk model focusing on the water column, implemented in the DREAM and OSCAR models, both available within the Marine Environmental Modeling Workbench (MEMW) at SINTEF in Trondheim, Norway.

  12. On the fate of the Standard Model at finite temperature

    CERN Document Server

    Rose, Luigi Delle; Urbano, Alfredo

    2015-01-01

    In this paper we revisit and update the computation of thermal corrections to the stability of the electroweak vacuum in the Standard Model. At zero temperature, we make use of the full two-loop effective potential, improved by three-loop beta functions with two-loop matching conditions. At finite temperature, we include one-loop thermal corrections together with resummation of daisy diagrams. We solve numerically---both at zero and finite temperature---the bounce equation, thus providing an accurate description of the thermal tunneling. We find that at finite temperature the instability bound excludes values of the top mass $M_t \\gtrsim 173.6$ GeV, assuming $M_h \\simeq 125$ GeV and including uncertainties on the strong coupling. We discuss the validity and temperature-dependence of this bound in the early Universe, with a special focus on the reheating phase after inflation.

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

    Science.gov (United States)

    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.

  14. On the fate of the Standard Model at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

    Rose, Luigi Delle; Marzo, Carlo [Università del Salento, Dipartimento di Matematica e Fisica “Ennio De Giorgi' ,Via Arnesano, 73100 Lecce (Italy); INFN - Sezione di Lecce,via Arnesano, 73100 Lecce (Italy); Urbano, Alfredo [SISSA - International School for Advanced Studies,via Bonomea 256, 34136 Trieste (Italy)

    2016-05-10

    In this paper we revisit and update the computation of thermal corrections to the stability of the electroweak vacuum in the Standard Model. At zero temperature, we make use of the full two-loop effective potential, improved by three-loop beta functions with two-loop matching conditions. At finite temperature, we include one-loop thermal corrections together with resummation of daisy diagrams. We solve numerically — both at zero and finite temperature — the bounce equation, thus providing an accurate description of the thermal tunneling. Assuming a maximum temperature in the early Universe of the order of 10{sup 18} GeV, we find that the instability bound excludes values of the top mass M{sub t}≳173.6 GeV, with M{sub h}≃125 GeV and including uncertainties on the strong coupling. We discuss the validity and temperature-dependence of this bound in the early Universe, with a special focus on the reheating phase after inflation.

  15. An updated state of the science EQC model for evaluating chemical fate in the environment: application to D5 (decamethylcyclopentasiloxane).

    Science.gov (United States)

    Hughes, Lauren; Mackay, Don; Powell, David E; Kim, Jaeshin

    2012-04-01

    The EQuilibrium Criterion (EQC) model developed and published in 1996 has been widely used for screening level evaluations of the multimedia, fugacity-based environmental fate of organic chemicals for educational, industrial, and regulatory purposes. Advances in the science of chemical partitioning and reactivity and the need for more rigorous regulatory evaluations have resulted in a need to update the model. The New EQC model is described which includes an improved treatment of input partitioning and reactivity data, temperature dependence and an easier sensitivity and uncertainty analysis but uses the same multi-level approach, equations and environmental parameters as in the original version. A narrative output is also produced. The New EQC model, which uses a Microsoft Excel platform, is described and applied in detail to decamethylcyclopentasiloxane (D5; CAS No. 541-02-6). The implications of these results for the more detailed exposure and risk assessment of D5 are discussed. The need for rigorous evaluation and documentation of the input parameters is outlined.

  16. Fate of phthalate esters in municipal wastewater treatment plant and their environmental impact.

    Science.gov (United States)

    Kong, Minghao; Song, Yonghui; Zhang, Yizhang; Liu, Ruixia; Wei, Jian; Zheng, Lei

    2016-01-01

    The fate and distribution of six phthalate esters (PAEs) in a municipal wastewater treatment plant (WWTP) employing an anaerobic/anoxic/oxic (A(2)/O) process were investigated. The process achieved relatively high removal efficiencies of PAEs in the range 55-97%. It illustrated that biotransformation and sludge-adsorption were major elimination pathways by analyzing the mass balance and flux of PAEs. About 83% of ∑PAEs was entirely removed by A(2)/O bioreactors indicating biotransformation is the dominant removal mechanism. PAEs with shorter alkyl chain length and higher water solubility were more biodegradable. Less than 6% of ∑PAEs were removed by excess sludge adsorption. The sludge-adsorption capacity of PAE depends on its hydrophobicity. The levels and fluxes of PAEs were analyzed by monitoring different sites of the receiving river of the WWTP effluent to clarify the potential impact of discharge. Daily flux of PAEs upstream and downstream of the discharging point were 113 kg·d(-1) and 205 kg·d(-1), respectively, which were higher than the effluent devotion value of 6.67 kg·d(-1). It suggested that the emissions from the WWTP appeared to be less than those from the other possible sources, such as potential untreated discharge and surface runoff. Improvement of wastewater collection efficiencies is necessary to eliminate the PAE load in the urban river.

  17. Transformation of triphenyltin by Eubacteria: Fate and effects in environmental system

    Digital Repository Service at National Institute of Oceanography (India)

    Jadhav, S.

    and organisms. Knowledge about the environmental concentrations of any chemical compound is required to understand its effects on the system. Presence of such compounds in the environment is a serious threat and danger for human health and aquatic organisms...

  18. US Geological Survey research on the environmental fate of uranium mining and milling wastes

    Science.gov (United States)

    Landa, E.R.; Gray, J.R.

    1995-01-01

    Studies by the US Geological Survey (USGS) of uranium mill tailings (UMT) have focused on characterizing the forms in which radionuclides are retained and identifying factors influencing the release of radionuclides to air and water. Selective extraction studies and studies of radionuclide sorption by and leaching from components of UMT showed alkaline earth sulfate and hydrous ferric oxides to be important hosts of radium-226 (226Ra) in UMT. Extrapolating from studies of barite dissolution in anerobic lake sediments, the leaching of 226Ra from UMT by sulfate-reducing bacteria was investigated; a marked increase in 226Ra release to aqueous solution as compared to sterile controls was demonstrated. A similar action of iron(III)-reducing bacteria was later shown. Ion exchangers such as clay minerals can also promote the dissolution of host-phase minerals and thereby influence the fate of radionuclides such as 226Ra. Radon release studies examined particle size and ore composition as variables. Aggregation of UMT particles was shown to mask the higher emanating fraction of finer particles. Studies of various ores and ore components showed that UMT cannot be assumed to have the same radon-release characteristics as their precursor ores, nor can 226Ra retained by various substrates be assumed to emanate the same fraction of radon. Over the last decade, USGS research directed at offsite mobility of radionuclides from uranium mining and milling processes has focused on six areas: the Midnite Mine in Washington; Ralston Creek and Reservoir, Colorado; sites near Canon City, Colorado; the Monument Valley District of Arizona and Utah; the Cameron District of Arizona; and the Puerco River basin of Arizona and New Mexico.

  19. US Geological Survey research on the environmental fate of uranium mining and milling wastes

    Science.gov (United States)

    Landa, E. R.; Gray, J. R.

    1995-07-01

    Studies by the US Geological Survey (USGS) of uranium mill tailings (UMT) have focused on characterizing the forms in which radionuclides are retained and identifying factors influencing the release of radionuclides to air and water. Selective extraction studies and studies of radionuclide sorption by and leaching from components of UMT showed alkaline earth sulfate and hydrous ferric oxides to be important hosts of radium-226 (226Ra) in UMT. Extrapolating from studies of barite dissolution in anerobic lake sediments, the leaching of226Ra from UMT by sulfate-reducing bacteria was investigated; a marked increase in226Ra release to aqueous solution as compared to sterile controls was demonstrated. A similar action of iron(III)-reducing bacteria was later shown. Ion exchangers such as clay minerals can also promote the dissolution of host-phase minerals and thereby influence the fate of radionuclides such as226Ra. Radon release studies examined particle size and ore composition as variables. Aggregation of UMT particles was shown to mask the higher emanating fraction of finer particles. Studies of various ores and ore components showed that UMT cannot be assumed to have the same radon-release characteristics as their precursor ores, nor can226Ra retained by various substrates be assumed to emanate the same fraction of radon. Over the last decade, USGS research directed at offsite mobility of radionuclides from uranium mining and milling processes has focused on six areas: the Midnite Mine in Washington; Ralston Creek and Reservoir, Colorado; sites near Canon City, Colorado; the Monument Valley District of Arizona and Utah; the Cameron District of Arizona; and the Puerco River basin of Arizona and New Mexico.

  20. Computer Model Locates Environmental Hazards

    Science.gov (United States)

    2008-01-01

    Catherine Huybrechts Burton founded San Francisco-based Endpoint Environmental (2E) LLC in 2005 while she was a student intern and project manager at Ames Research Center with NASA's DEVELOP program. The 2E team created the Tire Identification from Reflectance model, which algorithmically processes satellite images using turnkey technology to retain only the darkest parts of an image. This model allows 2E to locate piles of rubber tires, which often are stockpiled illegally and cause hazardous environmental conditions and fires.

  1. BETR-world: A geographically explicit model of chemical fate: Application to transport of a-HCH to the arctic

    Energy Technology Data Exchange (ETDEWEB)

    Toose, Liisa; Woodfine, David G.; MacLeod, Matthew; Mackay, Don; Gouin, Jenn

    2003-12-01

    The Berkeley Trent (BETR)-World model, a 25 compartment, geographically explicit fugacity-based model is described and applied to evaluate the transport of chemicals from temperate source regions to receptor regions (such as the Arctic). The model was parameterized using GIS and an array of digital data on weather, oceans, freshwater, vegetation and geo-political boundaries. This version of the BETR model framework includes modification of atmospheric degradation rates by seasonally variable hydroxyl radical concentrations and temperature. Degradation rates in all other compartments vary with seasonally changing temperature. Deposition to the deep ocean has been included as a loss mechanism. A case study was undertaken for a-HCH. Dynamic emission scenarios were estimated for each of the 25 regions. Predicted environmental concentrations showed good agreement with measured values for the northern regions in air , and fresh and oceanic water and with the results from a previous model of global chemical fate. Potential for long-range transport and deposition to the Arctic region was assessed using a Transfer Efficiency combined with estimated emissions. European regions and the Orient including China have a high potential to contribute a-HCH contamination in the Arctic due to high rates of emission in these regions despite low Transfer Efficiencies. Sensitivity analyses reveal that the performance and reliability of the model is strongly in sequenced by parameters controlling degradation rates.

  2. Modelling the fate and transport of faecal bacteria in estuarine and coastal waters.

    Science.gov (United States)

    Gao, Guanghai; Falconer, Roger A; Lin, Binliang

    2015-11-15

    This paper details a numerical model developed to predict the fate and transport of faecal bacteria in receiving surface waters. The model was first validated by comparing model predicted faecal bacteria concentrations with available field measurements. The model simulations agreed well with the observation data. After calibration, the model was applied to investigate the effects of different parameters, including: tidal processes, river discharges from the upstream boundaries and bacteria inputs from the upstream boundaries, wastewater treatment works (WwTWs), rivers and combined sewer overflows (CSO), on the concentrations of faecal bacteria in the Ribble Estuary. The results revealed that the tide and upstream boundary bacteria inputs were the primary factors controlling the distribution of faecal bacteria. The bacteria inputs from the WwTWs in the model domain were generally found not to have a significant impact on distribution of faecal bacteria in the estuary.

  3. Regional Persistent Organic Pollutants' Environmental Impact Assessment and Control Model

    Directory of Open Access Journals (Sweden)

    Jurgis Staniskis

    2008-10-01

    Full Text Available The sources of formation, environmental distribution and fate of persistent organic pollutants (POPs are increasingly seen as topics to be addressed and solved at the global scale. Therefore, there are already two international agreements concerning persistent organic pollutants: the Protocol of 1998 to the 1979 Convention on the Long-Range Transboundary Air Pollution on Persistent Organic Pollutants (Aarhus Protocol; and the Stockholm Convention on Persistent Organic Pollutants. For the assessment of environmental pollution of POPs, for the risk assessment, for the evaluation of new pollutants as potential candidates to be included in the POPs list of the Stokholmo or/and Aarhus Protocol, a set of different models are developed or under development. Multimedia models help describe and understand environmental processes leading to global contamination through POPs and actual risk to the environment and human health. However, there is a lack of the tools based on a systematic and integrated approach to POPs management difficulties in the region.

  4. Sediment carbon fate in phreatic karst (Part 1): Conceptual model development

    Science.gov (United States)

    Husic, A.; Fox, J.; Agouridis, C.; Currens, J.; Ford, W.; Taylor, C.

    2017-06-01

    Recent research has paid increased attention to quantifying the fate of carbon pools within fluvial networks, but few, if any, studies consider the fate of sediment organic carbon in fluviokarst systems despite that karst landscapes cover 12% of the earth's land surface. The authors develop a conceptual model of sediment carbon fate in karst terrain with specific emphasis upon phreatic karst conduits, i.e., those located below the groundwater table that have the potential to trap surface-derived sediment and turnover carbon. To assist with their conceptual model development, the authors study a phreatic system and apply a mixture of methods traditional and novel to karst studies, including electrical resistivity imaging, well drilling, instantaneous velocimetry, dye tracing, stage recording, discrete and continuous sediment and water quality sampling, and elemental and stable carbon isotope fingerprinting. Results show that the sediment transport carrying capacity of the phreatic karst water is orders of magnitude less than surface streams during storm-activated periods promoting deposition of fine sediments in the phreatic karst. However, the sediment transport carrying capacity is sustained long after the hydrologic event has ended leading to sediment resuspension and prolonged transport. The surficial fine grained laminae occurs in the subsurface karst system; but unlike surface streams, the light-limited conditions of the subsurface karst promotes constant heterotrophy leading to carbon turnover. The coupling of the hydrological processes leads to a conceptual model that frames phreatic karst as a biologically active conveyor of sediment carbon that recharges degraded organic carbon back to surface streams. For example, fluvial sediment is estimated to lose 30% of its organic carbon by mass during a one year temporary residence within the phreatic karst. It is recommended that scientists consider karst pathways when attempting to estimate organic matter stocks

  5. Integrative modelling of the influence of MAPK network on cancer cell fate decision.

    Directory of Open Access Journals (Sweden)

    Luca Grieco

    2013-10-01

    Full Text Available The Mitogen-Activated Protein Kinase (MAPK network consists of tightly interconnected signalling pathways involved in diverse cellular processes, such as cell cycle, survival, apoptosis and differentiation. Although several studies reported the involvement of these signalling cascades in cancer deregulations, the precise mechanisms underlying their influence on the balance between cell proliferation and cell death (cell fate decision in pathological circumstances remain elusive. Based on an extensive analysis of published data, we have built a comprehensive and generic reaction map for the MAPK signalling network, using CellDesigner software. In order to explore the MAPK responses to different stimuli and better understand their contributions to cell fate decision, we have considered the most crucial components and interactions and encoded them into a logical model, using the software GINsim. Our logical model analysis particularly focuses on urinary bladder cancer, where MAPK network deregulations have often been associated with specific phenotypes. To cope with the combinatorial explosion of the number of states, we have applied novel algorithms for model reduction and for the compression of state transition graphs, both implemented into the software GINsim. The results of systematic simulations for different signal combinations and network perturbations were found globally coherent with published data. In silico experiments further enabled us to delineate the roles of specific components, cross-talks and regulatory feedbacks in cell fate decision. Finally, tentative proliferative or anti-proliferative mechanisms can be connected with established bladder cancer deregulations, namely Epidermal Growth Factor Receptor (EGFR over-expression and Fibroblast Growth Factor Receptor 3 (FGFR3 activating mutations.

  6. Spatially-distributed influence of agro-environmental factors governing nitrate fate and transport in an irrigated stream-aquifer system

    Directory of Open Access Journals (Sweden)

    R. T. Bailey

    2015-02-01

    Full Text Available Elevated levels of nitrate (NO3 in groundwater systems pose a serious risk to human populations and natural ecosystems. As part of an effort to remediate NO3 contamination in irrigated stream-aquifer systems, this study elucidates agricultural and environmental parameters and processes that govern NO3 fate and transport at the regional (500 km2, local (50 km2, and field scales (2. Specifically, the revised Morris sensitivity analysis method was applied to a finite-difference nitrogen cycling and reactive transport model of a regional-scale study site in the Lower Arkansas River Valley in southeastern Colorado. The method was used to rank the influence of anthropogenic activities and natural chemical processes on NO3 groundwater concentration, NO3 mass leaching, and NO3 mass loading to the Arkansas River from the aquifer. Sensitivity indices were computed for the entire study area in aggregate as well as each canal command area, crop type, and individual grid cells. Results suggest that fertilizer loading, crop uptake, and heterotrophic denitrification govern NO3 fate and transport for the majority of the study area, while canal NO3 concentration and rates of autotrophic denitrification, nitrification, and humus decomposition dominate or partially dominate in several canal command areas. Also, NO3 leaching and groundwater concentration in adjacent cultivated fields often are governed by different processes and mass inputs/outputs. Results can be used to determine critical processes and key management actions for future data collection and remediation strategies, with efforts able to be focused on localized areas.

  7. Environmental Fate and Transport of a New Energetic Material, CL-20

    Science.gov (United States)

    2006-03-01

    5 m, 99% pure), kaolinite, and mont -verse environmental consequences of widespread usage morillonite K10 were obtained from Aldrich Chemicals (St.of... Salamanca , S.J.C., von Hobe, M., Powell, A.K. and Richardson, D.J. (1999) Dissimilatory Fe(III) reduction by Clostridium beijerinckii isolated from

  8. Development of an Environmental Fate Simulator for New and Proposed Military Unique Munition Compounds

    Science.gov (United States)

    2015-05-07

    24 Selection of the Calculate Chemical Speciation Workflow .................................................. 26 Selection of the...rate constants for reduction in anaerobic aquatic systems and covalent binding in soil and sediment systems. Figure 11. An example of environmental...Figure 12. Screen shot of the CTS homepage. Figure 13: Overview of the Calculate Chemical Speciation Workflow. Figure 14. Results for the

  9. Intermolecular Forces as a Key to Understanding the Environmental Fate of Organic Xenobiotics

    Science.gov (United States)

    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.

  10. 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

    Science.gov (United States)

    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.

  11. Predicting pancreas cell fate decisions and reprogramming with a hierarchical multi-attractor model.

    Directory of Open Access Journals (Sweden)

    Joseph Xu Zhou

    Full Text Available Cell fate reprogramming, such as the generation of insulin-producing β cells from other pancreas cells, can be achieved by external modulation of key transcription factors. However, the known gene regulatory interactions that form a complex network with multiple feedback loops make it increasingly difficult to design the cell reprogramming scheme because the linear regulatory pathways as schemes of causal influences upon cell lineages are inadequate for predicting the effect of transcriptional perturbation. However, sufficient information on regulatory networks is usually not available for detailed formal models. Here we demonstrate that by using the qualitatively described regulatory interactions as the basis for a coarse-grained dynamical ODE (ordinary differential equation based model, it is possible to recapitulate the observed attractors of the exocrine and β, δ, α endocrine cells and to predict which gene perturbation can result in desired lineage reprogramming. Our model indicates that the constraints imposed by the incompletely elucidated regulatory network architecture suffice to build a predictive model for making informed decisions in choosing the set of transcription factors that need to be modulated for fate reprogramming.

  12. Modelling the Fate of Xenobiotic Trace Chemicals via Wastewater Treatment and Agricultural Resource Reuse

    DEFF Research Database (Denmark)

    Polesel, Fabio

    in WWTPs operated at SRT greater than 16 d. Beyond this critical SRT, enhanced biotransformation kinetics may occur due to the enrichment of slow-growing organisms (e.g., specialist degraders) or mixed substrate utilization strategies. This finding supported our experimental evidence of enhanced...... to the high number of marketed and consumed chemicals, and to the uncertainties associated to sampling and analytical methodologies, quantifying the elimination of XTCs during wastewater treatment still remains a challenge. Developing robust modelling tools to predict the fate of XTCs in WWTPs can help...

  13. The impact of sperm-expressed transcription factors on fate-mapping models.

    Science.gov (United States)

    Yuan, Xin; Du, Jianlin; Qin, Qin; Li, Xiaoqun; Deng, Songbai; Chen, Yunqing; Zhang, Ling; She, Qiang

    2015-10-01

    Genetic lineage tracing has been used extensively in developmental biology. Many transcription factors expressed in sperm may induce Cre-mediated loxP recombination during early zygote development. In this study, we investigated the effect of sperm-expressed Cre on cell type-specific Cre-mediated loxP recombination in fate-mapping models of Tbx18+ progenitor cells. We found the recombination frequency in a reverse mating (RM) lineage was inconsistent with a normal Mendelian distribution. However, the recombination frequency in a positive mating (PM) lineage agreed with a Mendelian distribution. In the PM lineage, LacZ and EYFP were expressed in specific locations, such as the limb buds, heart, and hair follicles. Therefore, the reporter genes accurately and reliably traced cell differentiation in the PM lineage. In contrast, EYFP and LacZ were expressed throughout the embryo in the RM lineage. Thus, the reporter genes did not trace cell differentiation specifically in the RM lineage. Furthermore, Tbx18 mRNA and protein were expressed in the testicles of male mice, but almost no Tbx18 expression was detected in the ovaries of female mice. Similarly, reporter genes and Tbx18 were coexpressed in the seminiferous tubules and sperm cells of testicles. These results revealed that Cre-loxP-mediated pre-recombination in zygotes is due to Tbx18 expressed in testicle sperm cells when Cre is transmitted paternally. Our results indicate that Cre-mediated specific recombination in fate-mapping models of sperm-expressed genes may be influenced by the paternal origin of Cre. Therefore, a careful experimental design is critical when using the Cre-loxP system to trace spatial, temporal or tissue-specific fates.

  14. Organotins: a review of their reproductive toxicity, biochemistry, and environmental fate.

    Science.gov (United States)

    Graceli, Jones Bernardes; Sena, Gabriela Cavati; Lopes, Pedro Francisco Iguatemy; Zamprogno, Gabriela Carvalho; da Costa, Mércia Barcellos; Godoi, Ana Flavia Locateli; Dos Santos, Dayana Moscardi; de Marchi, Mary Rosa Rodrigues; Dos Santos Fernandez, Marcos Antonio

    2013-04-01

    The review purposes are to (1) evaluate the experimental evidence for adverse effects on reproduction and metabolism and (2) identify the current knowledge of analytical procedures, biochemistry and environmental aspects relating to organotins. Organotins are pollutants that are used as biocides in antifouling paints. They produce endocrine-disrupting effects in mollusks, such as imposex. In rodents, organotin exposure induces developmental and reproductive toxicity as well as alteration of metabolic homeostasis through its action as an obesogen. The adverse effects that appear in rodents have raised concerns about organotins' potential health risk to humans in relation to organotin exposure. At present, triorganotin, such as tributyltin, have been demonstrated to produce imposex, and mammalian reproductive and metabolic toxicity. For most mammals, triorganotin exposure predominantly occurs through the ingestion, and this compound can cross the placenta. With these risks in mind, it is important to improve our knowledge of organotins' effects on environmental health.

  15. Fate, behaviour and toxicity of engineered nanomaterials in the environmental systems

    CSIR Research Space (South Africa)

    Musee, N

    2012-04-01

    Full Text Available , and toxicity of engineered nanomaterials in the environmental systems Ndeke Musee Nanotech Environ Impacts Res Group, NRE nmusee@csir.co.za University of Free State, South Africa, 1st ? 4th April, 2012: NanoAfrica2012 Some questions: risk concerns... ? Heavy penalties ? Jail terms. One-way approach Musee et al., 2010, S. Afr. J. Sci. 67-72 Malevolent technologies are endless: ? Dichlorodiphenyltrichloroethane (DDT) ? Asbestos ? Chlorofluorocarbons (CFS) ? Genetically modified organisms...

  16. Integrated Environmental Assessment Modelling

    Energy Technology Data Exchange (ETDEWEB)

    Guardanz, R.; Gimeno, B. S.; Bermejo, V.; Elvira, S.; Martin, F.; Palacios, M.; Rodriguez, E.; Donaire, I. [Ciemat, Madrid (Spain)

    2000-07-01

    This report describes the results of the Spanish participation in the project Coupling CORINAIR data to cost-effect emission reduction strategies based on critical threshold. (EU/LIFE97/ENV/FIN/336). The subproject has focused on three tasks. Develop tools to improve knowledge on the spatial and temporal details of emissions of air pollutants in Spain. Exploit existing experimental information on plant response to air pollutants in temperate ecosystem and Integrate these findings in a modelling framework that can asses with more accuracy the impact of air pollutants to temperate ecosystems. The results obtained during the execution of this project have significantly improved the models of the impact of alternative emission control strategies on ecosystems and crops in the Iberian Peninsula. (Author) 375 refs.

  17. A simple model for the distribution and fate of organic chemicals in a landfill: MOCLA

    DEFF Research Database (Denmark)

    Kjeldsen, Peter; Christensen, Thomas Højlund

    2001-01-01

    of degradation and transformation in the landfill. Local equilibrium is assumed for the distribution of the chemicals in the landfill as expressed by Henry’s Law for the leachate-gas interface, and by the linear partition coefficient based on the waste solid organic carbon content for the waste......A simple mathematical model (MOCLA: Model for Organic Chemicals in Landfills) is presented, describing the distribution of organic chemicals between leachate, gas and solid waste. The model also predicts the fate of the chemicals in terms of emissions with leachate and landfill gas and in terms......-leachate interface. Degradation of the chemicals is expressed as a first order reaction. Annual specific leachate and gas generation data in combination with data on landfill area and volume allow for prediction of main emission routes. Model simulations involving two landfill scenarios for a number of chemicals...

  18. MODELING THE FATE AND TRANSPORT OF HYDROPHOBIC ORGANIC COMPOUNDS IN AN UNSTEADY RIVER-ESTUARINE SYSTEM

    Institute of Scientific and Technical Information of China (English)

    Su-Chin CHEN; Jan-Tai KUO

    2002-01-01

    This research develops a generalized,one-dimensional,finite difference model for simulating the distribution of toxic substances in a river-estuarine system. The three sub-models for unsteady flow,sediment transport,and the reaction of toxic substances are also presented using an uncoupled numerical method. The paper also includes experimental work for sorption/desorption,field measurements of organic carbon content in the heavily polluted Keelung River,and a laboratory study of cohesive sediment transport for the model calibration and verification. In addition,this study simulates the polycyclic aromatic hydrocarbons (PAHs) in the Keelung River in northern Taiwan as a case study. Encouraging results are obtained,and suggest that the modeling approach could be extended to simulate the fate and transport of sorbed pollutants in tidal river.

  19. Improved environmental multimedia modeling and its sensitivity analysis.

    Science.gov (United States)

    Yuan, Jing; Elektorowicz, Maria; Chen, Zhi

    2011-01-01

    Modeling of multimedia environmental issues is extremely complex due to the intricacy of the systems with the consideration of many factors. In this study, an improved environmental multimedia modeling is developed and a number of testing problems related to it are examined and compared with each other with standard numerical and analytical methodologies. The results indicate the flux output of new model is lesser in the unsaturated zone and groundwater zone compared with the traditional environmental multimedia model. Furthermore, about 90% of the total benzene flux was distributed to the air zone from the landfill sources and only 10% of the total flux emitted into the unsaturated, groundwater zones in non-uniform conditions. This paper also includes functions of model sensitivity analysis to optimize model parameters such as Peclet number (Pe). The analyses results show that the Pe can be considered as deterministic input variables for transport output. The oscillatory behavior is eliminated with the Pe decreased. In addition, the numerical methods are more accurate than analytical methods with the Pe increased. In conclusion, the improved environmental multimedia model system and its sensitivity analysis can be used to address the complex fate and transport of the pollutants in multimedia environments and then help to manage the environmental impacts.

  20. Sorption of lipophilic organic compunds to wood and implications for their environmental fate

    DEFF Research Database (Denmark)

    Trapp, Stefan; Miglioranza, S.B.; Mosbæk, Hans

    2001-01-01

    The sorption from water to wood (KWood) of 10 organic chemicals (logKOW, 1.48-6.20) was experimentally determined for oak (Quercus robur) and basket willow (Salix viminalis). Linear regression yielded log KWood ) -0.27 (( 0.25) + 0.632 (( 0.063)log KOW for oak (r ) 0.90, n ) 27) and log KWood ) -...... time. If metabolism inside the stem occurs, wood can serve as a “safe sink” for environmental chemicals. This might be of use in phytoremediation....

  1. A Systematic Investigation into the Environmental Fate of Microcystins and The Potential Risk: Study in Lake Taihu

    Directory of Open Access Journals (Sweden)

    Junmei Jia

    2016-06-01

    Full Text Available A systematic investigation was conducted in Lake Taihu in autumn of 2013 and 2014, in order to understand the environmental fate of microcystins (MCs and evaluate the health risk from MCs. Samples of water, algal cells, macrophytes, shrimps and fish were taken to detect MCs by HPLC-MS/MS after solid phase extraction. Widespread MC contamination in water, algal cells, macrophytes, shrimps and fish was found in Lake Taihu. The ubiquitous presence of MCs in water, algal cells and biota was found in 100% of samples. MC accumulation was in the order of primary producer > tertiary consumer > secondary consumer > primary consumer. The highest levels of MCs in macrophytes, shrimps and fish tissue were found in Potamogeton maackianus, Exopalaemon modestus, and Hyporhamphus intermedius, respectively. The MCs level in shrimps and the tissues of three fish species, Neosalanx tangkahkeii taihuensis, Coilia ectenes and silver carp, was closely linked to their dietary exposure. Ceratophyllum demersum L. was an ideal plant for introduction into lakes to protect against Microcystis blooms and MCs, due to its ability to absorb nutrients, accumulate large amounts of MCs and tolerate these toxins compared to other macrophytes. The average daily intakes (ADIs of MCs for Exopalaemon modestus and three fish species, Coilia ectenes, Hyporhamphus intermedius and Carassius carassius, were all above the tolerable daily intakes (TDI set by the World Health Organization (WHO, implying there existed potential threats to human health.

  2. Role of environmental factors and microorganisms in determining the fate of polycyclic aromatic hydrocarbons in the marine environment

    Science.gov (United States)

    Duran, Robert; Cravo-Laureau, Cristiana

    2016-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are widespread in marine ecosystems and originate from natural sources and anthropogenic activities. PAHs enter the marine environment in two main ways, corresponding to chronic pollution or acute pollution by oil spills. The global PAH fluxes in marine environments are controlled by the microbial degradation and the biological pump, which plays a role in particle settling and in sequestration through bioaccumulation. Due to their low water solubility and hydrophobic nature, PAHs tightly adhere to sediments leading to accumulation in coastal and deep sediments. Microbial assemblages play an important role in determining the fate of PAHs in water and sediments, supporting the functioning of biogeochemical cycles and the microbial loop. This review summarises the knowledge recently acquired in terms of both chronic and acute PAH pollution. The importance of the microbial ecology in PAH-polluted marine ecosystems is highlighted as well as the importance of gaining further in-depth knowledge of the environmental services provided by microorganisms. PMID:27519427

  3. Modelling impact of climate change on atmospheric transport and fate of persistent organic pollutants in the Arctic

    Directory of Open Access Journals (Sweden)

    K. M. Hansen

    2015-03-01

    Full Text Available The Danish Eulerian Hemispheric Model (DEHM was applied to investigate how projected climate changes will affect the atmospheric transport of 13 persistent organic pollutants (POPs to the Artic and their environmental fate within the Arctic. Two sets of simulations were performed, one with initial environmental concentrations from a 20 year spin-up simulation and one with initial environmental concentrations set to zero. Each set of simulations consisted of two ten-year time slices representing the present (1990–2000 and future (2090–2100 climate conditions. The same POP emissions were applied in all simulations to ensure that the difference in predicted concentrations for each set of simulations only arises from the difference in climate input. DEHM was driven using meteorological input from the global circulation model, ECHAM/MPI-OM, simulating the SRES A1B climate scenario. Under the applied climate and emission scenarios, the total mass of all compounds was predicted to be up to 20% higher across the Northern Hemisphere. The mass of HCHs within the Arctic was predicted to be up to 39% higher, whereas the change in mass of the PCBs was predicted to range from 14% lower to 17% higher depending on the congener and the applied initial environmental concentrations. The results of this study also indicate that contaminants with no or a short emission history will be more rapidly transported to and build up in the arctic environment in a future warmer climate. The process that dominates the environmental behaviour of POPs in the Arctic under a future warmer climate scenario is the shift in mass of POPs from the surface media to the atmosphere induced by the higher mean temperature. This is to some degree counteracted by higher degradation rates also following the higher mean temperature. The more dominant of these two processes depend on the physical-chemical properties of the compounds. Previous model studies have predicted that the effect of

  4. Modelling impact of climate change on atmospheric transport and fate of persistent organic pollutants in the Arctic

    Science.gov (United States)

    Hansen, K. M.; Christensen, J. H.; Geels, C.; Silver, J. D.; Brandt, J.

    2015-03-01

    The Danish Eulerian Hemispheric Model (DEHM) was applied to investigate how projected climate changes will affect the atmospheric transport of 13 persistent organic pollutants (POPs) to the Artic and their environmental fate within the Arctic. Two sets of simulations were performed, one with initial environmental concentrations from a 20 year spin-up simulation and one with initial environmental concentrations set to zero. Each set of simulations consisted of two ten-year time slices representing the present (1990-2000) and future (2090-2100) climate conditions. The same POP emissions were applied in all simulations to ensure that the difference in predicted concentrations for each set of simulations only arises from the difference in climate input. DEHM was driven using meteorological input from the global circulation model, ECHAM/MPI-OM, simulating the SRES A1B climate scenario. Under the applied climate and emission scenarios, the total mass of all compounds was predicted to be up to 20% higher across the Northern Hemisphere. The mass of HCHs within the Arctic was predicted to be up to 39% higher, whereas the change in mass of the PCBs was predicted to range from 14% lower to 17% higher depending on the congener and the applied initial environmental concentrations. The results of this study also indicate that contaminants with no or a short emission history will be more rapidly transported to and build up in the arctic environment in a future warmer climate. The process that dominates the environmental behaviour of POPs in the Arctic under a future warmer climate scenario is the shift in mass of POPs from the surface media to the atmosphere induced by the higher mean temperature. This is to some degree counteracted by higher degradation rates also following the higher mean temperature. The more dominant of these two processes depend on the physical-chemical properties of the compounds. Previous model studies have predicted that the effect of a changed climate on

  5. Environmental fate of 2,4-dinitroanisole (DNAN) and its reduced products.

    Science.gov (United States)

    Hawari, J; Monteil-Rivera, F; Perreault, N N; Halasz, A; Paquet, L; Radovic-Hrapovic, Z; Deschamps, S; Thiboutot, S; Ampleman, G

    2015-01-01

    Several defense departments intend to replace 2,4,6-trinitrotoluene (TNT) in munitions formulations by the less sensitive 2,4-dinitroanisole (DNAN). To help understand environmental behavior and ecological risk associated with DNAN we investigated its key initial abiotic and biotic reaction routes and determined relevant physicochemical parameters (pKa, logKow, aqueous solubility (Sw), partition coefficient (Kd)) for the chemical and its products. Reduction of DNAN with either zero valent iron or bacteria regioselectively produced 2-amino-4-nitroanisole (2-ANAN) which, under strict anaerobic conditions, gave 2,4-diaminoanisole (DAAN). Hydrolysis under environmental conditions was insignificant whereas photolysis gave photodegradable intermediates 2-hydroxy-4-nitroanisole and 2,4-dinitrophenol. Physicochemical properties of DNAN and its amino products drastically depended on the type and position of substituent(s) on the aromatic ring. Sw followed the order (TNT

  6. Environmental modeling framework invasiveness: analysis and implications

    Science.gov (United States)

    Environmental modeling frameworks support scientific model development by providing an Application Programming Interface (API) which model developers use to implement models. This paper presents results of an investigation on the framework invasiveness of environmental modeling frameworks. Invasiven...

  7. Assessing the transport and fate of bioengineered microorganisms in the environment

    Energy Technology Data Exchange (ETDEWEB)

    Barnthouse, L.W.; Palumbo, A.V.

    1985-01-01

    We review the methods currently available for quantifying the transport and fate of microbes in atmospheric and aqueous media and assess their adequacy for purposes of risk assessment. We review the literature on transport and fate of microorganisms, including studies of: (1) pathways of migration, (2) the survival of microorganisms during transport and fate. In addition, we review the transport and fate models that have been used in environmental risk assessments for radionuclides and toxic chemicals and evaluate their applicability to the problem of assessing environmental risks of bioengineered microorganisms.

  8. Comprehensive evaluation of antibiotics emission and fate in the river basins of China: source analysis, multimedia modeling, and linkage to bacterial resistance.

    Science.gov (United States)

    Zhang, Qian-Qian; Ying, Guang-Guo; Pan, Chang-Gui; Liu, You-Sheng; Zhao, Jian-Liang

    2015-06-02

    Antibiotics are widely used in humans and animals, but there is a big concern about their negative impacts on ecosystem and human health after use. So far there is a lack of information on emission inventory and environmental fate of antibiotics in China. We studied national consumption, emissions, and multimedia fate of 36 frequently detected antibiotics in China by market survey, data analysis, and level III fugacity modeling tools. Based on our survey, the total usage for the 36 chemicals was 92700 tons in 2013, an estimated 54000 tons of the antibiotics was excreted by human and animals, and eventually 53800 tons of them entered into the receiving environment following various wastewater treatments. The fugacity model successfully predicted environmental concentrations (PECs) in all 58 river basins of China, which are comparable to the reported measured environmental concentrations (MECs) available in some basins. The bacterial resistance rates in the hospitals and aquatic environments were found to be related to the PECs and antibiotic usages, especially for those antibiotics used in the most recent period. This is the first comprehensive study which demonstrates an alarming usage and emission of various antibiotics in China.

  9. Evolutionary, genetic, environmental and hormonal-induced plasticity in the fate of organs arising from axillary meristems in Passiflora spp.

    Science.gov (United States)

    Cutri, Lucas; Nave, Nahum; Ami, Michal Ben; Chayut, Noam; Samach, Alon; Dornelas, Marcelo Carnier

    2013-01-01

    Tendrils can be found in different plant species. In legumes such as pea, tendrils are modified leaves produced by the vegetative meristem but in the grape vine, a same meristem is used to either form a tendril or an inflorescence. Passiflora species originated in ecosystems in which there is dense vegetation and competition for light. Thus climbing on other plants in order to reach regions with higher light using tendrils is an adaptive advantage. In Passiflora species, after a juvenile phase, every leaf has a subtending vegetative meristem, and a separate meristem that forms both flowers and a tendril. Thus, flowers are formed once a tendril is formed yet whether or not this flower will reach bloom depends on the environment. For example, in Passiflora edulis flowers do not develop under shaded conditions, so that tendrils are needed to bring the plant to positions were flowers can develop. This separate meristem generally forms a single tendril in different Passiflora species yet the number and position of flowers formed from the same meristem diverges among species. Here we display the variation among species as well as variation within a single species, P. edulis. We also show that the number of flowers within a specific genotype can be modulated by applying Cytokinins. Finally, this separate meristem is capable of transforming into a leaf-producing meristem under specific environmental conditions. Thus, behind what appears to be a species-specific rigid program regarding the fate of this meristem, our study helps to reveal a plasticity normally restrained by genetic, hormonal and environmental constraints.

  10. Fate of linear alkylbenzenes and benzothiazoles of anthropogenic origin and their potential as environmental molecular markers in the Pearl River Delta, South China

    Energy Technology Data Exchange (ETDEWEB)

    Ni Honggang [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Graduate School, Chinese Academy of Sciences, Beijing 100049 (China); Shen Rulang [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Zeng Hui [Key Laboratory for Environmental and Urban Sciences, Shenzhen Graduate School, Peking University, Shenzhen 518055 (China); Zeng, Eddy Y., E-mail: eddyzeng@gig.ac.c [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China)

    2009-12-15

    The mass emissions of linear alkylbenzenes (LABs), benzothiazole (BT), and 2-[4-morpholinyl]benzothiazole (24MoBT) from anthropogenic activities within one year were estimated according to the population and the number of automobiles in the Pearl River Delta (PRD), South China. Based on the estimation, the distribution of these compounds among various environmental media was simulated with a mass balance box model established in the present study. The results showed that 79% of LABs generated in the PRD was stored in sediment while only 1.3% of LABs was presumably transported to the adjacent South China Sea (SCS). On the contrary, 47% of BT and 77% of 24MoBT generated in the region were carried with riverine runoff to the coastal ocean. The results from the present study suggest that hydrophobic compounds tend to stay in the watershed of the PRD, whereas hydrophilic ones mainly outflow to the coastal ocean. - A simple mass balance box model examines the fate of linear alkylbenzenes and benzothiazoles in the Pearl River Delta, South China.

  11. Development of Cortical GABAergic Neurons: Interplay of progenitor diversity and environmental factors on fate specification

    Directory of Open Access Journals (Sweden)

    Juliana Alves Brandão

    2015-04-01

    Full Text Available Cortical GABAergic interneurons constitute an extremely diverse population of cells organized in a well-defined topology of precisely interconnected cells. They play a crucial role regulating inhibitory-excitatory balance in brain circuits, gating sensory perception and regulating spike timing to brain oscillations during distinct behaviors. Dysfunctions in the establishment of proper inhibitory circuits have been associated to several brain disorders such as autism, epilepsy and schizophrenia. In the rodent adult cortex, inhibitory neurons are generated during the second gestational week from distinct progenitor lineages located in restricted domains of the ventral telencephalon. However, only recently, studies have revealed some of the mechanisms generating the heterogeneity of neuronal subtypes and their modes of integration in brain networks. Here we will discuss some the events involved in the production of cortical GABAergic neuron diversity with focus on the interaction between intrinsically driven genetic programs and environmental signals during development.

  12. Photodegradation of antibiotics under simulated solar radiation: implications for their environmental fate.

    Science.gov (United States)

    Batchu, Sudha Rani; Panditi, Venkata R; O'Shea, Kevin E; Gardinali, Piero R

    2014-02-01

    Roxithromycin, erythromycin, ciprofloxacin and sulfamethoxazole are frequently detected antibiotics in environmental waters. Direct and indirect photolysis of these problematic antibiotics were investigated in pure and natural waters (fresh and salt water) under irradiation of different light sources. Fundamental photolysis parameters such as molar absorption coefficient, quantum yield and first order rate constants are reported and discussed. The antibiotics are degraded fastest under ultraviolet 254 nm, followed by 350 nm and simulated solar radiation. The composition of the matrix (pH, dissolved organic content, chloride ion concentration) played a significant role in the observed photodegradation. Under simulated solar radiation, ciprofloxacin and sulfamethoxazole degrade relatively quickly with half-lives of 0.5 and 1.5h, respectively. However, roxithromycin and erythromycin, macrolides are persistent (half-life: 2.4-10 days) under solar simulation. The transformation products (15) of the targeted antibiotics produced under irradiation experiments were identified using high resolution mass spectrometry and degradation pathways were proposed.

  13. Communication models in environmental health.

    Science.gov (United States)

    Guidotti, Tee L

    2013-01-01

    Communication models common in environmental health are not well represented in the literature on health communication. Risk communication is a systematic approach to conveying essential information about a specific environmental issue and a framework for thinking about community risk and the alternatives for dealing with it. Crisis communication is intended to provide essential information to people facing an emergency in order to mitigate its effects and to enable them to make appropriate decisions, and it is primarily used in emergency management. Corporate communication is intended to achieve a change in attitude or perception of an organization, and its role in environmental health is usually public relations or to rehabilitate a damaged reputation. Environmental health education is a more didactic approach to science education with respect to health and the environment. Social marketing uses conventional marketing methods to achieve a socially desirable purpose but is more heavily used in health promotion generally. Communication models and styles in environmental health are specialized to serve the needs of the field in communicating with the community. They are highly structured and executed in different ways but have in common a relative lack of emphasis on changing personal or lifestyle behavior compared with health promotion and public health in general and a tendency to emphasize content on specific environmental issues and decision frameworks for protecting oneself or the community through collective action.

  14. Aquatic Pathways Model to predict the fate of phenolic compounds. Appendixes A through D

    Energy Technology Data Exchange (ETDEWEB)

    Aaberg, R.L.; Peloquin, R.A.; Strenge, D.L.; Mellinger, P.L.

    1983-04-01

    Organic materials released from energy-related activities could affect human health and the environment. We have developed a model to predict the fate of spills or discharges of pollutants into flowing or static bodies of fresh water. A computer code, Aquatic Pathways Model (APM), was written to implement the model. The APM estimates the concentrations of chemicals in fish tissue, water and sediment, and is therefore useful for assessing exposure to humans through aquatic pathways. The major pathways considered are biodegradation, fish and sediment uptake, photolysis, and evaporation. The model has been implemented with parameters for the distribution of phenols, an important class of compounds found in the water-soluble fractions of coal liquids. The model was developed to estimate the fate of liquids derived from coal. Current modeling efforts show that, in comparison with many pesticides and polyaromatic hydrocarbons (PAH), the lighter phenolics (the cresols) are not persistent in the environment. For the twelve phenolics studied, biodegradation appears to be the major pathway for elimination from aquatic environments. A pond system simulation of a spill of solvent-refined coal (SRC-II) materials indicates that phenol, cresols, and other single cyclic phenolics are degraded to 16 to 25 percent of their original concentrations within 30 hours. Adsorption of these compounds into sediments and accumulation by fish was minor. Results of a simulated spill of a coal liquid (SRC-II) into a pond show that APM predicted the allocation of 12 phenolic components among six compartments at 30 hours after a small spill. The simulation indicated that most of the introduced phenolic compounds were biodegraded. The phenolics remaining in the aquatic system partitioned according to their molecular weight and structure. A substantial amount was predicted to remain in the water, with less than 0.01% distributed in sediment or fish.

  15. Modelling fate and transport of glyphosate and AMPA in the Meuse catchment to assess the contribution of different pollution sources

    Science.gov (United States)

    Desmet, Nele; Seuntjens, Piet

    2013-04-01

    Large river basins have multiple sources of pesticides and usually the pollution sources are spread over the entire catchment. The cumulative effect of pesticides entering the river system in upstream areas and the formation of persistent degradation products can compromise downstream water use e.g. raw water quality for drinking water abstractions. For assessments at catchment scale pesticide fluxes coming from different sources and sub basins need to be taken into account. To improve management strategies, a sound understanding of the sources, emission routes, transport, environmental fate and conversion of pesticides is needed. In the Netherlands, the Meuse river basin is an important source for drinking water production. The river suffers from elevated concentrations of glyphosate and aminomethylphosphonic acid (AMPA). For AMPA it is rather unclear to what extent the pollution is related to glyphosate degradation and what is the contribution of other sources, especial phosphonates in domestic and industrial waste water. Based on the available monitoring data only it is difficult to distinguish between AMPA sources in such a large river basin. This hampers interpretation and decision making for water quality management in the Meuse catchment. Here, application of water quality models is very useful to obtain complementary information and insights. Modelling allows accounting for temporal and spatial variability in discharge and concentrations as well as distinguishing the contribution from conversion processes. In this study, a model for the river Meuse was developed and applied to assess the contribution of tributary and transnational influxes, glyphosate degradation and other sources to the AMPA pollution.

  16. Integration of biogenic emissions in environmental fate, transport, and exposure systems

    Science.gov (United States)

    Efstathiou, Christos I.

    Biogenic emissions make a significant contribution to the levels of aeroallergens and secondary air pollutants such as ozone. Understanding major factors contributing to allergic airway diseases requires accurate characterization of emissions and transport/transformation of biogenic emissions. However, biogenic emission estimates are laden with large uncertainties. Furthermore, the current biogenic emission estimation models use low-resolution data for estimating land use, vegetation biomass and VOC emissions. Furthermore, there are currently no established methods for estimating bioaerosol emissions over continental or regional scale, which can impact the ambient levels of pollent that have synergestic effects with other gaseous pollutants. In the first part of the thesis, an detailed review of different approaches and available databases for estimating biogenic emissions was conducted, and multiple geodatabases and satellite imagery were used in a consistent manner to improve the estimates of biogenic emissions over the continental United States. These emissions represent more realistic, higher resolution estimates of biogenic emissions (including those of highly reactive species such as isoprene). The impact of these emissions on tropospheric ozone levels was studied at a regional scale through the application of the USEPA's Community Multiscale Air Quality (CMAQ) model. Minor, but significant differences in the levels of ambient ozone were observed. In the second part of the thesis, an algorithm for estimating emissions of pollen particles from major allergenic tree and plant families in the United States was developed, extending the approach for modeling biogenic gas emissions in the Biogenic Emission Inventory System (BEIS). A spatio-temporal vegetation map was constructed from different remote sensing sources and local surveys, and was coupled with a meteorological model to develop pollen emissions rates. This model overcomes limitations posed by the lack of

  17. Emissions and fate of brominated flame retardants in the indoor environment: A critical review of modelling approaches

    Energy Technology Data Exchange (ETDEWEB)

    Liagkouridis, Ioannis, E-mail: ioannis.liagkouridis@ivl.se [IVL Swedish Environmental Research Institute, P.O. Box 21060, SE 100 31 Stockholm (Sweden); ITM Department of Applied Environmental Science, Stockholm University, SE 106 91 Stockholm (Sweden); Cousins, Ian T. [ITM Department of Applied Environmental Science, Stockholm University, SE 106 91 Stockholm (Sweden); Cousins, Anna Palm [IVL Swedish Environmental Research Institute, P.O. Box 21060, SE 100 31 Stockholm (Sweden)

    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. - Highlights: • Current emission models likely underestimate the release of low volatile BFRs from products. • Material abrasion and direct material–dust partitioning are important, yet understudied emission mechanisms. • Indoor surfaces can be significant sinks, but the mechanism is poorly understood. • Indoor fate of low volatile BFRs is strongly associated with particle

  18. A clomazone immunoassay to study the environmental fate of the herbicide in rice (Oryza sativa) agriculture.

    Science.gov (United States)

    Carlomagno, Mariana; Mathó, Cecilia; Cantou, Guillermina; Sanborn, James R; Last, Jerold A; Hammock, Bruce D; Roel, Alvaro; González, David; González-Sapienza, Gualberto

    2010-04-14

    The environmental impact of rice agriculture is poorly studied in developing countries, mainly due to limitations of the analytical capacity. Here, we report the development of a clomazone enzyme-linked immunosorbent assay as a fast and cost-effective tool to monitor the dissipation of this herbicide along the harvest. Antibodies were prepared using different strategies of hapten conjugation, and the best hapten/antibody pair was selected. It proved to be a reliable tool to measure the herbicide in the 2.0-20 ng/mL range in field samples, with excellent correlation with high-performance liquid chromatography results. The assay was used to study the dissipation of the herbicide in the floodwater of experimental rice paddies in Uruguay. Large differences in the residual amounts of herbicide were observed depending on the flooding practices. Because of its robustness and simplicity, the assay may be useful to delineate and monitor management practices that can contribute to minimizing the release of the herbicide in the environment.

  19. The Impacts of Different Meteorology Data Sets on Nitrogen Fate and Transport in the SWAT Watershed Model

    Science.gov (United States)

    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 ...

  20. Modeling Environmental Literacy of University Students

    Science.gov (United States)

    Teksoz, Gaye; Sahin, Elvan; Tekkaya-Oztekin, Ceren

    2012-01-01

    The present study proposed an Environmental Literacy Components Model to explain how environmental attitudes, environmental responsibility, environmental concern, and environmental knowledge as well as outdoor activities related to each other. A total of 1,345 university students responded to an environmental literacy survey (Kaplowitz and Levine…

  1. Predicting the fate of biodiversity using species' distribution models: enhancing model comparability and repeatability.

    Directory of Open Access Journals (Sweden)

    Genoveva Rodríguez-Castañeda

    Full Text Available Species distribution modeling (SDM is an increasingly important tool to predict the geographic distribution of species. Even though many problems associated with this method have been highlighted and solutions have been proposed, little has been done to increase comparability among studies. We reviewed recent publications applying SDMs and found that seventy nine percent failed to report methods that ensure comparability among studies, such as disclosing the maximum probability range produced by the models and reporting on the number of species occurrences used. We modeled six species of Falco from northern Europe and demonstrate that model results are altered by (1 spatial bias in species' occurrence data, (2 differences in the geographic extent of the environmental data, and (3 the effects of transformation of model output to presence/absence data when applying thresholds. Depending on the modeling decisions, forecasts of the future geographic distribution of Falco ranged from range contraction in 80% of the species to no net loss in any species, with the best model predicting no net loss of habitat in Northern Europe. The fact that predictions of range changes in response to climate change in published studies may be influenced by decisions in the modeling process seriously hampers the possibility of making sound management recommendations. Thus, each of the decisions made in generating SDMs should be reported and evaluated to ensure conclusions and policies are based on the biology and ecology of the species being modeled.

  2. Predicting the fate of biodiversity using species' distribution models: enhancing model comparability and repeatability.

    Science.gov (United States)

    Rodríguez-Castañeda, Genoveva; Hof, Anouschka R; Jansson, Roland; Harding, Larisa E

    2012-01-01

    Species distribution modeling (SDM) is an increasingly important tool to predict the geographic distribution of species. Even though many problems associated with this method have been highlighted and solutions have been proposed, little has been done to increase comparability among studies. We reviewed recent publications applying SDMs and found that seventy nine percent failed to report methods that ensure comparability among studies, such as disclosing the maximum probability range produced by the models and reporting on the number of species occurrences used. We modeled six species of Falco from northern Europe and demonstrate that model results are altered by (1) spatial bias in species' occurrence data, (2) differences in the geographic extent of the environmental data, and (3) the effects of transformation of model output to presence/absence data when applying thresholds. Depending on the modeling decisions, forecasts of the future geographic distribution of Falco ranged from range contraction in 80% of the species to no net loss in any species, with the best model predicting no net loss of habitat in Northern Europe. The fact that predictions of range changes in response to climate change in published studies may be influenced by decisions in the modeling process seriously hampers the possibility of making sound management recommendations. Thus, each of the decisions made in generating SDMs should be reported and evaluated to ensure conclusions and policies are based on the biology and ecology of the species being modeled.

  3. Challenges in Modelling of Environmental Semantics

    NARCIS (Netherlands)

    Athanasiadis, I.N.

    2015-01-01

    Modelling environmental semantics is a prerequisite for model and data interoperabilty and reuse, both essential for integrated modelling. This paper previews a landscape where integrated modelling activities are performed in a virtual environmental information space, and identifies challenges impos

  4. A reactive transport model for mercury fate in soil--application to different anthropogenic pollution sources.

    Science.gov (United States)

    Leterme, Bertrand; Blanc, Philippe; Jacques, Diederik

    2014-11-01

    Soil systems are a common receptor of anthropogenic mercury (Hg) contamination. Soils play an important role in the containment or dispersion of pollution to surface water, groundwater or the atmosphere. A one-dimensional model for simulating Hg fate and transport for variably saturated and transient flow conditions is presented. The model is developed using the HP1 code, which couples HYDRUS-1D for the water flow and solute transport to PHREEQC for geochemical reactions. The main processes included are Hg aqueous speciation and complexation, sorption to soil organic matter, dissolution of cinnabar and liquid Hg, and Hg reduction and volatilization. Processes such as atmospheric wet and dry deposition, vegetation litter fall and uptake are neglected because they are less relevant in the case of high Hg concentrations resulting from anthropogenic activities. A test case is presented, assuming a hypothetical sandy soil profile and a simulation time frame of 50 years of daily atmospheric inputs. Mercury fate and transport are simulated for three different sources of Hg (cinnabar, residual liquid mercury or aqueous mercuric chloride), as well as for combinations of these sources. Results are presented and discussed with focus on Hg volatilization to the atmosphere, Hg leaching at the bottom of the soil profile and the remaining Hg in or below the initially contaminated soil layer. In the test case, Hg volatilization was negligible because the reduction of Hg(2+) to Hg(0) was inhibited by the low concentration of dissolved Hg. Hg leaching was mainly caused by complexation of Hg(2+) with thiol groups of dissolved organic matter, because in the geochemical model used, this reaction only had a higher equilibrium constant than the sorption reactions. Immobilization of Hg in the initially polluted horizon was enhanced by Hg(2+) sorption onto humic and fulvic acids (which are more abundant than thiols). Potential benefits of the model for risk management and remediation of

  5. A multimedia fate and chemical transport modeling system for pesticides: II. Model evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Li Rong; Yang Fuquan; Sloan, James J [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON, N2L 3G1 (Canada); Trevor Scholtz, M, E-mail: sloanj@connect.uwaterloo.ca [ORTECH Environmental, 2395 Speakman Drive, Mississauga, ON, L5K 1B3 (Canada)

    2011-07-15

    Pesticides have adverse health effects and can be transported over long distances to contaminate sensitive ecosystems. To address problems caused by environmental pesticides we developed a multimedia multi-pollutant modeling system, and here we present an evaluation of the model by comparing modeled results against measurements. The modeled toxaphene air concentrations for two sites, in Louisiana (LA) and Michigan (MI), are in good agreement with measurements (average concentrations agree to within a factor of 2). Because the residue inventory showed no soil residues at these two sites, resulting in no emissions, the concentrations must be caused by transport; the good agreement between the modeled and measured concentrations suggests that the model simulates atmospheric transport accurately. Compared to the LA and MI sites, the measured air concentrations at two other sites having toxaphene soil residues leading to emissions, in Indiana and Arkansas, showed more pronounced seasonal variability (higher in warmer months); this pattern was also captured by the model. The model-predicted toxaphene concentration fraction on particles (0.5-5%) agrees well with measurement-based estimates (3% or 6%). There is also good agreement between modeled and measured dry (1:1) and wet (within a factor of less than 2) depositions in Lake Ontario. Additionally this study identified erroneous soil residue data around a site in Texas in a published US toxaphene residue inventory, which led to very low modeled air concentrations at this site. Except for the erroneous soil residue data around this site, the good agreement between the modeled and observed results implies that both the US and Mexican toxaphene soil residue inventories are reasonably good. This agreement also suggests that the modeling system is capable of simulating the important physical and chemical processes in the multimedia compartments.

  6. BETR-World: a geographically explicit model of chemical fate: application to transport of {alpha}-HCH to the Arctic

    Energy Technology Data Exchange (ETDEWEB)

    Toose, L.; Woodfine, D.G.; MacLeod, M.; Mackay, D.; Gouin, J

    2004-03-01

    The Berkeley-Trent (BETR)-World model, a 25 compartment, geographically explicit fugacity-based model is described and applied to evaluate the transport of chemicals from temperate source regions to receptor regions (such as the Arctic). The model was parameterized using GIS and an array of digital data on weather, oceans, freshwater, vegetation and geo-political boundaries. This version of the BETR model framework includes modification of atmospheric degradation rates by seasonally variable hydroxyl radical concentrations and temperature. Degradation rates in all other compartments vary with seasonally changing temperature. Deposition to the deep ocean has been included as a loss mechanism. A case study was undertaken for {alpha}-HCH. Dynamic emission scenarios were estimated for each of the 25 regions. Predicted environmental concentrations showed good agreement with measured values for the northern regions in air, and fresh and oceanic water and with the results from a previous model of global chemical fate. Potential for long-range transport and deposition to the Arctic region was assessed using a Transfer Efficiency combined with estimated emissions. European regions and the Orient including China have a high potential to contribute {alpha}-HCH contamination in the Arctic due to high rates of emission in these regions despite low Transfer Efficiencies. Sensitivity analyses reveal that the performance and reliability of the model is strongly influenced by parameters controlling degradation rates. - A geographically explicit multi-compartment model is applied to the transport of {alpha}-HCH to the Arctic, showing Europe and the Orient are key sources.

  7. Environmental Observatories and Hydrologic Modeling

    Science.gov (United States)

    Hooper, R. P.; Duncan, J. M.

    2006-12-01

    During the past several years, the environmental sciences community has been attempting to design large- scale obsevatories that will transform the science. A watershed-based observatory has emerged as an effective landscape unit for a broad range of environmental sciences and engineering. For an effective observatory, modeling is a central requirement because models are precise statements of the hypothesized conceptual organization of watersheds and of the processes believed to be controlling hydrology of the watershed. Furthermore, models can serve to determine the value of existing data and the incremental value of any additional data to be collected. Given limited resources, such valuation is mandatory for an objective design of an observatory. Modeling is one part of a "digital watershed" that must be constructed for any observatory, a concept that has been developed by the CUAHSI Hydrologic Information Systems project. A digital watershed has three functions. First, it permits assembly of time series (such as stream discharge or precipitation measurements), static spatial coverages (such as topography), and dynamic fields (such as precipitation radar and other remotely sensed data). Second, based upon this common data description, a digital observatory permits multiple conceptualizations of the observatory to be created and to be stored. These conceptualizations could range from lumped box-and-arrow watershed models, to semi-distributed topographically based models, to three-dimensional finite element models. Finally, each conceptualization can lead to multiple models--that is, a set of equations that quantitatively describe hydrologic (or biogeochemical or geomorphologic) processes through libraries of tools that can be linked as workflow sequences. The advances in cyberinfrastructure that allow the storage of multiple conceptualizations and multiple model formulations of these conceptualizations promise to accelerate advances in environmental science both

  8. Sediment carbon fate in phreatic karst (Part 2): Numerical model development and application

    Science.gov (United States)

    Husic, A.; Fox, J.; Ford, W.; Agouridis, C.; Currens, J.; Taylor, C.

    2017-06-01

    The authors develop a numerical model to elucidate time-distributed processes controlling sediment carbon fate in phreatic karst. Sediment carbon processes simulated in the new numerical model include in-conduit erosion and deposition, sediment carbon transport, surficial fine grained laminae evolution, carbon pool mixing, microbial oxidation, and the understudied process of sediment carbon exchange during equilibrium transport. The authors perform a model evaluation procedure that includes generalized likelihood uncertainty estimation to quantify uncertainty of the model results. Modeling results suggest that phreatic karst conduits sustain sediment transport activity long after surface storm events cease. The sustained sediment transport has the potential to shift the baseflow sediment yield of the phreatic karst to be on par with stormflow sediment yield. The sustained activity is suggested to promote the exchange of sediment carbon between the water column and subsurface karst deposits during equilibrium sediment transport conditions. In turn, the sediment carbon exchange impacts the mixing of new and old carbon pools and the flux of carbon from phreatic karst. Integrated numerical model results from this study support the concept that phreatic karst act as a biologically active conveyor of sediment carbon that temporarily stores sediment, turns over carbon at higher rates than surface streams, and recharges degraded carbon back to the fluvial system. The numerical modeling method adopted in this paper shows the efficacy of coupling carbon isotope fingerprinting with water quality modeling to study sediment carbon in phreatic karst.

  9. Colloidal properties of nanoparticular biogenic selenium govern environmental fate and bioremediation effectiveness.

    Science.gov (United States)

    Buchs, Benjamin; Evangelou, Michael W H; Winkel, Lenny H E; Lenz, Markus

    2013-03-05

    Microbial selenium (Se) bioremediation is based on conversion of water soluble, toxic Se oxyanions to water insoluble, elemental Se. Formed biogenic elemental Se is of nanometer size, hampering straightforward separation from the aqueous phase. This study represents the first systematic investigation on colloidal properties of pure biogenic Se suspensions, linking electrophoretic mobility (ζ-potential) to column settling behavior. It was demonstrated that circumneutral pH, commonly applied in bioremediation, is not appropriate for gravitational separation due to the negative ζ-potential preventing agglomeration. Mono/di/trivalent counter cations and acidity (protons) were used to screen efficiently the intrinsic negative charge of biogenic Se suspensions at circumneutral pH. Fast settling was induced by La(3+) addition in the micromolar range (86.2 ± 3.5% within 0.5 h), whereas considerably higher concentrations were needed when Ca(2+) or Na(+) was used. Colloidal stability was furthermore studied in different model waters. It was demonstrated that surface waters as such represent a fragile system regarding colloidal stability of biogenic Se suspensions (ζ-potential ∼ -30 mV), whereas dissolved organic matter increases colloidal stability. In marine waters, biogenic Se is colloidally destabilized and is thus expected to settle, representing a potential sink for Se during transport in the aquatic environment.

  10. Risk assessment framework of fate and transport models applied to hazardous waste sites

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, S.T.

    1993-06-01

    Risk assessment is an increasingly important part of the decision-making process in the cleanup of hazardous waste sites. Despite guidelines from regulatory agencies and considerable research efforts to reduce uncertainties in risk assessments, there are still many issues unanswered. This paper presents new research results pertaining to fate and transport models, which will be useful in estimating exposure concentrations and will help reduce uncertainties in risk assessment. These developments include an approach for (1) estimating the degree of emissions and concentration levels of volatile pollutants during the use of contaminated water, (2) absorption of organic chemicals in the soil matrix through the skin, and (3) steady state, near-field, contaminant concentrations in the aquifer within a waste boundary.

  11. Workshop on Functional Requirements for the Modeling of Fate and Transport of Waterborne CBRN Materials

    Energy Technology Data Exchange (ETDEWEB)

    Giles, GE

    2005-02-03

    The purpose of this Workshop on ''Functional Requirements for the Modeling of Fate and Transport of Waterborne CBRN Materials'' was to solicit functional requirements for tools that help Incident Managers plan for and deal with the consequences of industrial or terrorist releases of materials into the nation's waterways and public water utilities. Twenty representatives attended and several made presentations. Several hours of discussions elicited a set of requirements. These requirements were summarized in a form for the attendees to vote on their highest priority requirements. These votes were used to determine the prioritized requirements that are reported in this paper and can be used to direct future developments.

  12. Environmental forecasting and turbulence modeling

    Science.gov (United States)

    Hunt, J. C. R.

    This review describes the fundamental assumptions and current methodologies of the two main kinds of environmental forecast; the first is valid for a limited period of time into the future and over a limited space-time ‘target’, and is largely determined by the initial and preceding state of the environment, such as the weather or pollution levels, up to the time when the forecast is issued and by its state at the edges of the region being considered; the second kind provides statistical information over long periods of time and/or over large space-time targets, so that they only depend on the statistical averages of the initial and ‘edge’ conditions. Environmental forecasts depend on the various ways that models are constructed. These range from those based on the ‘reductionist’ methodology (i.e., the combination of separate, scientifically based, models for the relevant processes) to those based on statistical methodologies, using a mixture of data and scientifically based empirical modeling. These are, as a rule, focused on specific quantities required for the forecast. The persistence and predictability of events associated with environmental and turbulent flows and the reasons for variation in the accuracy of their forecasts (of the first and second kinds) are now better understood and better modeled. This has partly resulted from using analogous results of disordered chaotic systems, and using the techniques of calculating ensembles of realizations, ideally involving several different models, so as to incorporate in the probabilistic forecasts a wider range of possible events. The rationale for such an approach needs to be developed. However, other insights have resulted from the recognition of the ordered, though randomly occurring, nature of the persistent motions in these flows, whose scales range from those of synoptic weather patterns (whether storms or ‘blocked’ anticyclones) to small scale vortices. These eigen states can be predicted

  13. A biogeochemical model of contaminant fate and transport in river waters and sediments.

    Science.gov (United States)

    Massoudieh, Arash; Bombardelli, Fabián A; Ginn, Timothy R

    2010-03-01

    A quasi-two-dimensional model is presented for simulating transport and transformation of contaminant species in river waters and sediments, taking into account the effect of both biotic and abiotic geochemical reactions on the contaminant fate and mobility. The model considers the downstream transport of dissolved and sediment-associated species, and the mass transfer with bed sediments due to erosion and resuspension, using linked advection-dispersion-reaction equations. The model also couples both equations to the reactive transport within bed sediment phases. This is done by the use of a set of vertical one-dimensional columns representing sediment layers that take into account the reactive transport of chemicals, burial, sorption/desorption to/from the solid phase, and the diffusive transport of aqueous species. Kinetically-controlled reversible solid-water mass exchange models are adopted to simulate interactions between suspended sediments and bulk water, as well as the mass exchange between bed sediments and pore water. An innovative multi-time step approach is used to model the fully kinetic nonlinear reaction terms using a non-iterative explicit method. This approach enables the model to handle fast and near-equilibrium reactions without a significant increase in computational burden. At the end, two demonstration cases are simulated using the model, including transport of a sorbing, non-reactive trace metal and nitrogen cycling, both in the Colusa Basin Drain in the Central Valley of California.

  14. Tracking the Spatial Fate of PCDD/F Emissions from a Cement Plant by Using Lichens as Environmental Biomonitors.

    Science.gov (United States)

    Augusto, Sofia; Pinho, Pedro; Santos, Artur; Botelho, Maria João; Palma-Oliveira, José; Branquinho, Cristina

    2016-03-01

    In an area with multiple sources of air pollution, it is difficult to evaluate the spatial impact of a minor source. Here, we describe the use of lichens to track minor sources of air pollution. The method was tested by transplanting lichens from a background area to the vicinity of a cement manufacturing plant that uses alternative fuel and is located in a Natural Park in an area surrounded by other important sources of pollution. After 7 months of exposure, the lichens were collected and analyzed for 17 PCDD/F congeners. The PCDD/F profiles of the exposed lichens were dominated by TCDF (50%) and OCDD (38%), which matched the profile of the emissions from the cement plant. The similarity in the profiles was greatest for lichens located northeast of the plant (i.e., in the direction of the prevailing winds during the study period), allowing us to evaluate the spatial impact of this source. The best match was found for sites located on the tops of mountains whose slopes faced the cement plant. Some of the sites with highest influence of the cement plant were the ones with the highest concentrations, whereas others were not. Thus, our newly developed lichen-based method provides a tool for tracking the spatial fate of industrially emitted PCDD/Fs regardless of their concentrations. The results showed that the method can be used to validate deposition models for PCDD/F industrial emissions in sites with several sources and characterized by complex orography.

  15. Testing and validating environmental models

    Science.gov (United States)

    Kirchner, J.W.; Hooper, R.P.; Kendall, C.; Neal, C.; Leavesley, G.

    1996-01-01

    Generally accepted standards for testing and validating ecosystem models would benefit both modellers and model users. Universally applicable test procedures are difficult to prescribe, given the diversity of modelling approaches and the many uses for models. However, the generally accepted scientific principles of documentation and disclosure provide a useful framework for devising general standards for model evaluation. Adequately documenting model tests requires explicit performance criteria, and explicit benchmarks against which model performance is compared. A model's validity, reliability, and accuracy can be most meaningfully judged by explicit comparison against the available alternatives. In contrast, current practice is often characterized by vague, subjective claims that model predictions show 'acceptable' agreement with data; such claims provide little basis for choosing among alternative models. Strict model tests (those that invalid models are unlikely to pass) are the only ones capable of convincing rational skeptics that a model is probably valid. However, 'false positive' rates as low as 10% can substantially erode the power of validation tests, making them insufficiently strict to convince rational skeptics. Validation tests are often undermined by excessive parameter calibration and overuse of ad hoc model features. Tests are often also divorced from the conditions under which a model will be used, particularly when it is designed to forecast beyond the range of historical experience. In such situations, data from laboratory and field manipulation experiments can provide particularly effective tests, because one can create experimental conditions quite different from historical data, and because experimental data can provide a more precisely defined 'target' for the model to hit. We present a simple demonstration showing that the two most common methods for comparing model predictions to environmental time series (plotting model time series

  16. 3D modelling of the transport and fate of riverine fine sediment exported to a semi-enclosed system

    Science.gov (United States)

    Delandmeter, Philippe; Lambrechts, Jonathan; Lewis, Stephen; Legat, Vincent; Deleersnijder, Eric; Wolanski, Eric

    2015-04-01

    Understanding the transport and fate of suspended sediment exported by rivers is crucial for the management of sensitive marine ecosystems. Sediment transport and fate can vary considerably depending on the geophysical characteristics of the offshore environment (i.e. open, semi-enclosed and enclosed systems and the nature of the continental shelf). In this presentation, we focus on a semi-enclosed setting in the Great Barrier Reef, NE Australia. In this system, the large tropical Burdekin River discharges to a long and narrow continental shelf containing numerous headlands and embayments. Using a new 3D sediment model we developed and SLIM 3D, a Finite Element 3D model for coastal flows, we highlight the key processes of sediment transport for such a system. We validate the model with available measured data from the region. Wind direction and speed during the high river flows are showed to largely control the dynamics and final fate of the sediments. Most (71%) of the sediment load delivered by the river is deposited and retained near the river mouth. The remaining sediment is transported further afield in riverine freshwater plumes. The suspended sediment transported longer distances in the freshwater plumes can reach sensitive marine ecosystems. These results are compared to previous studies on the Burdekin River sediment fate and differences are analysed. The model suggests that wind-driven resuspension events will redistribute sediments within an embayment but have little influence on transporting sediments from bay to bay.

  17. Fate of nano- and microplastic in freshwater systems: A modeling study

    NARCIS (Netherlands)

    Besseling, Ellen; Quik, Joris T.K.; Sun, Muzhi; Koelmans, Bart

    2017-01-01

    Riverine transport to the marine environment is an important pathway for microplastic. However, information on fate and transport of nano- and microplastic in freshwater systems is lacking. Here we present scenario studies on the fate and transport of nano-to millimetre sized spherical particles lik

  18. Modeling Nitrogen Fate and Transport at the Sediment-Water Interface

    Science.gov (United States)

    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...

  19. Fate of nano- and microplastic in freshwater systems: A modeling study

    NARCIS (Netherlands)

    Besseling, Ellen; Quik, Joris T.K.; Sun, Muzhi; Koelmans, Bart

    2017-01-01

    Riverine transport to the marine environment is an important pathway for microplastic. However, information on fate and transport of nano- and microplastic in freshwater systems is lacking. Here we present scenario studies on the fate and transport of nano-to millimetre sized spherical particles lik

  20. A modified QWASI model for fate and transport modeling of mercury between the water-ice-sediment in Lake Ulansuhai.

    Science.gov (United States)

    Liu, Yu; Li, Changyou; Anderson, Bruce; Zhang, Sheng; Shi, Xiaohong; Zhao, Shengnan

    2017-06-01

    Mercury contamination from industrial and agricultural drainage into lakes and rivers is a growing concern in Northern China. Lake Ulansuhai, located in Hetao irrigation district in Inner Mongolia, is the only sink for the all industrial and agricultural drainage and sole outlet for this district to the Yellow River, which is one of the main source of drinking water for the numerous cities and towns downstream. Because Ulansuahi is ice-covered during winter, the QWASI model was modified by adding an ice equation to get a more accurate understanding of the fate and transport of mercury within the lake. Both laboratory and field tests were carried out during the ice growth period. The aquivalence and mass balance approaches were used to develop the modified QWASI + ice model. The margins of error between the modelled and the measured average concentrations of Hg in ice, water, and sediment were 30%, 26.2%, and 19.8% respectively. These results suggest that the new QWASI + ice model could be used to more accurately represent the fate and transport of mercury in the seasonally ice-covered lakes, during the ice growth period.

  1. 137Cs off Fukushima Dai-ichi, Japan – model based estimates of dilution and fate

    Directory of Open Access Journals (Sweden)

    I. Kriest

    2012-06-01

    Full Text Available In the aftermath of an earthquake and tsunami on 11 March 2011 radioactive 137Cs was discharged from a damaged nuclear power plant to the sea off Fukushima Dai-ichi, Japan. Here we explore its dilution and fate with a state-of-the-art global ocean general circulation model, which is eddy-resolving in the region of interest. We find apparent consistency between our simulated circulation, estimates of 137Cs discharged ranging from 0.94 p Bq (Japanese Government, 2011 to 3.5 ± 0.7 p Bq (Tsumune et al., 2012, and measurements by Japanese authorities and the power plant operator. In contrast, our simulations are apparently inconsistent with the high 27 ± 15 p Bq discharge estimate of Bailly du Bois et al. (2012. Expressed in terms of a diffusivity we diagnose, from our simulations, an initial dilution on the shelf of 60 to 100 m2 s−1. The cross-shelf diffusivity is at 500 ± 300 m2 s−1 significantly higher and variable in time as indicated by its uncertainty. Expressed as an effective residence time of surface water on the shelf, the latter estimate transfers to 43 ± 16 days. As regards the fate of 137Cs, our simulations suggest that activities up to 4 mBq l−1 prevail in the Kuroshio-Oyashio Interfrontal Zone one year after the accident. This allows for low but detectable 0.1 to 0.3 m Bq l−1 entering the North Pacific Intermediate Water before the 137Cs signal is flushed away. The latter estimates concern the direct release to the sea only.

  2. Environmental Fate of Hydrazines

    Science.gov (United States)

    1989-12-01

    v/v. The absorbent cartridges removed trace gas contaminants , including remaining water and CO2 . Gas outlet-valves after each unit provided for air...largest kbkg was observed in Run A, presumably due to the interaction of hydrazine vapor with contamination on the chamber walls accumulated during its...64 UDMH Dry Air 2.8 19 13 1.1 a Ambirnt temperature, 50-75 ppm v/v initial concentrationb 24 m of added FEP c 14,700 ppm v/v water vapor Of these

  3. Modeling the Fate and Transport of Malathion in the Pagsanjan-Lumban Basin, Philippines

    Directory of Open Access Journals (Sweden)

    Mayzonee Ligaray

    2017-06-01

    Full Text Available Exposure to highly toxic pesticides could potentially cause cancer and disrupt the development of vital systems. Monitoring activities were performed to assess the level of contamination; however, these were costly, laborious, and short-term leading to insufficient monitoring data. However, the performance of the existing Soil and Water Assessment Tool (SWAT model can be restricted by its two-phase partitioning approach, which is inadequate when it comes to simulating pesticides with limited dataset. This study developed a modified SWAT pesticide model to address these challenges. The modified model considered the three-phase partitioning model that classifies the pesticide into three forms: dissolved, particle-bound, and dissolved organic carbon (DOC-associated pesticide. The addition of DOC-associated pesticide particles increases the scope of the pesticide model by also considering the adherence of pesticides to the organic carbon in the soil. The modified SWAT and original SWAT pesticide model was applied to the Pagsanjan-Lumban (PL basin, a highly agricultural region. Malathion was chosen as the target pesticide since it is commonly used in the basin. The pesticide models simulated the fate and transport of malathion in the PL basin and showed the temporal pattern of selected subbasins. The sensitivity analyses revealed that application efficiency and settling velocity were the most sensitive parameters for the original and modified SWAT model, respectively. Degradation of particulate-phase malathion were also significant to both models. The rate of determination (R2 and Nash-Sutcliffe efficiency (NSE values showed that the modified model (R2 = 0.52; NSE = 0.36 gave a slightly better performance compared to the original (R2 = 0.39; NSE = 0.18. Results from this study will be able to aid the government and private agriculture sectors to have an in-depth understanding in managing pesticide usage in agricultural watersheds.

  4. A model assessment of polychlorinated dibenzo-p-dioxin and dibenzofuran sources and fate in the Baltic Sea.

    Science.gov (United States)

    Armitage, James M; McLachlan, Michael S; Wiberg, Karin; Jonsson, Per

    2009-06-01

    The contamination of the Baltic Sea with polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) has resulted in restrictions on the marketing and consumption of Baltic Sea fish, making this a priority environmental issue in the European Union. To date there is no consensus on the relative importance of different sources of PCDD/Fs to the Baltic Sea, and hence no consensus on how to address this issue. In this work we synthesized the available information to create a PCDD/F budget for the Baltic Sea, focusing on the two largest basins, the Bothnian Sea and the Baltic Proper. The non-steady state multimedia fate and transport model POPCYCLING-Baltic was employed, using recent data for PCDD/F concentrations in air and sediment as boundary conditions. The PCDD/F concentrations in water predicted by the model were in good agreement with recent measurements. The budget demonstrated that atmospheric deposition was the dominant source of PCDD/Fs to the basins as a whole. This conclusion was supported by a statistical comparison of the PCDD/F congener patterns in surface sediments from accumulation bottoms with the patterns in ambient air, bulk atmospheric deposition, and a range of potential industrial sources. Prospective model simulations indicated that the PCDD/F concentrations in the water column will continue to decrease in the coming years due to the slow response of the Baltic Sea system to falling PCDD/F inputs in the last decades, but that the decrease would be more pronounced if ambient air concentrations were to drop further in the future, for instance as a result of reduced emissions. The study illustrates the usefulness of using monitoring data and multimedia models in an integrated fashion to address complex organic contaminant issues.

  5. Modeling the fate and transport of organic and nitrogen species in soil aquifer treatment process.

    Science.gov (United States)

    Kim, J W; Kim, J; Choi, H; Schwartz, F W

    2004-01-01

    Soil aquifer treatment (SAT) is a promising technique for wastewater reclamation and reuse. This treatment strategy takes advantage of physicochemical and biological processes in the subsurface. The model employed in this study is based on MODFLOW-SURFACT (HydroGeoLogic, Inc.), a three-dimensional model for variably saturated flow and reactive mass transport. The model accounts for reactions including the nitrification of ammonium, the denitrification of nitrate, and the oxidation of organic carbon. Concentration of dissolved oxygen and biomasses involved in aerobic and anaerobic biological reactions forms the basis for estimates of nonlinear reaction rates formulated using a multiple-Monod expression. Illustrative simulations were conducted in a two-dimensional cross-sectional domain, with unsaturated and saturated zones. They examine the effects that site and operational conditions have on the performance of a SAT system. The parameters and conditions of concern included length of the wet/dry cycle, ground surface condition, and infiltration rate. From the simulations, we found that organic carbon was effectively removed in all cases. The availability of oxygen was a key factor in predicting the production and removal of nitrate. Overall, the model successfully described the fate and transport of the key constituents during the wet/dry operational periods in both unsaturated and saturated subsurface.

  6. MAM-An Aquivalence-based Dynamic Mass Balance Model for the Fate of Non-Volatile Organic Chemicals in the Agricultural Environment

    Directory of Open Access Journals (Sweden)

    Mohammad A. Batiha

    2008-01-01

    Full Text Available A Multimedia Agricultural Model (MAM for predicting the fate and transport of Non-Volatile Organic Chemicals (NVOCs in the agricultural environment was presented. It is an expanded and modified version of the three compartmental model introduced by Batiha and co-authors in 2007, which is an aquivalence-based level IV. MAM considered five environmental compartments to include the air, water, soil, sediment and vegetation. It calculates the complete steady-state mass budgets for the air, water and particulate organic carbon between the model compartments. MAM compartments were connected by advective and intermedia transport processes. Degradation can take place in every compartment. The mass balances for each of the compartments result in a system of five differential equations, solved numerically to yield estimates of concentrations, masses, transport fluxes and reaction rates as a function of time. All the equations required for MAM calculations were provided.

  7. The OECD expert meeting on ecotoxicology and environmental fate — Towards the development of improved OECD guidelines for the testing of nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Kühnel, Dana, E-mail: dana.kuehnel@ufz.de [Helmholtz-Centre for Environmental Research — UFZ, Permoser Str. 15, 04318 Leipzig (Germany); Nickel, Carmen, E-mail: nickel@iuta.de [IUTA e.V., Air Quality and Sustainable Nanotechnology, Bliersheimer Str. 60, 47229 Duisburg (Germany)

    2014-02-01

    On behalf of the OECD Working Party on Manufactured Nanomaterials (WPMN) an expert meeting on ecotoxicology and environmental fate of nanomaterials (NMs) took place in January 2013 in Berlin. At this meeting experts from science, industry and regulatory bodies discussed the applicability of OECD test guidelines (TGs) for chemicals to nanomaterials. The objective was to discuss the current state of the relevant science and provide recommendations to the OECD WPMN on (1) the need for updating current OECD TGs and the need for developing new ones specific to nanomaterials; and (2) guidance needed for the appropriate and valid testing of environmental fate and ecotoxicity endpoints for NMs. Experts at the workshop agreed that the majority of the OECD TG for chemicals were generally applicable for the testing of NM, with the exception of TG 105 (water solubility) and 106 (adsorption-desorption). Additionally, the workshop also highlighted considerations when conducting OECD chemical TG on nanomaterials (e.g., sample preparation, dispersion, analysis, dosimetry and characterisation). These considerations will lead to the future development of proposals for new TG and guidance documents (GDs) to ensure that OECD TG give meaningful, repeatable, and accurate results when used for nanomaterials. This report provides a short overview of topics discussed during the meeting and the main outcomes. A more detailed report of the workshop will become available through the OECD, however, due to the urgency of having OECD TG relevant for nanomaterials, this brief report is being shared with the scientific community through this communication. - Highlights: • OECD test guidelines (TGs) were developed for the testing of conventional chemicals. • Need for discussion on applicability of current TGs to nanomaterials • An expert meeting addressing this issue was held. • The focus was on TGs covering ecotoxicology and environmental fate. • Recommendations for updating current OECD

  8. Fate of PBDEs in juvenile lake trout estimated using a dynamic multichemical fish model.

    Science.gov (United States)

    Bhavsar, Satyendra P; Gandhi, Nilima; Gewurtz, Sarah B; Tomy, Gregg T

    2008-05-15

    Biotransformation half-lives (HL) and gut absorption efficiencies (GAE) of PBDE congeners in fish are poorly known and challenging to quantify experimentally. These values are needed in order to accurately assess their food web dynamics, and in turn, for policy development We recently developed a multichemical aquatic food web model, which was used to estimate HL of four PBDE congeners in a simple Arctic food web. However, an application of this model to more complex food webs would dramatically increase the uncertainties in the results due to the large number of unknowns that would need to be considered simultaneously. As such, an in-depth analysis of possible HL and GAE of additional PBDE congeners at the scale of individual fish species would facilitate model application to more complex food webs. For this purpose, we developed a fugacity-based dynamic multichemical fish model and applied it to previously published experimental laboratory data. The model was calibrated by maximizing correspondence between the modeled and observed concentrations for each of the thirteen congeners at two dietary concentrations in juvenile lake trout (Salvelinus namaycush) during uptake and depuration phases mainly by varying HL and GAE. A robust parametrization and calibration procedure gave us confidence in our back-calculated congener-specific HL of 42-420 days and GAE of 20-45%. These values can be used as a starting point for model applications to natural fish populations. The fate/transport results suggest that not only loss of PBDE congeners via degradation, but also input through biotransformation of higher brominated congeners, should be accounted for in order to accurately portray dynamics of PBDEs in fish.

  9. Enantiomeric separation of organophosphorus pesticides by high-performance liquid chromatography, gas chromatography and capillary electrophoresis and their applications to environmental fate and toxicity assays.

    Science.gov (United States)

    Li, Ling; Zhou, Shanshan; Jin, Lixia; Zhang, Cheng; Liu, Weiping

    2010-05-15

    In recent years, the continuous evolution of the field of stereochemistry has produced a heightened awareness of the applications of pure enantiomers of agrochemicals. This review describes reports of the enantiomeric separation of commercial organophosphorus pesticides (OPs) and the applications of these methods to research on the enantioselectivity of the toxicity and environmental fate of these compounds. Chiral OPs can be analysed by high-performance liquid chromatography (HPLC), gas chromatography (GC), and capillary electrophoresis (CE). These different separation techniques for OP enantiomers are briefly discussed, and their applications are presented.

  10. Modelling the Release, Transport and Fate of Engineered Nanoparticles in the Aquatic Environment - A Review.

    Science.gov (United States)

    Markus, Adriaan A; Parsons, John R; Roex, Erwin W M; de Voogt, Pim; Laane, Remi W P M

    Engineered nanoparticles, that is, particles of up to 100 nm in at least one dimension, are used in many consumer products. Their release into the environment as a consequence of their production and use has raised concern about the possible consequences. While they are made of ordinary substances, their size gives them properties that are not manifest in larger particles. It is precisely these properties that make them useful. For instance titanium dioxide nanoparticles are used in transparent sunscreens, because they are large enough to scatter ultraviolet light but too small to scatter visible light.To investigate the occurrence of nanoparticles in the environment we require practical methods to detect their presence and to measure the concentrations as well as adequate modelling techniques. Modelling provides both a complement to the available detection and measurement methods and the means to understand and predict the release, transport and fate of nanoparticles. Many different modelling approaches have been developed, but it is not always clear for what questions regarding nanoparticles in the environment these approaches can be applied. No modelling technique can be used for every possible aspect of the release of nanoparticles into the environment. Hence it is important to understand which technique to apply in what situation. This article provides an overview of the techniques involved with their strengths and weaknesses. Two points need to be stressed here: the modelling of processes like dissolution and the surface activity of nanoparticles, possibly under influence of ultraviolet light, or chemical transformation has so far received relatively little attention. But also the uncertainties surrounding nanoparticles in general-the amount of nanoparticles used in consumer products, what constitutes the appropriate measure of concentration (mass or numbers) and what processes are relevant-should be explicitly considered as part of the modelling.

  11. Spatiotemporal Interpolation for Environmental Modelling

    Directory of Open Access Journals (Sweden)

    Ferry Susanto

    2016-08-01

    Full Text Available A variation of the reduction-based approach to spatiotemporal interpolation (STI, in which time is treated independently from the spatial dimensions, is proposed in this paper. We reviewed and compared three widely-used spatial interpolation techniques: ordinary kriging, inverse distance weighting and the triangular irregular network. We also proposed a new distribution-based distance weighting (DDW spatial interpolation method. In this study, we utilised one year of Tasmania’s South Esk Hydrology model developed by CSIRO. Root mean squared error statistical methods were performed for performance evaluations. Our results show that the proposed reduction approach is superior to the extension approach to STI. However, the proposed DDW provides little benefit compared to the conventional inverse distance weighting (IDW method. We suggest that the improved IDW technique, with the reduction approach used for the temporal dimension, is the optimal combination for large-scale spatiotemporal interpolation within environmental modelling applications.

  12. Spatiotemporal Interpolation for Environmental Modelling.

    Science.gov (United States)

    Susanto, Ferry; de Souza, Paulo; He, Jing

    2016-08-06

    A variation of the reduction-based approach to spatiotemporal interpolation (STI), in which time is treated independently from the spatial dimensions, is proposed in this paper. We reviewed and compared three widely-used spatial interpolation techniques: ordinary kriging, inverse distance weighting and the triangular irregular network. We also proposed a new distribution-based distance weighting (DDW) spatial interpolation method. In this study, we utilised one year of Tasmania's South Esk Hydrology model developed by CSIRO. Root mean squared error statistical methods were performed for performance evaluations. Our results show that the proposed reduction approach is superior to the extension approach to STI. However, the proposed DDW provides little benefit compared to the conventional inverse distance weighting (IDW) method. We suggest that the improved IDW technique, with the reduction approach used for the temporal dimension, is the optimal combination for large-scale spatiotemporal interpolation within environmental modelling applications.

  13. Fate and transport of mercury in soil systems : a numerical model in HP1 and sensitivity analysis

    Science.gov (United States)

    Leterme, Bertrand; Jacques, Diederik

    2013-04-01

    Mercury (Hg) poses threats for human health and the environment, notably due to its persistence and its ability to bioaccumulate in ecosystems. Anthropogenic activities are major contributors of mercury release to soils. Main sources of contamination include manufacturing (chlor-alkali plants, manometer spill), mine tailings from mercury, gold and silver mining industries, wood preservation. The objective of this study was to develop a reactive transport model for simulating mercury fate and transport in the unsaturated zone, and to gain insight in the fate and transport of Hg following anthropogenic soil contamination. The present work is done in the framework of the IMaHg project, which aims at providing recommendations to improve management of sites contaminated by mercury within the SNOWMAN funding framework. A model of mercury fate and transport in soil systems was developed using the reactive transport code HP1 (Jacques and Šimůnek, 2010). The geochemical database THERMODDEM (Blanc et al., 2012) is used, augmented with some speciation data from (Skyllberg, 2012). The main processes accounted for in the model are : Hg aqueous speciation (including complexation with dissolved organic matter (DOM) - humic and fulvic acids, and thiol groups), Hg sorption to solid organic matter (SOM), dissolution of solid phase Hg (e.g. cinnabar HgS(s)), dissolution of Hg non-aqueous liquid phase (NAPL), sunlight-driven Hg(II) reduction to Hg(0), Hg(0) diffusion in the gas phase and volatilization, DOM sorption to soil minerals. Colloid facilitated transport is implicitly accounted for by solute transport of Hg-DOM complexes. Because we focused on soil systems having a high Hg contamination, some processes showing relatively smaller Hg fluxes could be neglected such as vegetation uptake and atmospheric wet and dry deposition. NAPL migration and entrapment is not modelled, as pollution is assumed to be historical and only residual NAPL to be present. Mercury methylation and

  14. Arms race between selfishness and policing: two-trait quantitative genetic model for caste fate conflict in eusocial Hymenoptera.

    Science.gov (United States)

    Dobata, Shigeto

    2012-12-01

    Policing against selfishness is now regarded as the main force maintaining cooperation, by reducing costly conflict in complex social systems. Although policing has been studied extensively in social insect colonies, its coevolution against selfishness has not been fully captured by previous theories. In this study, I developed a two-trait quantitative genetic model of the conflict between selfish immature females (usually larvae) and policing workers in eusocial Hymenoptera over the immatures' propensity to develop into new queens. This model allows for the analysis of coevolution between genomes expressed in immatures and workers that collectively determine the immatures' queen caste fate. The main prediction of the model is that a higher level of polyandry leads to a smaller fraction of queens produced among new females through caste fate policing. The other main prediction of the present model is that, as a result of arms race, caste fate policing by workers coevolves with exaggerated selfishness of the immatures achieving maximum potential to develop into queens. Moreover, the model can incorporate genetic correlation between traits, which has been largely unexplored in social evolution theory. This study highlights the importance of understanding social traits as influenced by the coevolution of conflicting genomes. © 2012 The Author. Evolution© 2012 The Society for the Study of Evolution.

  15. Environmental model for a capital city

    Directory of Open Access Journals (Sweden)

    Claudia Eugenia Toca Torres

    2013-06-01

    Full Text Available From a review of the various options for modeling a sustainable development in its environmental dimension, this research proposes a model of environmental impact for Bogota, using the Vensim PLE software to model the pollution, the pollution load and soil contamination. The model includes a limited number of endogenous variables, as well as a greater number of exogenous variables. This modeling allows us to anticipate the environmental situation in the capital, in order to support public policies for addressing issues such as economic sanctions and moral regulations on emissions, discharges and waste, environmental measures and environmentally friendly practices

  16. Development of a multimedia model (POPsLTEA) to assess the influence of climate change on the fate and transport of polycyclic aromatic hydrocarbons in East Asia.

    Science.gov (United States)

    Song, Jee Hey; Lee, Yunah; Lee, Dong Soo

    2016-11-01

    A dynamic multimedia model (POPsLTEA) for an East Asia region was developed and evaluated to quantitatively assess how climate change (CC) alters the environmental fate and transport dynamics of 16 polycyclic aromatic hydrocarbons (PAHs) in air, water, soil, and sediment. To cover the entire model domain (25°N-50°N and 98°E-148°E) where China, Japan, and South and North Koreas are of primary concern, a total of 5000 main cells of 50km×50km size were used while 1008 cells of a finer spatial resolution (12.5km×12.5km) was nested for South Korea (33°N-38°N and 126°E-132°E). Most of the predicted concentrations agreed with the observed values within one order of magnitude with a tendency of overestimation for air and sediment. Prediction of the atmospheric concentration was statistically significant in both coincidence and association, suggesting the model's potential to successfully predict the fate and transport of the PAHs as influenced by CC. An example study of benzo(a)pyrene demonstrates that direction and strength of the CC influence on the pollution levels vary with the location and environmental media. As compared to the five year period of 2011 to 2015, the changes across the model domain in the annual geometric mean concentration over the years of 2021 through 2100 were predicted to range from 88% to 304%, from 84% to 109%, from 32% to 362%, and from 49% to 303%, in air, soil, surface water, and sea water, respectively, under the scenario of RCP8.5.

  17. Oceanographic and behavioural assumptions in models of the fate of coral and coral reef fish larvae.

    Science.gov (United States)

    Wolanski, Eric; Kingsford, Michael J

    2014-09-06

    A predictive model of the fate of coral reef fish larvae in a reef system is proposed that combines the oceanographic processes of advection and turbulent diffusion with the biological process of horizontal swimming controlled by olfactory and auditory cues within the timescales of larval development. In the model, auditory cues resulted in swimming towards the reefs when within hearing distance of the reef, whereas olfactory cues resulted in the larvae swimming towards the natal reef in open waters by swimming against the concentration gradients in the smell plume emanating from the natal reef. The model suggested that the self-seeding rate may be quite large, at least 20% for the larvae of rapidly developing reef fish species, which contrasted with a self-seeding rate less than 2% for non-swimming coral larvae. The predicted self-recruitment rate of reefs was sensitive to a number of parameters, such as the time at which the fish larvae reach post-flexion, the pelagic larval duration of the larvae, the horizontal turbulent diffusion coefficient in reefal waters and the horizontal swimming behaviour of the fish larvae in response to auditory and olfactory cues, for which better field data are needed. Thus, the model suggested that high self-seeding rates for reef fish are possible, even in areas where the 'sticky water' effect is minimal and in the absence of long-term trapping in oceanic fronts and/or large-scale oceanic eddies or filaments that are often argued to facilitate the return of the larvae after long periods of drifting at sea. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

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

    Science.gov (United States)

    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.

  19. Modeling the fate of a photoproduct of ketoprofen in urban rivers receiving wastewater treatment plant effluent.

    Science.gov (United States)

    Hanamoto, Seiya; Hasegawa, Eisuke; Nakada, Norihide; Yamashita, Naoyuki; Tanaka, Hiroaki

    2016-12-15

    Photoproducts of pharmaceuticals have been studied in order not to overlook their potential risks to aquatic organisms. However, no studies have verified an equation for predicting the fate of photoproducts in aquatic environment (Poiger equation) by field measurements, leaving uncertainties in its practical utility. Therefore, we conducted this study to test the applicability of the Poiger equation to 3-ethylbenzophenone (EBP), a photoproduct of ketoprofen (KTP). Photolysis experiments determined the fraction of KTP transformed into EBP as 0.744±0.074 and the quantum yield of EBP degradation as 0.000418±0.000090. Field studies in urban rivers and wastewater treatment plants (WWTPs) revealed that EBP was produced by sunlight, mainly in the rivers, but also appreciably in outdoor primary and secondary clarifiers in the WWTPs. We developed a model in the secondary clarifiers, disinfection tanks, and rivers by incorporating the Poiger equation, which was effective at predicting the concentrations of EBP in the river waters and wastewaters. Thus, our first trial of verification by field measurements enhanced the practical utility of the Poiger equation, though further study including several photoproducts should be conducted. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. MRI surveillance of cancer cell fate in a brain metastasis model after early radiotherapy.

    Science.gov (United States)

    Murrell, Donna H; Zarghami, Niloufar; Jensen, Michael D; Dickson, Fiona; Chambers, Ann F; Wong, Eugene; Foster, Paula J

    2017-10-01

    Incidence of brain metastasis attributed to breast cancer is increasing and prognosis is poor. It is thought that disseminated dormant cancer cells persist in metastatic organs and may evade treatments, thereby facilitating a mechanism for recurrence. Radiotherapy is used to treat brain metastases clinically, but assessment has been limited to macroscopic tumor volumes detectable by clinical imaging. Here, we use cellular MRI to understand the concurrent responses of metastases and nonproliferative or slowly cycling cancer cells to radiotherapy. MRI cell tracking was used to investigate the impact of early cranial irradiation on the fate of individual iron-labeled cancer cells and outgrowth of breast cancer brain metastases in the human MDA-MB-231-BR-HER2 cell model. Early whole-brain radiotherapy significantly reduced the outgrowth of metastases from individual disseminated cancer cells in treated animals compared to controls. However, the numbers of nonproliferative iron-retaining cancer cells in the brain were not significantly different. Radiotherapy, when given early in cancer progression, is effective in preventing the outgrowth of solitary cancer cells to brain metastases. Future studies of the nonproliferative cancer cells' clonogenic potentials are warranted, given that their persistent presence suggests that they may have evaded treatment. Magn Reson Med 78:1506-1512, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  1. Evaluation of environmental fate and sinks of PCDD/Fs during specific extreme weather events in Taiwan

    Science.gov (United States)

    Chi, Kai Hsien; Lin, Chuan-Yao; Ou Yang, Chang-Feng; Hsu, Shih Chieh; Chen, Ya Fang; Luo, Shangde; Kao, Shuh Ji

    2013-11-01

    Polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) are persistent organic pollutants (POPs) that are formed and released unintentionally from anthropogenic sources. The high persistence of PCDD/Fs results in the concentrations of these contaminants in environment decreasing only very slowly. Two transport pathways, air and water, carry PCDD/Fs into all regions of the world. Recently, more frequent extreme weather events, such as storms and floods, have been projected to occur as a result of global warming. Extreme weather events have a documented impact on the remobilization and subsequent bioavailability of POPs. In this study, three specific episodes, namely winter monsoon, southeast biomass burning and tropical cyclone (typhoon) events, which influence the environmental fate and transport of PCDD/Fs in Taiwan, were evaluated based on a climate change scenario. During the winter (northeast) monsoon period, the temperature and relative humidity observed in northern Taiwan decreases sharply. During this time, the quantity of PCDD/Fs adsorbed onto suspended particles, as observed at background sites, was found to increase from 300 ± 127 to 630 ± 115 pg I-TEQ g-TSP-1, which is even higher than that measured in Taipei City (438 ± 80 pg I-TEQ g-TSP-1). Hence, the winter monsoon not only brings cold air but also transports air pollutants and dust over long distances from mainland China to Taiwan. During the 2010 Southeast Asia biomass burning events (2010/3/22-3/28), the level of atmospheric PCDD/Fs were measured in central Taiwan (Mt. Lulin) and in the source region of northern Thailand (Chiang Mai); this revealed that the variations in atmospheric PCDD/F concentrations at these two sites followed a similar pattern. On 25 March 2010, the atmospheric PCDD/F concentration increased dramatically from 1.43 to 6.09 fg I-TEQ m-3 at Mt. Lulin and from 7.64 to 12.1 fg I-TEQ m-3 in northern Thailand. However, the atmospheric PCDD

  2. The OECD expert meeting on ecotoxicology and environmental fate--towards the development of improved OECD guidelines for the testing of nanomaterials.

    Science.gov (United States)

    Kühnel, Dana; Nickel, Carmen

    2014-02-15

    On behalf of the OECD Working Party on Manufactured Nanomaterials (WPMN) an expert meeting on ecotoxicology and environmental fate of nanomaterials (NMs) took place in January 2013 in Berlin. At this meeting experts from science, industry and regulatory bodies discussed the applicability of OECD test guidelines (TGs) for chemicals to nanomaterials. The objective was to discuss the current state of the relevant science and provide recommendations to the OECD WPMN on (1) the need for updating current OECD TGs and the need for developing new ones specific to nanomaterials; and (2) guidance needed for the appropriate and valid testing of environmental fate and ecotoxicity endpoints for NMs. Experts at the workshop agreed that the majority of the OECD TG for chemicals were generally applicable for the testing of NM, with the exception of TG 105 (water solubility) and 106 (adsorption-desorption). Additionally, the workshop also highlighted considerations when conducting OECD chemical TG on nanomaterials (e.g., sample preparation, dispersion, analysis, dosimetry and characterisation). These considerations will lead to the future development of proposals for new TG and guidance documents (GDs) to ensure that OECD TG give meaningful, repeatable, and accurate results when used for nanomaterials. This report provides a short overview of topics discussed during the meeting and the main outcomes. A more detailed report of the workshop will become available through the OECD, however, due to the urgency of having OECD TG relevant for nanomaterials, this brief report is being shared with the scientific community through this communication.

  3. Water quality, fate of metals and predictive model validation of a constructed wetland treating acid mine drainage

    Energy Technology Data Exchange (ETDEWEB)

    Mitsch, W.J.; Wise, K.M. [Ohio State University, Columbus, OH (United States). School of Natural Resources

    1998-06-01

    The paper describes how 0.39 ha constructed wetland designed with 9 cells, including two anaerobic cells that were to stimulate dissimilatory sulfate reduction, was evaluated for its effect on water quality of a low-order acid mine drainage (AMD) stream in southeastern Ohio, USA. Emphasis was on the uptake and fate of selected metals and the accuracy of a simulation model that predicted this specific wetland`s behavior before it was built.

  4. Avaliação do destino e bioacumulação de benzo(apireno através de simulação computacional Assessment of fate and bioaccumulation of benzo(apirene by computer modeling

    Directory of Open Access Journals (Sweden)

    Sandro Froehner

    2008-01-01

    Full Text Available The objective of this work was to evaluate the environmental distribution of benzo(apirene, a polycyclic aromatic hydrocarbon, by the EQC model. The modeling of the contaminant distribution was accomplished by means of the fugacity model applied to a hypothetical scenario constituted by air, water, soil and sediment. The modeling and simulations revealed that the soil is the preferential compartment. We also discuss the implications of the results about fate and ecological risks associated with benzo(apirene. We concluded that the emissions of HPAs can not be ignored and bioaccumulation among others risks can be induced.

  5. Numerical modeling of subsurface release and fate of benzene and toluene in coastal aquifers subjected to tides

    Science.gov (United States)

    Geng, Xiaolong; Boufadel, Michel C.; Cui, Fangda

    2017-08-01

    A numerical study was undertaken to investigate subsurface release and fate of benzene and toluene in a tidally influenced beach. The simulations were conducted by using a numerical model BIOMARUN, which coupled a multi-Monod kinetic model BIOB to a density-dependent variably saturated groundwater flow model MARUN. The fate and transport of the contaminant plume were characterized by computing its centroid trajectory, spreading area and percentage of biodegradation in beach saturated and unsaturated zone, respectively. Key factors likely affecting this process were investigated, including tide amplitude, capillarity and hydraulic conductivity. It was found that aerobic biodegradation was the major fate of the contaminant plume in the beach. Tidal action twisted the centroid of the contaminant plume during its migration in the beach, which increased the residence time of the plume in the beach. High tidal range significantly altered the spatial distribution of the contaminant biodegradation in the beach. In contrast, the capillary fringe had impacts on the percentage of benzene biodegraded in the saturated and unsaturated zone of the beach. The increase in capillary fringe enhanced the percentage of the contaminant biodegraded in the unsaturated zone, up to 40%, which is comparable to that in the saturated zone. Hydraulic conductivity seemed to have large impacts on the biodegradation rate of the contaminant in the beach. Higher hydraulic conductivity induced faster contaminant biodegradation in the beach.

  6. A pollution fate and transport model application in a semi-arid region: Is some number better than no number?

    Science.gov (United States)

    Özcan, Zeynep; Başkan, Oğuz; Düzgün, H Şebnem; Kentel, Elçin; Alp, Emre

    2017-10-01

    Fate and transport models are powerful tools that aid authorities in making unbiased decisions for developing sustainable management strategies. Application of pollution fate and transport models in semi-arid regions has been challenging because of unique hydrological characteristics and limited data availability. Significant temporal and spatial variability in rainfall events, complex interactions between soil, vegetation and topography, and limited water quality and hydrological data due to insufficient monitoring network make it a difficult task to develop reliable models in semi-arid regions. The performances of these models govern the final use of the outcomes such as policy implementation, screening, economical analysis, etc. In this study, a deterministic distributed fate and transport model, SWAT, is applied in Lake Mogan Watershed, a semi-arid region dominated by dry agricultural practices, to estimate nutrient loads and to develop the water budget of the watershed. To minimize the discrepancy due to limited availability of historical water quality data extensive efforts were placed in collecting site-specific data for model inputs such as soil properties, agricultural practice information and land use. Moreover, calibration parameter ranges suggested in the literature are utilized during calibration in order to obtain more realistic representation of Lake Mogan Watershed in the model. Model performance is evaluated using comparisons of the measured data with 95%CI for the simulated data and comparison of unit pollution load estimations with those provided in the literature for similar catchments, in addition to commonly used evaluation criteria such as Nash-Sutcliffe simulation efficiency, coefficient of determination and percent bias. These evaluations demonstrated that even though the model prediction power is not high according to the commonly used model performance criteria, the calibrated model may provide useful information in the comparison of the

  7. Environmental problems indicator under environmental modeling toward sustainable development

    Directory of Open Access Journals (Sweden)

    P. Sutthichaimethee

    2015-09-01

    Full Text Available This research aims to apply a model to the study and analysis of environmental and natural resource costs created in supply chains of goods and services produced in Thailand, and propose indicators for environmental problem management, caused by goods and services production, based on concepts of sustainable production and consumer behavior. The research showed that the highest environmental cost in terms of Natural Resource Materials was from pipelines and gas distribution, while the lowest was for farming coconuts. The highest environmental cost in terms of Energy and Transportation was for iron and steel. The highest environmental cost in the category of Fertilizer and Pesticides was for oil palm. For Sanitation Services, the highest environmental cost was movie theaters. Overall, the lowest environmental cost for all categories, except Natural Resource Materials, was for petroleum and refineries. Based on the cost index, coconut farming gained the highest Real Benefit to the farm owner, while pipelines and gas distribution had the lowest Real Benefit. If Thailand were to use a similar environmental problem indicator, it could be applied to formulate efficient policy and strategy for the country in three areas, namely social, economic, and environmental development.

  8. Modeling the fate of organic micropollutants during river bank filtration (Berlin, Germany).

    Science.gov (United States)

    Henzler, Aline F; Greskowiak, Janek; Massmann, Gudrun

    2014-01-01

    Emerging organic contaminants (EOCs) are frequently detected in urban surface water and the adjacent groundwater and are therefore an increasing problem for potable water quality. River bank filtration (RBF) is a beneficial pretreatment step to improve surface water quality for potable use. Removal is mainly caused by microbial degradation of micropollutants, while sorption retards the transport. The quantification of biodegradation and adsorption parameters for EOCs at field scale is still scarce. In this study, the fate and behavior of a range of organic compounds during RBF were investigated using a two dimensional numerical flow- and transport model. The data base used emanated from a project conducted in Berlin, Germany (NASRI: Natural and Artificial Systems for Recharge and Infiltration). Oxygen isotope signatures and hydraulic head data were used for model calibration. Afterwards, twelve organic micropollutants were simulated with a reactive transport model. Three compounds (primidone, EDTA, and AMDOPH) showed conservative behavior (no biodegradation or sorption). For the nine remaining compounds (1.5 NDSA, AOX, AOI, MTBE, carbamazepine, clindamycin, phenazone, diclofenac and sulfamethoxazole), degradation and/or sorption was observed. 1.5 NDSA and AOX were not sorbed, but slightly degraded with model results for λ=2.25e(-3) 1/d and 2.4e(-3) 1/d. For AOI a λ=0.0106 1/d and R=1 were identified. MTBE could be characterized well assuming R=1 and a low 1st order degradation rate constant (λ=0.0085 1/d). Carbamazepine degraded with a half life time of about 66 days after a threshold value of 0.2-0.3 μg/L was exceeded and retarded slightly (R=1.7). Breakthrough curves of clindamycin, phenazone, diclofenac and sulfamethoxazole could be fitted less well, probably due to the dependency of degradation on temperature and redox conditions, which are highly transient at the RBF site. Conditions range from oxic to anoxic (up to iron-reducing), with the oxic and

  9. Modelling the Fate of Ionizable Trace Organic Chemicals from Consumption to Food Crops

    DEFF Research Database (Denmark)

    Polesel, Fabio; Plósz, Benedek G.; Trapp, Stefan

    In this study, we developed and applied a simulation tool to comprehensively predict the fate of three ionizable trace chemicals (triclosan—TCS, furosemide—FUR, ciprofloxacin—CIP) from human consumption/excretion up to the accumulation in wheat, following application of sewage sludge or irrigation...

  10. Modeling Environmental Concern: Theory and Application.

    Science.gov (United States)

    Hackett, Paul M. W.

    1993-01-01

    Human concern for the quality and protection of the natural environment forms the basis of successful environmental conservation activities. Considers environmental concern research and proposes a model that incorporates the multiple dimensions of research through which environmental concern may be evaluated. (MDH)

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

    Science.gov (United States)

    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

  12. Characterization of the environmental fate of Bacillus thuringiensis var. kaurstaki (Btk) after pest eradication efforts in Seattle, WA and Fairfax county, VA

    Energy Technology Data Exchange (ETDEWEB)

    Ticknor, Lawrence [Los Alamos National Laboratory; Van Cuyk, Sheila M [Los Alamos National Laboratory; Deshpande, Alina [Los Alamos National Laboratory; Omberg, Kristin M [Los Alamos National Laboratory

    2008-01-01

    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 Btk 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.

  13. SimpleBox 2.0: a nested multimedia fate model for evaluating the environmental fate of chemicals

    NARCIS (Netherlands)

    Brandes LJ; den Hollander H; van de Meent D; ECO

    1996-01-01

    Technische details worden gegeven van SimpleBox 2.0, een 'genest' multimedia boxmodel van het 'Mackay type'. Het milieu is gemodelleerd als een verzameling goed gemengde, homogene compartimenten (lucht, zoet water, zee water, sedimenten, drie bodemcompartimenten en twee vegetat

  14. Pesticide and metabolite fate, release and transport modelling at catchment scale

    Science.gov (United States)

    Gaßmann, Matthias; Olsson, Oliver; Bauer, Melanie

    2010-05-01

    Pesticides are of great concern in hydrological catchments all over the world. On the one hand they are necessary to guarantee stable agricultural production for an increasing population. On the other hand they endanger life of aquatic animals and freshwater resources. However, not only pesticides but also their degradation products, the metabolites, are toxic to the environment, in some cases even more than the parent material. Thus, it is necessary to optimize pesticide application and management of agricultural land (e.g. grass strips, erosion prevention) with respect and according to their behaviour and degradation in hydrological catchments. Modelling provides a sound tool for assessing the impacts of pesticide management changes on pesticide behaviour at the field and in consecutively surface waters. Most of the various models available in literature do not consider metabolism. This study introduces an applicable integrated model assessing the fate and release of a pesticide and one metabolite at the field and in surface waters of a hydrological catchment. For the development of the field release model, the single-equation pesticide release formula by the OECD (2000) was used, which combines sorption and degradation in one equation. The part of the equation calculating the degradation forms the input of a second OECD equation representing the metabolite with its own parameters. A fraction can be specified describing how much of the degradation product is transferred to the specific metabolite. The river network is simulated with a further development of the MOHID River Network model (MRN). The integration of a pesticide type and a metabolite, with their degradation and volatilization processes are the main improvements of the hydrodynamic channel model. Following, the combined model was set up to the Israeli part of the Upper Jordan River basin, especially the Hula valley. According to the local hydrological conditions, a linear storage with a threshold was

  15. Accounting for Mass Transfer Kinetics when Modeling the Impact of Low Permeability Layers in a Groundwater Source Zone on Dissolved Contaminant Fate and Transport

    Science.gov (United States)

    2014-03-27

    Web: http://www.epa.gov/superfund/sites/rods/fulltext/e1098040. pdf InsideEPA.com. "EPA Seeks To Ease Groundwater Cleanup Policy Following NAS...PERMEABILITY LAYERS IN A GROUNDWATER SOURCE ZONE ON DISSOLVED CONTAMINANT FATE AND TRANSPORT THESIS James M. Bell, Captain, USAF AFIT-ENV-14-M-08...MODELING THE IMPACT OF LOW PERMEABILITY LAYERS IN A GROUNDWATER SOURCE ZONE ON DISSOLVED CONTAMINANT FATE AND TRANSPORT THESIS Presented

  16. Environmental Fate of the Herbicide Fluazifop-P-butyl and Its Degradation Products in Two Loamy Agricultural Soils: A Combined Laboratory and Field Study

    DEFF Research Database (Denmark)

    Badawi, Nora; Rosenbom, Anette E.; Olsen, Preben;

    2015-01-01

    The herbicide fluazifop-P-butyl (FPB) is used against grasses in agricultural crops such as potato, oilseed rape and sugar beet. Limited information is available in Scientific literature on its environmental fate, therefore extensive monitoring at two agricultural test fields was combined...... with laboratory studies to determine leaching and the underlying degradation and sorption processes. Water samples from drains, suction cups, and groundwater wells showed leaching of the degradation products fluazifop-P (FP) and 2- hydroxy-5-trifluoromethyl-pyridin (TFMP) following FPB treatment. Laboratory...... experiments with soil from each field revealed a rapid degradation of FPB to FP. The degradation was almost exclusively microbial, and further biodegradation to TFMP occurred at a slower rate. Both degradation products were sorbed to the two soils to a small extent and were fairly persistent to degradation...

  17. E. coli fate and transport in the Happel sphere-in-cell model

    Science.gov (United States)

    Nelson, K. E.; Massoudieh, A.; Ginn, T. R.

    2007-06-01

    Rates of mass and gene transfer reactions involving biotic phases are often expressed as proportional to local number densities of bacteria. When the reactions involve attached bacteria, reaction rates depend on local densities of bacteria attached to surfaces. Such may be the case with microbially-facilitated redox reactions involving mineral electron donors and mineral electron receivers (e.g., Sani RK, Peyton BM, Amonette JE, Dohnalkova A. Reoxidation of uranium in the presence of iron(III)-(hydr)oxides under sulfate reducing conditions. Environ Sci Technol 2005;39:2059-66), biofilm formation induced by quorum sensing (Purevdorj B, Costerton JW, Stoodley P. Influence of hydrodynamics and cell signaling on the structure and behavior of Pseudomonas aeruginosa Biofilms. Appl Environ Microbiol 2002;68(9):4457-64) and horizontal gene transfer among attached phase bacteria (Beaudoin DL, Bryers JD, Cunningham AB, Peretti SW. Mobilization of broad host range plasmid from Pseudomonas putida to established biofilm of Bacillus azotoformans. I. Experiments. Biotech Bioeng 1998a;57(3):272-79; Beaudoin DL, Bryers JD, Cunningham AB, Peretti SW. Mobilization of broad host range plasmid from Pseudomonas putida to established biofilm of Bacillus azotoformans. II. Modeling Biotech Bioeng 1998b;57(3):280-86). Here we use the conceptual Happel sphere-in-cell model to determine the microscopic distribution of attached bacteria on idealized spherical grains of porous media, assuming azimuthal symmetry. We extend a Lagrangian model of colloid filtration to investigate the effects of motility of Escherichia coli on attachment rate and on the attachment distribution as a function of location on grain surface. The hydrodynamics of the Happel model is implicitly 3D and represented in 2D polar coordinates under the assumption of axisymmetric flow, while the motility of the E. coli cells is explicitly 3D. The model incorporates the fate and transport processes of colloid filtration theory in

  18. A GIS-based approach for modeling the fate and transport of pollutants in Europe.

    Science.gov (United States)

    Pistocchi, A

    2008-05-15

    This paper presents an approach to estimate chemical concentration in multiple environmental media (soil, water, and the atmosphere) with the sole use of basic geographical information system (GIS) operations and, particularly, map algebra. This allows solving mass balance equations in a different way from the traditional methods involving numerical or analytical solution of systems of equations, producing maps of chemical fluxes and concentrations only through combinations of maps of emissions and environmental removal or transfer rates. Benchmarking with the well-established EMEP MSCE-POP model shows that the method provides consistent results with this more detailed description. When available, experimental evidence equally supports the proposed method in relation to the more complex approaches.

  19. A model library for dynamic transport and fate of micropollutants in integrated urban wastewater and stormwater systems

    DEFF Research Database (Denmark)

    Vezzaro, Luca; Benedetti, Lorenzo; Gevaert, Veerle

    2014-01-01

    for the elaboration of pollution control strategies (including both source control and treatment options) at the small spatial scale of urban areas. Existing and well-established water quality models for the different parts of the IUWS (e.g. ASM models) are extended by adding MP fate processes. These are modelled......The increasing efforts in reducing the emission of micropollutants (MP) into the natural aquatic environment require the development of modelling tools to support the decision making process. This article presents a library of dynamic modelling tools for estimating MP fluxes within Integrated Urban...... Wastewater and Stormwater system (IUWS – including drainage network, stormwater treatment units, wastewater treatment plants, sludge treatment, and the receiving water body). The models are developed by considering the high temporal variability of the processes taking place in the IUWS, providing a basis...

  20. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Li Rong; Yang Fuquan; Sloan, James J [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON N2L 3G1 (Canada); Scholtz, M Trevor, E-mail: sloanj@connect.uwaterloo.ca [ORTECH Environmental, 2395 Speakman Drive, Mississauga, ON L5K 1B3 (Canada)

    2011-07-15

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  1. A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

    Science.gov (United States)

    Li, Rong; Scholtz, M. Trevor; Yang, Fuquan; Sloan, James J.

    2011-07-01

    We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

  2. Models for transport and fate of carbon, nutrients and point source released radionuclides to an aquatic ecosystem

    Energy Technology Data Exchange (ETDEWEB)

    Kumblad, Linda [Stockholm Univ. (Sweden). Dept. of Systems Ecology; Kautsky, Ulrik [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)

    2004-09-01

    In this report three ecosystem models are described in terms of structure, initial data, and results. All models are dynamic, mass-balanced and describe the transport and fate of elements in an open aquatic ecosystem. The models are based on ecologically sound principles, provide model results with high resolution and transparency, and are constrained by the nutrient dynamics of the ecosystem itself. The processes driving the transport in all the models are both the biological processes such as primary production, consumption, respiration and excretion, and abiotic e.g. water exchange and air-sea exchange. The first model, the CNP-model, describes the distribution and fluxes of carbon and nutrients for the coastal ecosystem off Forsmark. The second model, the C-14 model, is an extension of the CNP-model and describes the transport and distribution of hypothetically released C-14 from the underground repository SFR-1 to the ecosystem above. The third model, the RN-model, is a generic radionuclide flow model that models the transport and distribution of radionuclides other than C-14 hypothetically discharged to the ecosystem. The model also analyses the importance of some radionuclide specific mechanisms for the radionuclide flow. The generic radionuclide model is also based on the CNP-model, but has radionuclide specific mechanisms connected to each compartment.

  3. Modelling importance of sediment effects on fate and transport of enterococci in the Severn Estuary, UK.

    Science.gov (United States)

    Gao, Guanghai; Falconer, Roger A; Lin, Binliang

    2013-02-15

    The paper detailed a water quality modelling study of a hyper-tidal estuary, undertaken to assess the impact of various bacteria input loads on the receiving waters in a coastal basin in the UK, by using the model developed in previous study of the same authors enterococci, used as the indicators for bathing water quality under the new European Union (EU) Bathing Water Directive, were numerically modelled using a hydro-environmental model. In particular, the numerical model used in this study includes the effects of sediment on bacteria transport processes in surface water. Finally, the importance of sediment bacteria inputs on the bathing water quality was also investigated under different weather and tidal condition. During spring tide, the bacteria input from the bed sediments are dominant for both wet and dry weather conditions. During neap tides and during dry weather conditions the inputs of bacteria from the bed sediment were still dominant, but during wet weather conditions the inputs from river were dominant. Under different tidal flow conditions some parameters had a more significant role than others. During high flow conditions the sediment re-suspensions processes were dominant, therefore the bed bacteria concentrations played a dominant role on the overall bacteria concentration levels in the water column. In contrast, during low flow conditions sediment deposition prevails and bacteria are removed from the water column. The partition coefficient was found to be more important than the bed bacteria concentrations, during low flow conditions.

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

    Directory of Open Access Journals (Sweden)

    Ueno Kazuko

    2009-04-01

    Full Text Available Abstract Background 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. Results 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

  5. A first European scale multimedia fate modelling of BDE-209 from 1970 to 2020.

    Science.gov (United States)

    Earnshaw, Mark R; Jones, Kevin C; Sweetman, Andy J

    2015-01-01

    The European Variant Berkeley Trent (EVn-BETR) multimedia fugacity model is used to test the validity of previously derived emission estimates and predict environmental concentrations of the main decabromodiphenyl ether congener, BDE-209. The results are presented here and compared with measured environmental data from the literature. Future multimedia concentration trends are predicted using three emission scenarios (Low, Realistic and High) in the dynamic unsteady state mode covering the period 1970-2020. The spatial and temporal distributions of emissions are evaluated. It is predicted that BDE-209 atmospheric concentrations peaked in 2004 and will decline to negligible levels by 2025. Freshwater concentrations should have peaked in 2011, one year after the emissions peak with sediment concentrations peaking in 2013. Predicted atmospheric concentrations are in good agreement with measured data for the Realistic (best estimate of emissions) and High (worst case scenario) emission scenarios. The Low emission scenario consistently underestimates measured data. The German unilateral ban on the use of DecaBDE in the textile industry is simulated in an additional scenario, the effects of which are mainly observed within Germany with only a small effect on the surrounding areas. Overall, the EVn-BTER model predicts atmospheric concentrations reasonably well, within a factor of 5 and 1.2 for the Realistic and High emission scenarios respectively, providing partial validation for the original emission estimate. Total mean MEC:PEC shows the High emission scenario predicts the best fit between air, freshwater and sediment data. An alternative spatial distribution of emissions is tested, based on higher consumption in EBFRIP member states, resulting in improved agreement between MECs and PECs in comparison with the Uniform spatial distribution based on population density. Despite good agreement between modelled and measured point data, more long-term monitoring datasets are

  6. Dynamical modeling of the cell cycle and cell fate emergence in Caulobacter crescentus.

    Directory of Open Access Journals (Sweden)

    César Quiñones-Valles

    Full Text Available The division of Caulobacter crescentus, a model organism for studying cell cycle and differentiation in bacteria, generates two cell types: swarmer and stalked. To complete its cycle, C. crescentus must first differentiate from the swarmer to the stalked phenotype. An important regulator involved in this process is CtrA, which operates in a gene regulatory network and coordinates many of the interactions associated to the generation of cellular asymmetry. Gaining insight into how such a differentiation phenomenon arises and how network components interact to bring about cellular behavior and function demands mathematical models and simulations. In this work, we present a dynamical model based on a generalization of the Boolean abstraction of gene expression for a minimal network controlling the cell cycle and asymmetric cell division in C. crescentus. This network was constructed from data obtained from an exhaustive search in the literature. The results of the simulations based on our model show a cyclic attractor whose configurations can be made to correspond with the current knowledge of the activity of the regulators participating in the gene network during the cell cycle. Additionally, we found two point attractors that can be interpreted in terms of the network configurations directing the two cell types. The entire network is shown to be operating close to the critical regime, which means that it is robust enough to perturbations on dynamics of the network, but adaptable to environmental changes.

  7. Dynamical modeling of the cell cycle and cell fate emergence in Caulobacter crescentus.

    Science.gov (United States)

    Quiñones-Valles, César; Sánchez-Osorio, Ismael; Martínez-Antonio, Agustino

    2014-01-01

    The division of Caulobacter crescentus, a model organism for studying cell cycle and differentiation in bacteria, generates two cell types: swarmer and stalked. To complete its cycle, C. crescentus must first differentiate from the swarmer to the stalked phenotype. An important regulator involved in this process is CtrA, which operates in a gene regulatory network and coordinates many of the interactions associated to the generation of cellular asymmetry. Gaining insight into how such a differentiation phenomenon arises and how network components interact to bring about cellular behavior and function demands mathematical models and simulations. In this work, we present a dynamical model based on a generalization of the Boolean abstraction of gene expression for a minimal network controlling the cell cycle and asymmetric cell division in C. crescentus. This network was constructed from data obtained from an exhaustive search in the literature. The results of the simulations based on our model show a cyclic attractor whose configurations can be made to correspond with the current knowledge of the activity of the regulators participating in the gene network during the cell cycle. Additionally, we found two point attractors that can be interpreted in terms of the network configurations directing the two cell types. The entire network is shown to be operating close to the critical regime, which means that it is robust enough to perturbations on dynamics of the network, but adaptable to environmental changes.

  8. A general model for binary cell fate decision gene circuits with degeneracy: indeterminacy and switch behavior in the absence of cooperativity.

    Directory of Open Access Journals (Sweden)

    Mircea Andrecut

    Full Text Available BACKGROUND: The gene regulatory circuit motif in which two opposing fate-determining transcription factors inhibit each other but activate themselves has been used in mathematical models of binary cell fate decisions in multipotent stem or progenitor cells. This simple circuit can generate multistability and explains the symmetric "poised" precursor state in which both factors are present in the cell at equal amounts as well as the resolution of this indeterminate state as the cell commits to either cell fate characterized by an asymmetric expression pattern of the two factors. This establishes the two alternative stable attractors that represent the two fate options. It has been debated whether cooperativity of molecular interactions is necessary to produce such multistability. PRINCIPAL FINDINGS: Here we take a general modeling approach and argue that this question is not relevant. We show that non-linearity can arise in two distinct models in which no explicit interaction between the two factors is assumed and that distinct chemical reaction kinetic formalisms can lead to the same (generic dynamical system form. Moreover, we describe a novel type of bifurcation that produces a degenerate steady state that can explain the metastable state of indeterminacy prior to cell fate decision-making and is consistent with biological observations. CONCLUSION: The general model presented here thus offers a novel principle for linking regulatory circuits with the state of indeterminacy characteristic of multipotent (stem cells.

  9. A General Model for Binary Cell Fate Decision Gene Circuits with Degeneracy: Indeterminacy and Switch Behavior in the Absence of Cooperativity

    Science.gov (United States)

    Andrecut, Mircea; Halley, Julianne D.; Winkler, David A.; Huang, Sui

    2011-01-01

    Background The gene regulatory circuit motif in which two opposing fate-determining transcription factors inhibit each other but activate themselves has been used in mathematical models of binary cell fate decisions in multipotent stem or progenitor cells. This simple circuit can generate multistability and explains the symmetric “poised” precursor state in which both factors are present in the cell at equal amounts as well as the resolution of this indeterminate state as the cell commits to either cell fate characterized by an asymmetric expression pattern of the two factors. This establishes the two alternative stable attractors that represent the two fate options. It has been debated whether cooperativity of molecular interactions is necessary to produce such multistability. Principal Findings Here we take a general modeling approach and argue that this question is not relevant. We show that non-linearity can arise in two distinct models in which no explicit interaction between the two factors is assumed and that distinct chemical reaction kinetic formalisms can lead to the same (generic) dynamical system form. Moreover, we describe a novel type of bifurcation that produces a degenerate steady state that can explain the metastable state of indeterminacy prior to cell fate decision-making and is consistent with biological observations. Conclusion The general model presented here thus offers a novel principle for linking regulatory circuits with the state of indeterminacy characteristic of multipotent (stem) cells. PMID:21625586

  10. Unravelling the fate of arsenic during re-oxidation of reduced wetland waters: Experimental constraints and environmental consequences

    Science.gov (United States)

    Pédrot, Mathieu; Dia, Aline; Davranche, Mélanie; Martin, Sébastien; Al-Sid-Cheikh, Maya; Gruau, Gérard

    2015-09-01

    The presence of arsenic(As)-bearing Fe(III) oxyhydroxides in wetland zones may threat water quality due to the reduction processes that affect these zones. These processes have indeed the potential of releasing As into the soil solutions, and ultimately into the nearby river network, being given the hydrological connectivity that exists between wetlands and rivers. The effective transport of the released As into the river network is however dependent on the behaviour of As during the re-oxidation process that will occur at the wetland-river boundary, which could immobilize the released As into neo-formed Fe(III) oxyhydroxides. One of the key questions is, however, which is the impact of the organic-rich nature of wetland waters on this neoformation, which could instead favour the development of highly mobile As-bearing, organomineral colloids. In this study, we evaluated this possibility by carrying out oxidation experiments on humic acid (HA)- and As(III)/Fe(II)-rich waters. The ultrafiltration results showed that the presence of organic molecules during Fe oxidation events played a major role in the hydrolysis reaction of Fe oxyhydroxides. When Fe microparticles were formed in the absence of HA, the occurrence of HA during Fe oxidation events promoted the formation of amorphous nanosize Fe phase diffusely embedded within the organic matrix. These mixed Fe-HA colloids constrained the fate and distribution of As. These results were confirmed by nanoSIMS images that showed As sorption onto and within Fe microparticles (> 0.2 μm) in the absence of HA. By contrast, with HA, results showed preferential incorporation of As in the bulk of Fe-HA colloids (< 0.2 μm) during their formation rather than surface adsorption onto these colloids.

  11. Environmental fate of metalaxyl and chlorothalonil applied to a bentgrass putting green under southern California climatic conditions.

    Science.gov (United States)

    Wu, L; Liu, G; Yates, M V; Green, R L; Pacheco, P; Gan, J; Yates, S R

    2002-04-01

    Putting greens usually receive high inputs of fertilizers and pesticides to meet the high demand for visual quality and to overcome the stress from close mowing and traffic. In this study, two commonly used fungicides, metalaxyl (methyl N-(methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate) and chlorothalonil (2,4,5,6-tetrachloro-1,3-benzenedicarbonitrile), were evaluated for their partitioning and persistence in a bentgrass (Agrostis palustris Huds) putting green under southern California climatic conditions. The putting green site was constructed according to the US Golf Association (USGA) specifications. Lysimeter assemblies installed at the center of each plot were used to monitor the leachate, flux chambers were used to measure volatilization, clippings were collected to determine the residues on grass, and soil cores were sampled to determine residues in the soil profile. Results showed that cumulative volatilization loss accounted for 0.10 and 0.02%, clipping removal 0.11 and 0.13%, and cumulative leaching 0.71 and 0.002% of the applied metalaxyl and chlorothalonil, respectively. The two fungicides were mainly found in the top 10 cm of the soil profile due to the high organic carbon content in the thatch and mat layers. The dissipation half-life was 1.4 days for metalaxyl and 4.9 days for chlorothalonil on grass, shorter than those found in agricultural fields. This study showed that, under normal turf management practices, the offsite transport of the parent fungicides was minimal. Future research should focus on investigating the fate and mobility of the metabolites of the fungicides.

  12. Modelling the fate of marine debris along a complex shoreline: Lessons from the Great Barrier Reef

    Science.gov (United States)

    Critchell, K.; Grech, A.; Schlaefer, J.; Andutta, F. P.; Lambrechts, J.; Wolanski, E.; Hamann, M.

    2015-12-01

    The accumulation of floating anthropogenic debris in marine and coastal areas has environmental, economic, aesthetic, and human health impacts. Until now, modelling the transport of such debris has largely been restricted to the large-scales of open seas. We used oceanographic modelling to identify potential sites of debris accumulation along a rugged coastline with headlands, islands, rocky coasts and beaches. Our study site was the Great Barrier Reef World Heritage Area that has an emerging problem with debris accumulation. We found that the classical techniques of modelling the transport of floating debris models are only moderately successful due to a number of unknowns or assumptions, such as the value of the wind drift coefficient, the variability of the oceanic forcing and of the wind, the resuspension of some floating debris by waves, and the poorly known relative contribution of floating debris from urban rivers and commercial and recreational shipping. Nevertheless the model was successful in reproducing a number of observations such as the existence of hot spots of accumulation. The orientation of beaches to the prevailing wind direction affected the accumulation rate of debris. The wind drift coefficient and the exact timing of the release of the debris at sea affected little the movement of debris originating from rivers but it affected measurably that of debris originating from ships. It was thus possible to produce local hotspot maps for floating debris, especially those originating from rivers. Such modelling can be used to inform local management decisions, and it also identifies likely priority research areas to more reliably predict the trajectory and landing points of floating debris.

  13. Dickkopf1 regulates fate decision and drives breast cancer stem cells to differentiation: an experimentally supported mathematical model.

    Directory of Open Access Journals (Sweden)

    Zvia Agur

    Full Text Available BACKGROUND: Modulation of cellular signaling pathways can change the replication/differentiation balance in cancer stem cells (CSCs, thus affecting tumor growth and recurrence. Analysis of a simple, experimentally verified, mathematical model suggests that this balance is maintained by quorum sensing (QS. METHODOLOGY/PRINCIPAL FINDINGS: To explore the mechanism by which putative QS cellular signals in mammary stem cells (SCs may regulate SC fate decisions, we developed a multi-scale mathematical model, integrating extra-cellular and intra-cellular signal transduction within the mammary tissue dynamics. Preliminary model analysis of the single cell dynamics indicated that Dickkopf1 (Dkk1, a protein known to negatively regulate the Wnt pathway, can serve as anti-proliferation and pro-maturation signal to the cell. Simulations of the multi-scale tissue model suggested that Dkk1 may be a QS factor, regulating SC density on the level of the whole tissue: relatively low levels of exogenously applied Dkk1 have little effect on SC numbers, whereas high levels drive SCs into differentiation. To verify these model predictions, we treated the MCF-7 cell line and primary breast cancer (BC cells from 3 patient samples with different concentrations and dosing regimens of Dkk1, and evaluated subsequent formation of mammospheres (MS and the mammary SC marker CD44(+CD24(lo. As predicted by the model, low concentrations of Dkk1 had no effect on primary BC cells, or even increased MS formation among MCF-7 cells, whereas high Dkk1 concentrations decreased MS formation among both primary BC cells and MCF-7 cells. CONCLUSIONS/SIGNIFICANCE: Our study suggests that Dkk1 treatment may be more robust than other methods for eliminating CSCs, as it challenges a general cellular homeostasis mechanism, namely, fate decision by QS. The study also suggests that low dose Dkk1 administration may be counterproductive; we showed experimentally that in some cases it can stimulate

  14. National environmental/economic infrastructure system model

    Energy Technology Data Exchange (ETDEWEB)

    Drake, R.H.; Hardie, R.W.; Loose, V.W.; Booth, S.R.

    1997-08-01

    This is the final report for a one-year Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The ultimate goal was to develop a new methodology for macroeconomic modeling applied to national environmental and economic problems. A modeling demonstration and briefings were produced, and significant internal technical support and program interest has been generated. External contacts with DOE`s Office of Environmental Management (DOE-EM), US State Department, and the US intelligence community were established. As a result of DOE-EM interest and requests for further development, this research has been redirected to national environmental simulations as a new LDRD project.

  15. Comparative modeling analyses of Cs-137 fate in the rivers impacted by Chernobyl and Fukushima accidents

    Energy Technology Data Exchange (ETDEWEB)

    Zheleznyak, M.; Kivva, S. [Institute of Environmental Radioactivity, Fukushima University (Japan)

    2014-07-01

    The consequences of two largest nuclear accidents of the last decades - at Chernobyl Nuclear Power Plant (ChNPP) (1986) and at Fukushima Daiichi NPP (FDNPP) (2011) clearly demonstrated that radioactive contamination of water bodies in vicinity of NPP and on the waterways from it, e.g., river- reservoir water after Chernobyl accident and rivers and coastal marine waters after Fukushima accident, in the both cases have been one of the main sources of the public concerns on the accident consequences. The higher weight of water contamination in public perception of the accidents consequences in comparison with the real fraction of doses via aquatic pathways in comparison with other dose components is a specificity of public perception of environmental contamination. This psychological phenomenon that was confirmed after these accidents provides supplementary arguments that the reliable simulation and prediction of the radionuclide dynamics in water and sediments is important part of the post-accidental radioecological research. The purpose of the research is to use the experience of the modeling activities f conducted for the past more than 25 years within the Chernobyl affected Pripyat River and Dnieper River watershed as also data of the new monitoring studies in Japan of Abukuma River (largest in the region - the watershed area is 5400 km{sup 2}), Kuchibuto River, Uta River, Niita River, Natsui River, Same River, as also of the studies on the specific of the 'water-sediment' {sup 137}Cs exchanges in this area to refine the 1-D model RIVTOX and 2-D model COASTOX for the increasing of the predictive power of the modeling technologies. The results of the modeling studies are applied for more accurate prediction of water/sediment radionuclide contamination of rivers and reservoirs in the Fukushima Prefecture and for the comparative analyses of the efficiency of the of the post -accidental measures to diminish the contamination of the water bodies. Document

  16. Modeling Fate and Transport of Rotavirus in Surface Flow by Integrating WEPP and a Pathogen Transport Model

    Science.gov (United States)

    Bhattarai, R.; Kalita, P. K.; Davidson, P. C.; Kuhlenschmidt, M. S.

    2012-12-01

    More than 3.5 million people die each year from a water related diseases in this world. Every 20 seconds, a child dies from a water-related illness. Even in a developed country like the United States, there have been at least 1870 outbreaks associated with drinking water during the period of 1920 to 2002, causing 883,806 illnesses. Most of these outbreaks are resulted due to the presence of microbial pathogens in drinking water. Rotavirus infection has been recognized as the most common cause of diarrhea in young children throughout the world. Laboratory experiments conducted at the University of Illinois have demonstrated that recovery of rotavirus has been significantly affected by climatic and soil-surface conditions like slope, soil types, and ground cover. The objective of this study is to simulate the fate and transport of Rotavirus in overland and near-surface flow using a process-based model. In order to capture the dynamics of sediment-bound pathogens, the Water Erosion Prediction Project (WEPP) is coupled with the pathogen transport model. Transport of pathogens in overland flow can be simulated mathematically by including terms for the concentration of the pathogens in the liquid phase (in suspension or free-floating) and the solid phase (adsorbed to the fine solid particles like clay and silt). Advection, adsorption, and decay processes are considered. The mass balance equations are solved using numerical technique to predict spatial and temporal changes in pathogen concentrations in two phases. Outputs from WEPP simulations (flow velocity, depth, saturated conductivity and the soil particle fraction exiting in flow) are transferred as input for the pathogen transport model. Three soil types and three different surface cover conditions have been used in the experimental investigations. Results from these conditions have been used in calibrating and validating the simulation results. Bare surface conditions have produced very good agreement between

  17. Monod kinetics rather than a first-order degradation model explains atrazine fate in soil mini-columns: implications for pesticide fate modelling.

    Science.gov (United States)

    Cheyns, K; Mertens, J; Diels, J; Smolders, E; Springael, D

    2010-05-01

    Pesticide transport models commonly assume first-order pesticide degradation kinetics for describing reactive transport in soil. This assumption was assessed in mini-column studies with associated batch degradation tests. Soil mini-columns were irrigated with atrazine in two intermittent steps of about 30 days separated by 161 days application of artificial rain water. Atrazine concentration in the effluent peaked to that of the influent concentration after initial break-through but sharply decreased while influx was sustained, suggesting a degradation lag phase. The same pattern was displayed in the second step but peak height and percentage of atrazine recovered in the effluent were lower. A Monod model with biomass decay was successfully calibrated to this data. The model was successfully evaluated against batch degradation data and mini-column experiments at lower flow rate. The study suggested that first-order degradation models may underestimate risk of pesticide leaching if the pesticide degradation potential needs amplification during degradation.

  18. Survey and discussion of models applicable to the transport and fate thrust area of the Department of Energy Chemical and Biological Nonproliferation Program

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-09-01

    The availability and easy production of toxic chemical and biological agents by domestic and international terrorists pose a serious threat to US national security, especially to civilian populations in and around urban areas. To address this threat, the Department of Energy (DOE) has established the Chemical and Biological Nonproliferation Program (CBNP) with the goal of focusing the DOE`s technical resources and expertise on capabilities to deny, deter, mitigate and respond to clandestine releases of chemical and biological agents. With the intent to build on DOE core competencies, the DOE has established six technology thrust areas within the CBNP Program: Biological Information Resources; Point Sensor Systems; Stand-off Detection; Transport and Fate; Decontamination; and Systems Analysis and Integration. The purpose of the Transport and Fate Thrust is to accurately predict the dispersion, concentration and ultimate fate of chemical and biological agents released into the urban and suburban environments and has two major goals: (1) to develop an integrated and validated state-of-the-art atmospheric transport and fate modeling capability for chemical and biological agent releases within the complex urban environment from the regional scale down to building and subway interiors, and (2) to apply this modeling capability in a broad range of simulation case studies of chemical and biological agent release scenarios in suburban, urban and confined (buildings and subways) environments and provide analysis for the incident response user community. Sections of this report discuss subway transport and fate models; buildings interior transport and fate modeling; models for flow and transport around buildings; and local-regional meteorology and dispersion models.

  19. SimpleTreat: a spreadsheet-based box model to predict the fate of xenobiotics in a municipal waste water treatment plant

    NARCIS (Netherlands)

    Struijs J; van de Meent D; Stoltenkamp J

    1991-01-01

    A non-equilibrium steady state box model is reported, that predicts the fate of new chemicals in a conventional sewage treatment plant from a minimal input data set. The model, written in an electronic spreadsheet (Lotus TM 123), requires a minimum input: some basic properties of the chemical, its

  20. Modelling the transformations, transport, and fate of organic and particulate matter off Southern California: Final report, August 1990-November 1992

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, G.A. [Texas A and M Univ., College Station, TX (United States). Department of Oceanography

    1992-11-01

    This project was part of the multi-investigator, multidisciplinary West Coast program to study the carbon flux in marine basins. there have been two major projects during the last year. The first has been to model the fate of a phytoplankton bloom by including only physical processes. The most important such process is coagulation, the formation of large aggregates by the multiple collision and sticking of smaller ones. The second major project has been the application of inverse techniques to study particle dynamics in the planktonic systems. by using inverse models which incorporate information from laboratory measurements as well as the actual field measurements, we have been estimating values for the unmeasured flows which are consistent with those field measurements that do exist and with laboratory measurements.

  1. Modelling environmental dynamics. Advances in goematic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Paegelow, Martin [Toulouse-2 Univ., 31 (France). GEODE UMR 5602 CNRS; Camacho Olmedo, Maria Teresa (eds.) [Granada Univ (Spain). Dpto. de Analisis Geografico Regional y Geografia Fisica

    2008-07-01

    Modelling environmental dynamics is critical to understanding and predicting the evolution of the environment in response to the large number of influences including urbanisation, climate change and deforestation. Simulation and modelling provide support for decision making in environmental management. The first chapter introduces terminology and provides an overview of methodological modelling approaches which may be applied to environmental and complex dynamics. Based on this introduction this book illustrates various models applied to a large variety of themes: deforestation in tropical regions, fire risk, natural reforestation in European mountains, agriculture, biodiversity, urbanism, climate change and land management for decision support, etc. These case studies, provided by a large international spectrum of researchers and presented in a uniform structure, focus particularly on methods and model validation so that this book is not only aimed at researchers and graduates but also at professionals. (orig.)

  2. Modelling Illicit Drug Fate in Sewers for Wastewater-Based Epidemiology

    DEFF Research Database (Denmark)

    Ramin, Pedram

    . After transport in sewers, these chemicals enter wastewater treatment plants (WWTPs). Monitoring campaigns are normally performed at WWTP influent to collect representative samples. Following quantitative chemical analysis, measured drug loads are used to estimate population-normalized parent drug......, are subject to physical, chemical or biological processes in sewers (fate processes). The occurrence of these processes may lead to significant change of drug loads at WWTP influent compared to source release points. Therefore, not accounting for these variations may negatively affect drug use estimates....... Sewer systems can be considered as biological reactors, in which the concentration of organic chemicals present in wastewater can be impacted by in-sewer processes during hydraulic residence time. Illicit drug biomarkers, as trace organic chemicals in the range of nanograms to micrograms per liter...

  3. The integrated environmental control model

    Energy Technology Data Exchange (ETDEWEB)

    Rubin, E.S.; Berkenpas, M.B.; Kalagnanam, J.R. [Carnegie Mellon Univ., Pittsburgh, PA (United States)

    1995-11-01

    The capability to estimate the performance and cost of emission control systems is critical to a variety of planning and analysis requirements faced by utilities, regulators, researchers and analysts in the public and private sectors. The computer model described in this paper has been developed for DOe to provide an up-to-date capability for analyzing a variety of pre-combustion, combustion, and post-combustion options in an integrated framework. A unique capability allows performance and costs to be modeled probabilistically, which allows explicit characterization of uncertainties and risks.

  4. Final Report Coupling in silico microbial models with reactive transport models to predict the fate of contaminants in the subsurface.

    Energy Technology Data Exchange (ETDEWEB)

    Lovley, Derek R.

    2012-10-31

    This project successfully accomplished its goal of coupling genome-scale metabolic models with hydrological and geochemical models to predict the activity of subsurface microorganisms during uranium bioremediation. Furthermore, it was demonstrated how this modeling approach can be used to develop new strategies to optimize bioremediation. The approach of coupling genome-scale metabolic models with reactive transport modeling is now well enough established that it has been adopted by other DOE investigators studying uranium bioremediation. Furthermore, the basic principles developed during our studies will be applicable to much broader investigations of microbial activities, not only for other types of bioremediation, but microbial metabolism in diversity of environments. This approach has the potential to make an important contribution to predicting the impact of environmental perturbations on the cycling of carbon and other biogeochemical cycles.

  5. Predictions of models for environmental radiological assessment

    Energy Technology Data Exchange (ETDEWEB)

    Peres, Sueli da Silva; Lauria, Dejanira da Costa, E-mail: suelip@ird.gov.br, E-mail: dejanira@irg.gov.br [Instituto de Radioprotecao e Dosimetria (IRD/CNEN-RJ), Servico de Avaliacao de Impacto Ambiental, Rio de Janeiro, RJ (Brazil); Mahler, Claudio Fernando [Coppe. Instituto Alberto Luiz Coimbra de Pos-Graduacao e Pesquisa de Engenharia, Universidade Federal do Rio de Janeiro (UFRJ) - Programa de Engenharia Civil, RJ (Brazil)

    2011-07-01

    In the field of environmental impact assessment, models are used for estimating source term, environmental dispersion and transfer of radionuclides, exposure pathway, radiation dose and the risk for human beings Although it is recognized that the specific information of local data are important to improve the quality of the dose assessment results, in fact obtaining it can be very difficult and expensive. Sources of uncertainties are numerous, among which we can cite: the subjectivity of modelers, exposure scenarios and pathways, used codes and general parameters. The various models available utilize different mathematical approaches with different complexities that can result in different predictions. Thus, for the same inputs different models can produce very different outputs. This paper presents briefly the main advances in the field of environmental radiological assessment that aim to improve the reliability of the models used in the assessment of environmental radiological impact. The intercomparison exercise of model supplied incompatible results for {sup 137}Cs and {sup 60}Co, enhancing the need for developing reference methodologies for environmental radiological assessment that allow to confront dose estimations in a common comparison base. The results of the intercomparison exercise are present briefly. (author)

  6. Tracing the fate of sulfamethoxazole and its metabolites in subsurface: conceptualization and modelling

    Science.gov (United States)

    Rodriguez-Escales, Paula; Sanchez-Vila, Xavier

    2016-04-01

    The degradation of low adsorptive SMX in subsurface porous media is spatially and temporally variable. It depends on various environmental factors such as in situ redox potential, availability of nutrients, local soil characteristics, and temperature. Its degradation is better under anoxic conditions and by co-metabolism processes. In this work, we first develop a conceptual model of degradation of SMX under different redox conditions (denitrification and iron reducing conditions), characterizing the metabolite formation in each condition, and second, we construct a mathematical model that allows reproducing different experiments of SMX degradation reported in the literature. The model was validated using the experimental data from Barbieri et al. (2012), Nödler et al. (2012) and Mohatt et al. (2011). The model reproduces the reversible degradation of SMX under the presence of nitrous acid as an intermediate product of denitrification (it is the conjugate acid of nitrite), as well as, the metabolite formation (4-nitro-SMX and desamino SMX). In those experiments degradation was mediated by the transient formation of a diazonium cation, which was considered responsible of the substitution of the amine radical by a nitro radical, forming the 4-nitro-SMX. On the other hand, both the diazonium compound and the methanol present in the experiment produced a deamination in the SMX, producing desamino-SMX. The formation of these metabolites was unstable and they were retransformed to SMX. Concerning the iron conditions, SMX was degraded due to the oxidation of iron (Fe2+), which was previously oxidized from goethite due to the degradation of a pool of labile organic carbon. As the oxidation of iron occurred on the goethite surface, the best model to reproduce the SMX reduction was a power law rate. Our work is an attempt to properly formulate the degradation process of an emerging compound considering the real degradation mechanisms, rather than using an upscaled black

  7. Improving Environmental Model Calibration and Prediction

    Science.gov (United States)

    2011-01-18

    groundwater model calibration. Adv. Water Resour., 29(4):605–623, 2006. [9] B.E. Skahill, J.S. Baggett, S. Frankenstein , and C.W. Downer. More efficient...of Hydrology, Environmental Modelling & Software, or Water Resources Research). Skahill, B., Baggett, J., Frankenstein , S., and Downer, C.W. (2009

  8. Environmental Fate of the Herbicide Fluazifop-P-butyl and Its Degradation Products in Two Loamy Agricultural Soils: A Combined Laboratory and Field Study.

    Science.gov (United States)

    Badawi, Nora; Rosenbom, Annette E; Olsen, Preben; Sørensen, Sebastian R

    2015-08-01

    The herbicide fluazifop-P-butyl (FPB) is used against grasses in agricultural crops such as potato, oilseed rape, and sugar beet. Limited information is available in scientific literature on its environmental fate, therefore extensive monitoring at two agricultural test fields was combined with laboratory studies to determine leaching and the underlying degradation and sorption processes. Water samples from drains, suction cups, and groundwater wells showed leaching of the degradation products fluazifop-P (FP) and 2-hydroxy-5-trifluoromethyl-pyridin (TFMP) following FPB treatment. Laboratory experiments with soil from each field revealed a rapid degradation of FPB to FP. The degradation was almost exclusively microbial, and further biodegradation to TFMP occurred at a slower rate. Both degradation products were sorbed to the two soils to a small extent and were fairly persistent to degradation during the two-month incubation period. Together, the field and laboratory results from this study showed that the biodegradation of FPB in loamy soils gave rise to the production of two major degradation products that sorbed to a small extent. In this study, both degradation products leached to drainage and groundwater during precipitation. It is therefore recommended that these degradation products be included in programs monitoring water quality in areas with FPB use.

  9. A Model Study of the Photochemical Fate of As(III in Paddy-Water

    Directory of Open Access Journals (Sweden)

    Luca Carena

    2017-03-01

    Full Text Available The APEX (Aqueous Photochemistry of Environmentally-occurring Xenobiotics software previously developed by one of us was used to model the photochemistry of As(III in paddy-field water, allowing a comparison with biotic processes. The model included key paddy-water variables, such as the shielding effect of the rice canopy on incident sunlight and its monthly variations, water pH, and the photochemical parameters of the chromophoric dissolved organic matter (CDOM occurring in paddy fields. The half-life times (t1/2 of As(III photooxidation to As(V would be ~20–30 days in May. In contrast, the photochemical oxidation of As(III would be much slower in June and July due to rice-canopy shading of radiation because of plant growth, despite higher sunlight irradiance. At pH < 8 the photooxidation of As(III would mainly be accounted for by reaction with transient species produced by irradiated CDOM (here represented by the excited triplet states 3CDOM*, neglecting the possibly more important reactions with poorly known species such as the phenoxy radicals and, to a lesser extent, with the hydroxyl radicals (HO•. However, the carbonate radicals (CO3•− could be key photooxidants at pH > 8.5 provided that the paddy-water 3CDOM* is sufficiently reactive toward the oxidation of CO32−. In particular, if paddy-water 3CDOM* oxidizes the carbonate anion with a second-order reaction rate constant near (or higher than 106 M−1·s−1, the photooxidation of As(III could be quite fast at pH > 8.5. Such pH conditions can be produced by elevated photosynthetic activity that consumes dissolved CO2.

  10. Modeling the metabolic fate of dietary phosphorus and calcium and the dynamics of body ash content in growing pigs.

    Science.gov (United States)

    Létourneau-Montminy, M P; Narcy, A; Dourmad, J Y; Crenshaw, T D; Pomar, C

    2015-03-01

    A better understanding of the fate of dietary P use by growing pigs will allow an optimization of P use and enhance sustainable practices. The optimization of P utilization is complicated by the multiple criteria, such as growth performance, bone mineralization, and manure P used for assessment of needs. Mathematical modeling is a useful tool to describe relevant biological mechanisms and predict relationships that describe the whole system behavior. Modeling allows development of robust multicriteria approaches to optimize P utilization, feeding cost, and manure application cost. This paper describes and evaluates a model developed to simulate the fate of dietary P, that is, to simulate its digestive and metabolic utilization through digestion, soft tissue, and ash modules. The digestion module takes into account the varied sources of dietary minerals including responses to microbial and plant phytase and Ca and P interactions and predicts absorption and fecal excretion. The soft tissue module simulates the growth of the protein and is based on InraPorc model principles. The ash module simulates the partitioning of absorbed Ca and P into the bone, protein, and lipid compartments as well as urinary excretion. Model behavior showed that the model was able to accurately represent the impact of Lys deficiency on P retention, of Ca and P imbalances, and of Ca and P depletion and repletion sequences. The model's prediction capabilities in simulating whole-body protein, Ca, P, and ash based on published data showed high accuracy, with a slope and intercept that did not differ from 1 and 0, respectively, and an error due to disturbance (ED; variance not accounted for by regression of observed on predicted values). The model's prediction capabilities in simulating balance trial data showed good accuracy for apparent total tract digestibility (ATTD) of P (observed = -0.77 + 1.06 predicted) and P retention coefficient (observed = -4.5 + 1.15 predicted) with an ED of 89% for

  11. The potential use of Chernobyl fallout data to test and evaluate the predictions of environmental radiological assessment models

    Energy Technology Data Exchange (ETDEWEB)

    Richmond, C.R.; Hoffman, F.O.; Blaylock, B.G.; Eckerman, K.F.; Lesslie, P.A.; Miller, C.W.; Ng, Y.C.; Till, J.E.

    1988-06-01

    The objectives of the Model Validation Committee were to collaborate with US and foreign scientists to collect, manage, and evaluate data for identifying critical research issues and data needs to support an integrated assessment of the Chernobyl nuclear accident; test environmental transport, human dosimetric, and health effects models against measured data to determine their efficacy in guiding decisions on protective actions and in estimating exposures to populations and individuals following a nuclear accident; and apply Chernobyl data to quantifications of key processes governing the environmental transport, fate and effects of radionuclides and other trace substances. 55 refs.

  12. Modeling interfacial liquid layers on environmental ices

    Directory of Open Access Journals (Sweden)

    M. H. Kuo

    2011-09-01

    Full Text Available Interfacial layers on ice significantly influence air-ice chemical interactions. In solute-containing aqueous systems, a liquid brine may form upon freezing due to the exclusion of impurities from the ice crystal lattice coupled with freezing point depression in the concentrated brine. The brine may be segregated to the air-ice interface where it creates a surface layer, in micropockets, or at grain boundaries or triple junctions.

    We present a model for brines and their associated liquid layers in environmental ice systems that is valid over a wide range of temperatures and solute concentrations. The model is derived from fundamental equlibrium thermodynamics and takes into account nonideal solution behavior in the brine, partitioning of the solute into the ice matrix, and equilibration between the brine and the gas phase for volatile solutes. We find that these phenomena are important to consider when modeling brines in environmental ices, especially at low temperatures. We demonstrate its application for environmentally important volatile and nonvolatile solutes including NaCl, HCl, and HNO3. The model is compared to existing models and experimental data from literature where available. We also identify environmentally relevant regimes where brine is not predicted to exist, but the QLL may significantly impact air-ice chemical interactions. This model can be used to improve the representation of air-ice chemical interactions in polar atmospheric chemistry models.

  13. The Fate of Pollutants in Porous Asphalt Pavements, Laboratory Experiments to Investigate Their Potential to Impact Environmental Health

    Directory of Open Access Journals (Sweden)

    Susanne M. Charlesworth

    2017-06-01

    Full Text Available Pervious Paving Systems (PPS are part of a sustainable approach to drainage in which excess surface water is encouraged to infiltrate through their structure, during which potentially toxic elements, such as metals and hydrocarbons are treated by biodegradation and physical entrapment and storage. However, it is not known where in the PPS structure these contaminants accumulate, which has implications for environmental health, particularly during maintenance, as well as consequences for the recycling of material from the PPS at the end-of-life. A 1 m3 porous asphalt (PA PPS test rig was monitored for 38 months after monthly additions of road sediment (RS (367.5 g in total and unused oil (430 mL in total, characteristic of urban loadings, were applied. Using a rainfall simulator, a typical UK rainfall rate of 15 mm/h was used to investigate its efficiency in dealing with contamination. Water quality of the effluent discharged from the rig was found to be suitable for discharge to most environments. On completion of the monitoring, a core was taken down through its surface, and samples of sediment and aggregate were taken. Analysis showed that most of the sediment remained in the surface course, with metal levels lower than the original RS, but higher than clean, unused aggregate or PA. However, even extrapolating these concentrations to 20 years’ worth of in-service use (the projected life of PPS did not suggest their accumulation would present an environmental pollution risk when carrying out maintenance of the pavement and also indicates that the material could be recycled at end-of-life.

  14. The Fate of Pollutants in Porous Asphalt Pavements, Laboratory Experiments to Investigate Their Potential to Impact Environmental Health.

    Science.gov (United States)

    Charlesworth, Susanne M; Beddow, Jamie; Nnadi, Ernest O

    2017-06-21

    Pervious Paving Systems (PPS) are part of a sustainable approach to drainage in which excess surface water is encouraged to infiltrate through their structure, during which potentially toxic elements, such as metals and hydrocarbons are treated by biodegradation and physical entrapment and storage. However, it is not known where in the PPS structure these contaminants accumulate, which has implications for environmental health, particularly during maintenance, as well as consequences for the recycling of material from the PPS at the end-of-life. A 1 m³ porous asphalt (PA) PPS test rig was monitored for 38 months after monthly additions of road sediment (RS) (367.5 g in total) and unused oil (430 mL in total), characteristic of urban loadings, were applied. Using a rainfall simulator, a typical UK rainfall rate of 15 mm/h was used to investigate its efficiency in dealing with contamination. Water quality of the effluent discharged from the rig was found to be suitable for discharge to most environments. On completion of the monitoring, a core was taken down through its surface, and samples of sediment and aggregate were taken. Analysis showed that most of the sediment remained in the surface course, with metal levels lower than the original RS, but higher than clean, unused aggregate or PA. However, even extrapolating these concentrations to 20 years' worth of in-service use (the projected life of PPS) did not suggest their accumulation would present an environmental pollution risk when carrying out maintenance of the pavement and also indicates that the material could be recycled at end-of-life.

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

    Science.gov (United States)

    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...

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

    Science.gov (United States)

    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.

  17. Single-cell RNA-seq and computational analysis using temporal mixture modelling resolves Th1/Tfh fate bifurcation in malaria

    Science.gov (United States)

    Lönnberg, Tapio; Svensson, Valentine; James, Kylie R.; Fernandez-Ruiz, Daniel; Sebina, Ismail; Montandon, Ruddy; Soon, Megan S. F.; Fogg, Lily G.; Nair, Arya Sheela; Liligeto, Urijah; Stubbington, Michael J. T.; Ly, Lam-Ha; Bagger, Frederik Otzen; Zwiessele, Max; Lawrence, Neil D.; Souza-Fonseca-Guimaraes, Fernando; Bunn, Patrick T.; Engwerda, Christian R.; Heath, William R.; Billker, Oliver; Stegle, Oliver; Haque, Ashraful; Teichmann, Sarah A.

    2017-01-01

    Differentiation of naïve CD4+ T cells into functionally distinct T helper subsets is crucial for the orchestration of immune responses. Due to extensive heterogeneity and multiple overlapping transcriptional programs in differentiating T cell populations, this process has remained a challenge for systematic dissection in vivo. By using single-cell transcriptomics and computational analysis using a temporal mixtures of Gaussian processes model, termed GPfates, we reconstructed the developmental trajectories of Th1 and Tfh cells during blood-stage Plasmodium infection in mice. By tracking clonality using endogenous TCR sequences, we first demonstrated that Th1/Tfh bifurcation had occurred at both population and single-clone levels. Next, we identified genes whose expression was associated with Th1 or Tfh fates, and demonstrated a T-cell intrinsic role for Galectin-1 in supporting a Th1 differentiation. We also revealed the close molecular relationship between Th1 and IL-10-producing Tr1 cells in this infection. Th1 and Tfh fates emerged from a highly proliferative precursor that upregulated aerobic glycolysis and accelerated cell cycling as cytokine expression began. Dynamic gene expression of chemokine receptors around bifurcation predicted roles for cell-cell in driving Th1/Tfh fates. In particular, we found that precursor Th cells were coached towards a Th1 but not a Tfh fate by inflammatory monocytes. Thus, by integrating genomic and computational approaches, our study has provided two unique resources, a database www.PlasmoTH.org, which facilitates discovery of novel factors controlling Th1/Tfh fate commitment, and more generally, GPfates, a modelling framework for characterizing cell differentiation towards multiple fates. PMID:28345074

  18. Geographical scenario uncertainty in generic fate and exposure factors of toxic pollutants for life-cycle impact assessment.

    Science.gov (United States)

    Huijbregts, M A J; Lundi, S; McKone, T E; van de Meent, D

    2003-05-01

    In environmental life-cycle assessments (LCA), fate and exposure factors account for the general fate and exposure properties of chemicals under generic environmental conditions by means of 'evaluative' multi-media fate and exposure box models. To assess the effect of using different generic environmental conditions, fate and exposure factors of chemicals emitted under typical conditions of (1). Western Europe, (2). Australia and (3). the United States of America were compared with the multi-media fate and exposure box model USES-LCA. Comparing the results of the three evaluative environments, it was found that the uncertainty in fate and exposure factors for ecosystems and humans due to choice of an evaluative environment, as represented by the ratio of the 97.5th and 50th percentile, is between a factor 2 and 10. Particularly, fate and exposure factors of emissions causing effects in fresh water ecosystems and effects on human health have relatively high uncertainty. This uncertainty is mainly caused by the continental difference in the average soil erosion rate, the dimensions of the fresh water and agricultural soil compartment, and the fraction of drinking water coming from ground water.

  19. Community Environmental Education as a Model for Effective Environmental Programmes

    Science.gov (United States)

    Blair, Morag

    2008-01-01

    The benefits of community environmental education outlined in environmental education literature are supported by the findings and implications of a research study undertaken in New Zealand. Evidence from a two-case case study suggests that environmental programmes guided by the key principles and practices of community environmental education,…

  20. Modeling Biphasic Environmental Decay of Pathogens and Implications for Risk Analysis.

    Science.gov (United States)

    Brouwer, Andrew F; Eisenberg, Marisa C; Remais, Justin V; Collender, Philip A; Meza, Rafael; Eisenberg, Joseph N S

    2017-02-21

    As the appreciation for the importance of the environment in infectious disease transmission has grown, so too has interest in pathogen fate and transport. Fate has been traditionally described by simple exponential decay, but there is increasing recognition that some pathogens demonstrate a biphasic pattern of decay-fast followed by slow. While many have attributed this behavior to population heterogeneity, we demonstrate that biphasic dynamics can arise through a number of plausible mechanisms. We examine the identifiability of a general model encompassing three such mechanisms: population heterogeneity, hardening off, and the existence of viable-but-not-culturable states. Although the models are not fully identifiable from longitudinal sampling studies of pathogen concentrations, we use a differential algebra approach to determine identifiable parameter combinations. Through case studies using Cryptosporidium and Escherichia coli, we show that failure to consider biphasic pathogen dynamics can lead to substantial under- or overestimation of disease risks and pathogen concentrations, depending on the context. More reliable models for environmental hazards and human health risks are possible with an improved understanding of the conditions in which biphasic die-off is expected. Understanding the mechanisms of pathogen decay will ultimately enhance our control efforts to mitigate exposure to environmental contamination.

  1. Toxicological Impacts of Pharmaceuticals and Personal Care Products on Water Quality: Environmental Fate, Transformation and Health Effects

    Science.gov (United States)

    Rubasinghege, G. R. S.; Rijal, H.; Gurung, R.; Maldonado-Torres, S.; Rogelj, S.; Piyasena, M.

    2016-12-01

    The growing medical and personal needs of the human population have escalated release of pharmaceuticals and personal care products (PPCPs) to the nature. The current work investigated abiotic degradation pathways of selected PPCPs in the presence of major mineral components of soil and the acute health effects of degraded PPCPs. Degradation of selected PPCPs (ibuprofen and clofibric acid) was carried out using custom-built glass reactors in batch studies. The secondary products of PPCPs were analyzed and identified using modified HPLC and LC-MS methods. Results from these studies showed that the extent of degradation depends on the type of the clay or mineral oxide, and solar radiation. In the absence of solar radiation (night time chemistry), the dominant reaction mechanism was observed to be the adsorption of PPCPs on to clay particles where surface functional groups and particle size play a key role. In contrast, under solar radiation, PPCPs break down to several fractions in the presence of clay particles. The decay rates were at least 3-fold higher for irradiated samples compared to that of dark conditions. Acute toxicity of selected PPCPs and their degradation products were tested on three microorganisms: gram-positive soil bacteria, Bacillus megaterium; gram-negative marine bacteria, Pseudoaltermonas atlantica; and algae from the Chlorella genus. Growth inhibition was measured using optical density measurements, MTT viability assay, and flow cytometer. The results suggest that the concentrations of primary compounds, Ibuprofen and Clofibric Acid, found in the environment that ranges from μg/L to ng/L are not sufficient to inhibit growth of either three microorganisms. However, selected organisms showed significant differences in sensitivity to degraded products. Results from current work advance our knowledge and understanding in the fields of environmental toxicology, chemistry in aqueous phases, and geochemistry.

  2. The fate of persistent organic pollutants in the North Sea. Multiple year model simulations of {gamma}-HCH, {alpha}-HCH and PCB 153

    Energy Technology Data Exchange (ETDEWEB)

    Ilyina, T.P. [Hawaii Univ., Manoa, Honolulu, HI (United States). Dept. of Oceanography

    2007-07-01

    Persistent organic pollutants (POPs) are harmful to human health and to the environment. Their fate in the marine environment is not yet fully understood. An ocean model (FANTOM) has been developed to investigate the fate of selected POPs in the North Sea. The main focus of the model is on quantifying the distribution of POPs and their aquatic pathways. This is the first time that a spatially-resolved, measurement-based ocean transport model has been used to study POP-like substances, at least on the regional scale. The model was applied for the southern North Sea and tested by studying the behaviour of g-HCH, a-HCH and PCB 153 in sea water. This model study proves that transport models, such as FANTOM, are capable of reproducing realistic multi-year temporal and spatial trends of selected POPs and can be used to address further scientific questions. (orig.)

  3. Parameters for the Evaluation of the Fate, Transport, and Environmental Impacts of Chemical Agents in Marine Environments

    Science.gov (United States)

    2007-07-01

    surface energy, adsorption , and surface catalysis vs. the adhesional work between organic liquids and water, J. Am. Chem. Soc., 1920, 42, 700-712. 141...Scand., 1958, 12, 783-785. 221 Desire, B.; Saint-Andre, S., Interaction of soman with - cyclodextrin , Fundam. Appl. Toxicol., 1986, 7(4), 646-657...sarin) with a- cyclodextrin : a model for enzyme inhibition, Rec. Trav. Chim. Pays Bas, 1970, 89, 289-299. 241 Epstein, J., Rate of decomposition of GB in

  4. Streamlining environmental product declarations: a stage model

    Science.gov (United States)

    Lefebvre, Elisabeth; Lefebvre, Louis A.; Talbot, Stephane; Le Hen, Gael

    2001-02-01

    General public environmental awareness and education is increasing, therefore stimulating the demand for reliable, objective and comparable information about products' environmental performances. The recently published standard series ISO 14040 and ISO 14025 are normalizing the preparation of Environmental Product Declarations (EPDs) containing comprehensive information relevant to a product's environmental impact during its life cycle. So far, only a few environmentally leading manufacturing organizations have experimented the preparation of EPDs (mostly from Europe), demonstrating its great potential as a marketing weapon. However the preparation of EPDs is a complex process, requiring collection and analysis of massive amounts of information coming from disparate sources (suppliers, sub-contractors, etc.). In a foreseeable future, the streamlining of the EPD preparation process will require product manufacturers to adapt their information systems (ERP, MES, SCADA) in order to make them capable of gathering, and transmitting the appropriate environmental information. It also requires strong functional integration all along the product supply chain in order to ensure that all the information is made available in a standardized and timely manner. The goal of the present paper is two fold: first to propose a transitional model towards green supply chain management and EPD preparation; second to identify key technologies and methodologies allowing to streamline the EPD process and subsequently the transition toward sustainable product development

  5. Simple models of assortment through environmental feedback.

    Science.gov (United States)

    Pepper, John W

    2007-01-01

    Social evolution depends critically on assortment, or segregation versus even mixing, between cooperators and noncooperators. Altruistic traits, which reduce the absolute fitness of their bearers, cannot evolve without positive assortment (excess segregation). The question of how positive assortment can arise has been controversial, but most evolutionary biologists believe that common descent is the only effective general mechanism. Here I investigate another recently proposed mechanism for generating nonrandom assortment, termed environmental feedback. This requires only that two forms of a trait affect the quality of the local environment differently in such a way that all individuals are more likely to leave low-quality locales. Experiments with simple computational models confirm that environmental feedback generates significant levels of genetic similarity among non-kin within locales. The mechanism is fairly general, and can under some conditions produce levels of genetic similarity comparable to those resulting from close genealogical relationship. Environmental feedback can also generate the negative assortment necessary for the evolution of spiteful traits. Environmental feedback is expected to create positive frequency-dependent selection, which thus favor any social trait that becomes common in the population. Results from this stylized model suggest that environmental feedback could be important in the evolution of both cooperation and spite, within as well as between species.

  6. INEEL Subregional Conceptual Model Report Volume 2: Summary of Existing Knowledge of Geochemical Influences on the Fate and Transport of Contaminants in the Subsurface at the INEEL

    Energy Technology Data Exchange (ETDEWEB)

    Paul L. Wichlacz; Robert C. Starr; Brennon Orr

    2003-09-01

    This document summarizes previous descriptions of geochemical system conceptual models for the vadose zone and groundwater zone (aquifer) beneath the Idaho National Engineering and Environmental Laboratory (INEEL). The primary focus is on groundwater because contaminants derived from wastes disposed at INEEL are present in groundwater, groundwater provides a pathway for potential migration to receptors, and because geochemical characteristics in and processes in the aquifer can substantially affect the movement, attenuation, and toxicity of contaminants. The secondary emphasis is perched water bodies in the vadose zone. Perched water eventually reaches the regional groundwater system, and thus processes that affect contaminants in the perched water bodies are important relative to the migration of contaminants into groundwater. Similarly, processes that affect solutes during transport from nearsurface disposal facilities downward through the vadose zone to the aquifer are relevant. Sediments in the vadose zone can affect both water and solute transport by restricting the downward migration of water sufficiently that a perched water body forms, and by retarding solute migration via ion exchange. Geochemical conceptual models have been prepared by a variety of researchers for different purposes. They have been published in documents prepared by INEEL contractors, the United States Geological Survey (USGS), academic researchers, and others. The documents themselves are INEEL and USGS reports, and articles in technical journals. The documents reviewed were selected from citation lists generated by searching the INEEL Technical Library, the INEEL Environmental Restoration Optical Imaging System, and the ISI Web of Science databases. The citation lists were generated using the keywords ground water, groundwater, chemistry, geochemistry, contaminant, INEL, INEEL, and Idaho. In addition, a list of USGS documents that pertain to the INEEL was obtained and manually searched

  7. Environmental fate of the fungicide metalaxyl in soil amended with composted olive-mill waste and its biochar: An enantioselective study.

    Science.gov (United States)

    Gámiz, Beatriz; Pignatello, Joseph J; Cox, Lucía; Hermosín, María C; Celis, Rafael

    2016-01-15

    A large number of pesticides are chiral and reach the environment as mixtures of optical isomers or enantiomers. Agricultural practices can affect differently the environmental fate of the individual enantiomers. We investigated how amending an agricultural soil with composted olive-mill waste (OMWc) or its biochar (BC) at 2% (w:w) affected the sorption, degradation, and leaching of each of the two enantiomers of the chiral fungicide metalaxyl. Sorption of metalaxyl enantiomers was higher on BC (Kd ≈ 145 L kg(-1)) than on OMWc (Kd ≈ 22 L kg(-1)) and was not enantioselective in either case, and followed the order BC-amended>OMWc-amended>unamended soil. Both enantiomers showed greater resistance to desorption from BC-amended soil compared to unamended and OMWc-amended soil. Dissipation studies revealed that the degradation of metalaxyl was more enantioselective (R>S) in unamended and OMWc-amended soil than in BC-amended soil. The leaching of both S- and R-metalaxyl from soil columns was almost completely suppressed after amending the soil with BC and metalaxyl residues remaining in the soil columns were more racemic than those in soil column leachates. Our findings show that addition of BC affected the final enantioselective behavior of metalaxyl in soil indirectly by reducing its bioavailability through sorption, and to a greater extent than OMWc. BC showed high sorption capacity to remove metalaxyl enantiomers from water, immobilize metalaxyl enantiomers in soil, and mitigate the groundwater contamination problems particularly associated with the high leaching potential of the more persistent enantiomer. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Energy-based models for environmental biotechnology.

    Science.gov (United States)

    Rodríguez, Jorge; Lema, Juan M; Kleerebezem, Robbert

    2008-07-01

    Environmental biotechnology is evolving. Current process objectives include the production of chemicals and/or energy carriers (biofuels) in addition to the traditional objective of removing pollutants from waste. To maximise product yields and minimise biomass production, future processes will rely on anaerobic microbial communities. Anaerobic processes are characterised by small Gibbs energy changes in the reactions catalysed, and this provides clear thermodynamic process boundaries. Here, a Gibbs-energy-based methodology is proposed for mathematical modelling of energy-limited anaerobic ecosystems. This methodology provides a basis for the description of microbial activities as a function of environmental factors, which will allow enhanced catalysis of specific reactions of interest for process development.

  9. Reliability of models that predict the fate of organic trace pollutants in municipal activated sludge plants

    NARCIS (Netherlands)

    Temmink, B.G.

    2001-01-01

    The production, use and disposal of many compounds inevitably leads to their presence in the environment as organic trace pollutants. Although their concentration may be low, these trace compounds can present an environmental hazard associated with their toxicity for human beings, their potential to

  10. Reliability of models that predict the fate of organic trace pollutants in municipal activated sludge plants

    NARCIS (Netherlands)

    Temmink, H.

    2001-01-01

    The production, use and disposal of many compounds inevitably leads to their presence in the environment as organic trace pollutants. Although their concentration may be low, these trace compounds can present an environmental hazard associated with their toxicity for human beings, their

  11. Modeling reveals bistability and low-pass filtering in the network module determining blood stem cell fate.

    Directory of Open Access Journals (Sweden)

    Jatin Narula

    2010-05-01

    Full Text Available Combinatorial regulation of gene expression is ubiquitous in eukaryotes with multiple inputs converging on regulatory control elements. The dynamic properties of these elements determine the functionality of genetic networks regulating differentiation and development. Here we propose a method to quantitatively characterize the regulatory output of distant enhancers with a biophysical approach that recursively determines free energies of protein-protein and protein-DNA interactions from experimental analysis of transcriptional reporter libraries. We apply this method to model the Scl-Gata2-Fli1 triad-a network module important for cell fate specification of hematopoietic stem cells. We show that this triad module is inherently bistable with irreversible transitions in response to physiologically relevant signals such as Notch, Bmp4 and Gata1 and we use the model to predict the sensitivity of the network to mutations. We also show that the triad acts as a low-pass filter by switching between steady states only in response to signals that persist for longer than a minimum duration threshold. We have found that the auto-regulation loops connecting the slow-degrading Scl to Gata2 and Fli1 are crucial for this low-pass filtering property. Taken together our analysis not only reveals new insights into hematopoietic stem cell regulatory network functionality but also provides a novel and widely applicable strategy to incorporate experimental measurements into dynamical network models.

  12. Environmental fate and dietary exposures of humans to TCDD as a result of the spraying of Agent Orange in upland forests of Vietnam.

    Science.gov (United States)

    Armitage, James M; Ginevan, Michael E; Hewitt, Andrew; Ross, John H; Watkins, Deborah K; Solomon, Keith R

    2015-02-15

    The fate and transport of 2,3,7,8-tetrachloro-p-dibenzodioxin (TCDD) released into the environment of South Vietnam (SVN) as a consequence of the aerial application of the herbicidal defoliant Agent Orange (AO) were simulated for a generic upland forest scenario and followed over a 50-year period (1965, 1968 and 1970 onwards). Modeled concentrations of TCDD in the environment were then used as inputs to a human exposure model, which focused on long-term exposures via the food chain. Intake rates and body burdens of TCDD were estimated for adult males over the course of the simulation period and compared to available biomonitoring data. One of the most important factors determining the magnitude of the simulated human exposure to TCDD was the fraction of the chemical deposited directly to soil (where it was assumed to have a degradation half-life of 10 or 15years) relative to the fraction assumed to remain on/in the forest canopy following the spray application (where it was assumed to have a degradation half-life of ≤48h). The simulated body burdens under the various scenarios considered were broadly consistent with the biomonitoring data from SVN collected in the mid-1980s to late 1990s. Taken together, the modeling results and empirical data suggest that highly elevated exposures to TCDD (i.e., body burdens in the several 100s of pg/g lipid range and greater) were not common among people inhabiting upland forest locations in SVN sprayed with AO and that peak and average body burdens were broadly similar to those of the general population of the U.S. in the 1970s and early 1980s. The model-based assessment is consistent with the 'hot spot' hypothesis i.e., potential exposures to TCDD linked to activities conducted on or near former bases where AO was stored are greater than potential exposures in areas subjected to aerial spraying.

  13. Fate of inorganic contaminants post treatment of acid mine drainage by cryptocrystalline magnesite: Complimenting experimental results with a geochemical model

    CSIR Research Space (South Africa)

    Masindi, V

    2016-03-01

    Full Text Available This study assessed the fate of inorganic contaminants post treatment of acid mine drainage by cryptocrystalline magnesite. To accomplish that, neutralization and metal attenuation were evaluated and complemented with simulations using geochemical...

  14. Evaluating the fate of p,p'-DDT in Tianjin, China using a non-steady-state multimedia fugacity model.

    Science.gov (United States)

    Li, Quanlin; Zhu, Tong; Qiu, Xinghua; Hu, Jianxin; Vighi, Marco

    2006-02-01

    Studies showed that DDT levels were still high in Tianjin, China, even though its use was banned in 1983. To estimate current risk of DDT to human health in Tianjin area, a non-steady-state (Level IV) multimedia fugacity model was used to simulate the fate and transfer of p,p'-DDT before and after the ban. The ordinary linear equations of Level IV model were solved with a matrix approach. The calculated p,p'-DDT concentration in air, water, soil, and sediment reached a maximum in the 1980s and then decreased, and agree well with those measured. The biggest bulk sinks of p,p'-DDT were soil and sediment, which accounted for 90% of total amount of p,p'-DDT in the environment. Air deposition and diffusions through the interfaces of water-air and water-sediment were the major intermedia transfer processes, while the degradation in soil and sediment were the key eliminating routes for p,p'-DDT in the environment.

  15. Environmental dependence in the ellipsoidal collapse model

    CERN Document Server

    Desjacques, Vincent

    2007-01-01

    N-body simulations have demonstrated a correlation between the properties of haloes and their environment. In this paper, we assess whether the ellipsoidal collapse model can produce a similar dependence. First, we explore the statistical correlation that originates from Gaussian initial conditions. We derive analytic expressions for a number of joint statistics of the shear tensor and estimate the sensitivity of the local characteristics of the shear to the global geometry of the large scale environment. Next, we concentrate on the dynamical aspect of the environmental dependence using a simplified model that takes into account the interaction between a collapsing halo and its environment. We find that the tidal force exerted by the surrounding mass distribution causes haloes embedded in overdense regions to virialize earlier. An effective density threshold whose shape depends on the large scale density provides a good description of this environmental effect. We show that, using this approach, a correlation...

  16. TRANSGENIC FISH MODEL IN ENVIRONMENTAL TOXICOLOGY

    Directory of Open Access Journals (Sweden)

    Madhuri Sharma

    2012-05-01

    Full Text Available A number of experiments and the use of drugs have been performed in fish. The fish may be used as model organism in various biological experiments, including environmental toxicology. Aquatic animals are being engineered to increase aquaculture production, for medical and industrial research, and for ornamental reasons. Fish have been found to play an important role in assessing potential risks associated with exposure to toxic substances in aquatic environment. Hence, it has been thought that the development of transgenic fish can enhance the use of fish in environmental toxicology. India has developed experimental transgenics of rohu fish, zebra fish, cat fish and singhi fish. Genes, promoters and vectors of indigenous origin are now available for only two species namely rohu and singhi for engineering growth. Development of fish model carrying identical transgenes to those found in rodents is beneficial and has shown that several aspects of in vivo mutagenesis are similar between the two classes of vertebrates. Fish shows the frequencies of spontaneous mutations similar to rodents and respond to mutagen exposure consistent with known mutagenic mechanisms. The feasibility of in vivo mutation analysis using transgenic fish has been demonstrated and the potential value of transgenic fish as a comparative animal model has been illustrated. Therefore, the transgenic fish can give the significant contribution to study the environmental toxicity in animals as a whole.

  17. Models for transport and fate of carbon, nutrients and radionuclides in the aquatic ecosystem at Oeregrundsgrepen

    Energy Technology Data Exchange (ETDEWEB)

    Erichsen, Anders Christian; Moehlenberg, Flemming; Closter, Rikke Margrethe; Sandberg, Johannes (DHI, Hoersholm (Denmark))

    2010-06-15

    The aim of the work was to provide supplementary input to the risk assessment of a planned final nuclear waste repository at Forsmark. The main deliverable was a computed water exchange between basins in the Forsmark marine area for the period 6500 BC to 9000 AD - based on the hydrodynamic modelling - to be used as input to the landscape dose model. In addition and what is described in this report, a second deliverable was development and application of high-resolution models for the marine ecosystem and radionuclide processes. The purpose of this deliverable was to illustrate the spatial and temporal variation in important processes and parameters, while constituting a complement to previous modelling approaches and providing supporting information to discussions of the marine ecosystem, parameters and variation (see Chapter 4 and 6).To this end, a hydrodynamic model of high temporal and spatial resolution was constructed and calibrated for the Forsmark area. An ecosystem model was then developed and coupled to the hydrodynamic model. In turn, a detailed radionuclide model was coupled to the ecosystem model to provide detailed predictions of radionuclide transport and accumulation in the coastal ecosystem. The ecosystem and radionuclide models were developed in the equation solver MIKE ECOLab that links seamless to the MIKE3 FM hydrodynamic model. The 'standard' ECOLab ecosystem model was extended with six biological state variables, perennial macroalgae, benthic herbivors, detritus feeders, planktivorus fish and, benthic predators representing the relict isopod Saduria and cod. In contrast to the ecosystem model, the radionuclide model was developed from scratch but building on the structure of the ecosystem model and using the output (process rates linking state variables) from the ecosystem model as input to the radionuclide model. Both the ecosystem model and the radionuclide model were run for several years (5-8 years) to bring state variables into

  18. Development of a mercury speciation, fate, and biotic uptake (BIOTRANSPEC) model: Application to Lahontan Reservoir (Nevada, USA)

    Science.gov (United States)

    Gandhi, N.; Bhavsar, S.P.; Diamond, M.L.; Kuwabara, J.S.; Marvin-DiPasquale, M.; Krabbenhoft, D.P.

    2007-01-01

    A mathematically linked mercury transport, speciation, kinetic, and simple biotic uptake (BIOTRANSPEC) model has been developed. An extension of the metal transport and speciation (TRANSPEC) model, BIOTRANSPEC estimates the fate and biotic uptake of inorganic (Hg(II)), elemental (Hg(0)) and organic (MeHg) forms of mercury and their species in the dissolved, colloidal (e.g., dissolved organic matter [DOM]), and particulate phases of surface aquatic systems. A pseudo-steady state version of the model was used to describe mercury dynamics in Lahontan Reservoir (near Carson City, NV, USA), where internal loading of the historically deposited mercury is remobilized, thereby maintaining elevated water concentrations. The Carson River is the main source of total mercury (THg), of which more than 90% is tightly bound in a gold-silver-mercury amalgam, to the system through loadings in the spring, with negligible input from the atmospheric deposition. The speciation results suggest that aqueous species are dominated by Hg-DOM, Hg(OH)2, and HgClOH. Sediment-to-water diffusion of MeHg and Hg-DOM accounts for approximately 10% of total loadings to the water column. The water column acts as a net sink for MeHg by reducing its levels through two competitive processes: Uptake by fish, and net MeHg demethylation. Although reservoir sediments produce significant amounts of MeHg (4 g/d), its transport from sediment to water is limited (1.6 g/d), possibly because of its adsorption on metal oxides of iron and manganese at the sediment-water interface. Fish accumulate approximately 45% of the total MeHg mass in the water column, and 9% of total MeHg uptake by fish leaves the system because of fishing. Results from this new model reiterate the previous conclusion that more than 90% of THg input is retained in sediment, which perpetuates elevated water concentrations. ?? 2007 SETAC.

  19. Modeling the fate of Escherichia coli O157:H7 and Salmonella enterica in the agricultural environment: current perspective.

    Science.gov (United States)

    Ongeng, Duncan; Haberbeck, Leticia U; Mauriello, Gianluigi; Ryckeboer, Jaak; Springael, Dirk; Geeraerd, Annemie H

    2014-04-01

    The significance of fresh vegetable consumption on human nutrition and health is well recognized. Human infections with Escherichia coli O157:H7 and Salmonella enterica linked to fresh vegetable consumption have become a serious public health problem inflicting a heavy economic burden. The use of contaminated livestock wastes such as manure and manure slurry in crop production is believed to be one of the principal routes of fresh vegetable contamination with E. coli O157:H7 and S. enterica at preharvest stage because both ruminant and nonruminant livestock are known carriers of E. coli O157:H7 and S. enterica in the environment. A number of challenge-testing studies have examined the fate of E. coli O157:H7 and S. enterica in the agricultural environment with the view of designing strategies for controlling vegetable contamination preharvest. In this review, we examined the mathematical modeling approaches that have been used to study the behavior of E. coli O157:H7 and S. enterica in the manure, manure-amended soil, and in manure-amended soil-plant ecosystem during cultivation of fresh vegetable crops. We focused on how the models have been applied to fit survivor curves, predict survival, and assess the risk of vegetable contamination preharvest. The inadequacies of the current modeling approaches are discussed and suggestions for improvements to enhance the applicability of the models as decision tools to control E. coli O157:H7 and S. enterica contamination of fresh vegetables during primary production are presented.

  20. Numerical modelling on fate and transport of petroleum hydrocarbons in an unsaturated subsurface system for varying source scenario

    Indian Academy of Sciences (India)

    M Berlin; M Vasudevan; G Suresh Kumar; Indumathi M Nambi

    2015-04-01

    The vertical transport of petroleum hydrocarbons from a surface spill through an unsaturated subsurface system is of major concern in assessing the vulnerability of groundwater contamination. A realistic representation on fate and transport of volatile organic compounds at different periods after spill is quite challenging due to the variation in the source behaviour at the surface of spill as well as the variation in the hydrodynamic parameters and the associated inter-phase partitioning coefficients within the subsurface. In the present study, a one dimensional numerical model is developed to simulate the transport of benzene in an unsaturated subsurface system considering the effect of volatilization, dissolution, adsorption and microbial degradation of benzene for (i) constant continuous source, (ii) continuous decaying source, and (iii) residual source. The numerical results suggest that volatilization is the important sink for contaminant removal considering the soil air migration within the unsaturated zone. It is also observed that the coupled effect of dissolution and volatilization is important for the decaying source at the surface immediately after the spill, whereas rate-limited dissolution from residually entrapped source is responsible for the extended contamination towards later period.

  1. Amyloid-β alters the DNA methylation status of cell-fate genes in an Alzheimer's disease model.

    Science.gov (United States)

    Taher, Noor; McKenzie, Courtney; Garrett, Rebecca; Baker, Matthew; Fox, Nena; Isaacs, Gary D

    2014-01-01

    Alzheimer's disease (AD) is characterized by neurofibrillary tangles and extracellular amyloid-β plaques (Aβ). Despite ongoing research, some ambiguity remains surrounding the role of Aβ in the pathogenesis of this neurodegenerative disease. While several studies have focused on the mutations associated with AD, our understanding of the epigenetic contributions to the disease remains less clear. To that end, we determined the changes in DNA methylation in differentiated human neurons with and without Aβ treatment. DNA was isolated from neurons treated with Aβ or vehicle, and the two samples were digested with either a methylation-sensitive (HpaII) or a methylation-insensitive (MspI) restriction endonuclease. The fragments were amplified and co-hybridized to a commercial promoter microarray. Data analysis revealed a subset of genomic loci that shows a significant change in DNA methylation following Aβ treatment in comparison to the control group. After mapping these loci to nearby genes, we discovered high enrichment for cell-fate genes that control apoptosis and neuronal differentiation. Finally, we incorporated three of those genes in a possible model suggesting the means by which Aβ contributes to the brain shrinkage and memory loss seen in AD.

  2. Modelling Illicit Drug Fate in Sewers for Wastewater-Based Epidemiology

    DEFF Research Database (Denmark)

    Ramin, Pedram

    prevailing in sewers and were operated over 14 months. Abiotic transformation (e.g., hydrolysis) was also evaluated using mineral water and sorption to suspended solids and biofilms were additionally assessed. Overall, two sets of experiments were performed and used for model calibration and model validation...

  3. Modeling the Fate of Expiratory Aerosols and the Associated Infection Risk in an Aircraft Cabin Environment

    DEFF Research Database (Denmark)

    Wan, M.P.; To, G.N.S.; Chao, C.Y.H.

    2009-01-01

    The transport and deposition of polydispersed expiratory aerosols in an aircraft cabin were simulated using a Lagrangian-based model validated by experiments conducted in an aircraft cabin mockup. Infection risk by inhalation was estimated using the aerosol dispersion data and a model was developed...

  4. Process description of NUSWALITE : a simplified model for the fate of nutrients in surface waters

    NARCIS (Netherlands)

    Siderius, C.; Groenendijk, P.; Jeuken, M.H.J.L.; Smit, A.A.M.F.R.

    2009-01-01

    Mathematical models predicting nitrogen and phosphorus concentrations in surface waters can be useful tools to evaluate measures combating eutrophication. NUSWALITE is a water quality model to predict the nutrient concentrations in high spatial and temporal detail for catchments and ‘polder areas’.

  5. A model based on soil structural aspects describing the fate of genetically modified bacteria in soil

    NARCIS (Netherlands)

    Hoeven, van der N.; Elsas, van J.D.; Heijnen, C.E.

    1996-01-01

    A computer simulation model was developed which describes growth and competition of bacteria in the soil environment. In the model, soil was assumed to contain millions of pores of a few different size classes. An introduced bacterial strain, e.g. a genetically modified micro-organism (GEMMO), was a

  6. A model based on soil structural aspects describing the fate of genetically modified bacteria in soil

    NARCIS (Netherlands)

    Hoeven, van der N.; Elsas, van J.D.; Heijnen, C.E.

    1996-01-01

    A computer simulation model was developed which describes growth and competition of bacteria in the soil environment. In the model, soil was assumed to contain millions of pores of a few different size classes. An introduced bacterial strain, e.g. a genetically modified micro-organism (GEMMO), was a

  7. Monitoring and modeling the fate of commonly used pesticides in surface water of the Lower Mekong Delta

    Science.gov (United States)

    van Toan, Pham; Sebesvari, Zita; Loan, Vo Phuong Hong; Renaud, Fabrice

    2010-05-01

    Introduction: The Lower Mekong Delta, one of the largest agricultural areas in Southeast Asia, has been reported to be increasingly polluted by agrochemicals since the beginning of the transformation processes in Vietnamese economy and specifically in the agricultural sector in 1986 (MRCS, 2007; Dasgupta et al., 2005; Dung, 2003; Phuong, 2003). Although pesticides have contributed significantly to enhancing agricultural productivity, these agrochemicals also have created risks to human health and environment (Margni, 2001; Phuong, 2003; Dasgupta et al., 2005) and lead to value loss of water resources (Phuong, 2003). While prohibited persistent organic pollutants such as HCHs and DDTs, were monitored and still detected in the Lower Mekong Delta in recent studies (Minh et al., 2007, Carvalho et al., 2008) little data exist on water pollution by recently used pesticides in the Delta. Aiming to fill this information gap, a study comprising three components was set up at two study sites of the Delta. Pesticide use and management was investigated through surveys and participatory rural appraisals with farmers; pesticide residue concentrations were determined in field outflows, connected irrigation canals and in drinking water and finally pesticide fate was predicted by using a coupled MIKE 11/ MIKE SHE model. This abstract focuses on the work done in the field of pesticide monitoring. The western study site (An Long Commune, Dong Thap province) represented an agricultural pattern with two intensive paddy rice crops per year and was heavily affected by flood in the rainy season. The second site located in the central part of the Delta (Ba Lang ward, Can Tho City) was characterized by a mix of paddy rice, vegetables and fruit trees. Fifteen pesticide compounds (buprofezin, butachlor, cypermethrin, difenozonazol, α-endosulfan, β-endosulfan, endosulfan-sulfate, fenobucarb, fipronil, hexaconazol, isoprothiolane, pretilachlor, profenofos, propanil, and propiconazol) were

  8. Chlorine fate and transport in drinking water distribution systems: Results from experimental and modeling studies

    Institute of Scientific and Technical Information of China (English)

    Robert M. Clark

    2011-01-01

    It has become generally accepted that water quality can deteriorate in a distribution system through microbiological and chemical reactions in the bulk phase and/or at the pipe wall.The most serious aspect of water quality deterioration in a network is the loss of the disinfectant residual that can weaken the barrier against microbial contamination.Studies have suggested that one factor contributing to the loss of disinfectant residuals is the reaction between bulk phase disinfectants and pipe wall material.Free chlorine loss in corroded metal and PVC pipes,subject to changes in velocity,was assessed during an experiment conducted under controlled conditions in a specially constructed pipe loop located at the US Environmental Protection Agency's (EPA's) Test and Evaluation (T&E) Facility in Cincinnati,Ohio (USA).These studies demonstrated that in older unlined metal pipes,the loss of chlorine residual increases with velocity but that wall demand in PVC was negligible.

  9. Critical conceptualism in environmental modeling and prediction.

    Science.gov (United States)

    Christakos, G

    2003-10-15

    Many important problems in environmental science and engineering are of a conceptual nature. Research and development, however, often becomes so preoccupied with technical issues, which are themselves fascinating, that it neglects essential methodological elements of conceptual reasoning and theoretical inquiry. This work suggests that valuable insight into environmental modeling can be gained by means of critical conceptualism which focuses on the software of human reason and, in practical terms, leads to a powerful methodological framework of space-time modeling and prediction. A knowledge synthesis system develops the rational means for the epistemic integration of various physical knowledge bases relevant to the natural system of interest in order to obtain a realistic representation of the system, provide a rigorous assessment of the uncertainty sources, generate meaningful predictions of environmental processes in space-time, and produce science-based decisions. No restriction is imposed on the shape of the distribution model or the form of the predictor (non-Gaussian distributions, multiple-point statistics, and nonlinear models are automatically incorporated). The scientific reasoning structure underlying knowledge synthesis involves teleologic criteria and stochastic logic principles which have important advantages over the reasoning method of conventional space-time techniques. Insight is gained in terms of real world applications, including the following: the study of global ozone patterns in the atmosphere using data sets generated by instruments on board the Nimbus 7 satellite and secondary information in terms of total ozone-tropopause pressure models; the mapping of arsenic concentrations in the Bangladesh drinking water by assimilating hard and soft data from an extensive network of monitoring wells; and the dynamic imaging of probability distributions of pollutants across the Kalamazoo river.

  10. The NASA environmental models of Mars

    Science.gov (United States)

    Kaplan, D. I.

    1991-01-01

    NASA environmental models are discussed with particular attention given to the Mars Global Reference Atmospheric Model (Mars-GRAM) and the Mars Terrain simulator. The Mars-GRAM model takes into account seasonal, diurnal, and surface topography and dust storm effects upon the atmosphere. It is also capable of simulating appropriate random density perturbations along any trajectory path through the atmosphere. The Mars Terrain Simulator is a software program that builds pseudo-Martian terrains by layering the effects of geological processes upon one another. Output pictures of the constructed surfaces can be viewed from any vantage point under any illumination conditions. Attention is also given to the document 'Environment of Mars, 1988' in which scientific models of the Martian atmosphere and Martian surface are presented.

  11. Modeling the effect of flow homogeneity on the fate of Cd, Pb and Zn in a calcareous soil

    Science.gov (United States)

    Lassabatere, Laurent; Spadini, Lorenzo; Delolme, Cécile; Galvez, Rosa; Winiarski, Thierry

    2017-04-01

    The fate of pollutants in the vadose zone depends on flow pathways. It is generally assumed that homogeneous flow will allow pollutants to reach most of the sorption sites, whereas preferential flow will transport pollutants through restricted zones and prohibit pollutants to reach sorption sites in more stagnant water (e.g. Lassabatere et al., 2004). However, this hypothesis has so far not been validated nor experimentally nor numerically. Experimental validation would require, in a unique soil, to establish heterogeneous and homogeneous flow conditions for the similar hydric (water content) and hydraulic (flow rate) conditions, which is almost impossible to achieve. Eventually, variations in flow heterogeneity may be obtained by varying hydric and hydraulic conditions. But straightforward conclusions on flow heterogeneity cannot be expected from such multi-variable experimental assets. This study investigates numerically the effect of flow heterogeneity on the fate of three heavy metals in calcareous environments. The solute transport code considers MIM model (mobile-immobile model) for describing flow heterogeneity. Water is divided into mobile water and immobile water fractions. Solutes are transported by convection and dispersion in mobile water and diffuse at the interfaces between mobile and immobile water fractions. The speciation code considers metal dissolution/precipitation of carbonates, and complexation on calcite surfaces and cationic exchange on Fe-oxyhydroxides particles (clay). The numerical code is applied to the experimental results obtained for a calcareous soil in contact with three trace elemental cations (Cd(II), Pb(II), and Zn(II)) under both static (batch experiments) and dynamic conditions (column experiments) (Lassabatere et al., 2007). The model reconstructs accurately the experimental results and then simulates varying contact times (in batches), injection flow rates (in columns), and concentration conditions. Then, the model is used to

  12. Models for transport and fate of carbon, nutrients and radionuclides in the aquatic ecosystem at Oeregrundsgrepen

    Energy Technology Data Exchange (ETDEWEB)

    Erichsen, Anders Christian; Moehlenberg, Flemming; Closter, Rikke Margrethe; Sandberg, Johannes (DHI, Hoersholm (Denmark))

    2010-06-15

    The aim of the work was to provide supplementary input to the risk assessment of a planned final nuclear waste repository at Forsmark. The main deliverable was a computed water exchange between basins in the Forsmark marine area for the period 6500 BC to 9000 AD - based on the hydrodynamic modelling - to be used as input to the landscape dose model. In addition and what is described in this report, a second deliverable was development and application of high-resolution models for the marine ecosystem and radionuclide processes. The purpose of this deliverable was to illustrate the spatial and temporal variation in important processes and parameters, while constituting a complement to previous modelling approaches and providing supporting information to discussions of the marine ecosystem, parameters and variation (see Chapter 4 and 6).To this end, a hydrodynamic model of high temporal and spatial resolution was constructed and calibrated for the Forsmark area. An ecosystem model was then developed and coupled to the hydrodynamic model. In turn, a detailed radionuclide model was coupled to the ecosystem model to provide detailed predictions of radionuclide transport and accumulation in the coastal ecosystem. The ecosystem and radionuclide models were developed in the equation solver MIKE ECOLab that links seamless to the MIKE3 FM hydrodynamic model. The 'standard' ECOLab ecosystem model was extended with six biological state variables, perennial macroalgae, benthic herbivors, detritus feeders, planktivorus fish and, benthic predators representing the relict isopod Saduria and cod. In contrast to the ecosystem model, the radionuclide model was developed from scratch but building on the structure of the ecosystem model and using the output (process rates linking state variables) from the ecosystem model as input to the radionuclide model. Both the ecosystem model and the radionuclide model were run for several years (5-8 years) to bring state variables into

  13. Source-Flux-Fate Modelling of Priority Pollutants in Stormwater Systems

    DEFF Research Database (Denmark)

    Vezzaro, Luca

    the significant level of uncertainty affecting stormwater quality models, the identification of sources of uncertainty (based on Global Sensitivity Analysis - GSA) and quantification of model prediction bounds (based on pseudo-Bayesian methods, such as the Generalized Likelihood Uncertainty Estimation - GLUE......) are presented as crucial elements in modelling of stormwater PP. Special focus is on assessing the use of combined informal likelihood measures assigning equal weights at different model outputs (flow and quality measurements). Management of the spatially heterogeneous sources of stormwater PP requires...... a detailed catchment characterization, based on land use and the use of information stored in Geographical Information System (GIS). The analysis carried out in the thesis, which compares different characterization approaches with different level of detail, suggests in fact that this approach allows...

  14. Crops Models for Varying Environmental Conditions

    Science.gov (United States)

    Jones, Harry; Cavazzoni, James; Keas, Paul

    2001-01-01

    New variable environment Modified Energy Cascade (MEC) crop models were developed for all the Advanced Life Support (ALS) candidate crops and implemented in SIMULINK. The MEC models are based on the Volk, Bugbee, and Wheeler Energy Cascade (EC) model and are derived from more recent Top-Level Energy Cascade (TLEC) models. The MEC models simulate crop plant responses to day-to-day changes in photosynthetic photon flux, photoperiod, carbon dioxide level, temperature, and relative humidity. The original EC model allows changes in light energy but uses a less accurate linear approximation. The simulation outputs of the new MEC models for constant nominal environmental conditions are very similar to those of earlier EC models that use parameters produced by the TLEC models. There are a few differences. The new MEC models allow setting the time for seed emergence, have realistic exponential canopy growth, and have corrected harvest dates for potato and tomato. The new MEC models indicate that the maximum edible biomass per meter squared per day is produced at the maximum allowed carbon dioxide level, the nominal temperatures, and the maximum light input. Reducing the carbon dioxide level from the maximum to the minimum allowed in the model reduces crop production significantly. Increasing temperature decreases production more than it decreases the time to harvest, so productivity in edible biomass per meter squared per day is greater at nominal than maximum temperatures, The productivity in edible biomass per meter squared per day is greatest at the maximum light energy input allowed in the model, but the edible biomass produced per light energy input unit is lower than at nominal light levels. Reducing light levels increases light and power use efficiency. The MEC models suggest we can adjust the light energy day-to- day to accommodate power shortages or Lise excess power while monitoring and controlling edible biomass production.

  15. Fate of As(V)-treated nano zero-valent iron: determination of arsenic desorption potential under varying environmental conditions by phosphate extraction.

    Science.gov (United States)

    Dong, Haoran; Guan, Xiaohong; Lo, Irene M C

    2012-09-01

    Nano zero-valent iron (NZVI) offers a promising approach for arsenic remediation, but the spent NZVI with elevated arsenic content could arouse safety concerns. This study investigated the fate of As(V)-treated NZVI (As-NZVI), by examining the desorption potential of As under varying conditions. The desorption kinetics of As from As-NZVI as induced by phosphate was well described by a biphasic rate model. The effects of As(V)/NZVI mass ratio, pH, and aging time on arsenic desorption from As-NZVI by phosphate were investigated. Less arsenic desorption was observed at lower pH or higher As(V)/NZVI mass ratio, where stronger complexes (bidentate) formed between As(V) and NZVI corrosion products as indicated by FTIR analysis. Compared with the fresh As-NZVI, the amount of phosphate-extractable As significantly decreased in As-NZVI aged for 30 or 60 days. The results of the sequential extraction experiments demonstrated that a larger fraction of As was sorbed in the crystalline phases after aging, making it less susceptible to phosphate displacement. However, at pH 9, a slightly higher proportion of phosphate-extractable As was observed in the 60-day sample than in the 30-day sample. XPS results revealed the transformation of As(V) to more easily desorbed As(III) during aging and a higher As(III)/As(V) ratio in the 60-day sample at pH 9, which might have resulted in the higher desorption.

  16. Model evaluation methodology applicable to environmental assessment models

    Energy Technology Data Exchange (ETDEWEB)

    Shaeffer, D.L.

    1979-08-01

    A model evaluation methodology is presented to provide a systematic framework within which the adequacy of environmental assessment models might be examined. The necessity for such a tool is motivated by the widespread use of models for predicting the environmental consequences of various human activities and by the reliance on these model predictions for deciding whether a particular activity requires the deployment of costly control measures. Consequently, the uncertainty associated with prediction must be established for the use of such models. The methodology presented here consists of six major tasks: model examination, algorithm examination, data evaluation, sensitivity analyses, validation studies, and code comparison. This methodology is presented in the form of a flowchart to show the logical interrelatedness of the various tasks. Emphasis has been placed on identifying those parameters which are most important in determining the predictive outputs of a model. Importance has been attached to the process of collecting quality data. A method has been developed for analyzing multiplicative chain models when the input parameters are statistically independent and lognormally distributed. Latin hypercube sampling has been offered as a promising candidate for doing sensitivity analyses. Several different ways of viewing the validity of a model have been presented. Criteria are presented for selecting models for environmental assessment purposes.

  17. Identification of TCE and PCE sorption and biodegradation parameters in a sandy aquifer for fate and transport modelling: batch and column studies

    OpenAIRE

    Kret, E.; Kiecak, A.; Malina, G.; Nijenhuis, I.; Postawa, A.

    2015-01-01

    The main aim of this study was to determine the sorption and biodegradation parameters of trichloroethene (TCE) and tetrachloroethene (PCE) as input data required for their fate and transport modelling in a Quaternary sandy aquifer. Sorption was determined based on batch and column experiments, while biodegradation was investigated using the compound-specific isotope analysis (CSIA). The aquifer materials medium (soil 1) to fine (soil 2) sands and groundwater samples came from the representat...

  18. Amphibians as models for studying environmental change.

    Science.gov (United States)

    Hopkins, William A

    2007-01-01

    The use of amphibians as models in ecological research has a rich history. From an early foundation in studies of amphibian natural history sprang generations of scientists who used amphibians as models to address fundamental questions in population and community ecology. More recently, in the wake of an environment that human disturbances rapidly altered, ecologists have adopted amphibians as models for studying applied ecological issues such as habitat loss, pollution, disease, and global climate change. Some of the characteristics of amphibians that make them useful models for studying these environmental problems are highlighted, including their trophic importance, environmental sensitivity, research tractability, and impending extinction. The article provides specific examples from the recent literature to illustrate how studies on amphibians have been instrumental in guiding scientific thought on a broad scale. Included are examples of how amphibian research has transformed scientific disciplines, generated new theories about global health, called into question widely accepted scientific paradigms, and raised awareness in the general public that our daily actions may have widespread repercussions. In addition, studies on amphibian declines have provided insight into the complexity in which multiple independent factors may interact with one another to produce catastrophic and sometimes unpredictable effects. Because of the complexity of these problems, amphibian ecologists have been among the strongest advocates for interdisciplinary research. Future studies of amphibians will be important not only for their conservation but also for the conservation of other species, critical habitats, and entire ecosystems.

  19. A transport and fate model of C-14 in a bay of the Baltic Sea at SFR. Today and in future

    Energy Technology Data Exchange (ETDEWEB)

    Kumblad, L. [Stockholm Univ. (Sweden). Dept. of Systems Ecology

    2001-06-01

    The environmental transport and fate of a hypothetical release of radioactive carbon-14 from SFR-1 (the final repository for radioactive operational waste) was investigated using an ecosystem modelling approach. The approach involved identification, quantification and dynamic modelling of the main flows and storages of carbon both in the physical environment and in the food web. Carbon-14 was in the model introduced into the food web via photosynthesising organisms. Contamination of the aquatic ecosystem above SFR-1 was then assessed assuming a release of 5.13 x 10{sup 7} Bq/year for 1,000 years. Modelling results were used to estimate steady-state C-14 concentrations in biota, exposure (Gy) of biota and dose (Sv) to humans consuming contaminated organisms both if the discharge occurred today (2000 AD)and if it occurred in the future (4000 AD). Since the modelled area is characterised by a fast water exchange, most of the discharged C-14 was flushed out of the system more or less immediately (99.8% and 98.4% at 2000 AD and 4000 AD, respectively). However, a small fraction of the discharge was assimilated by primary producers (0.18% and 2.11%), which enabled subsequent transfer of C-14 to organisms at higher trophic levels (e.g. fish, seals and humans). The exported C-14 from the area was diluted to very low concentrations in the large recipient outside. Estimated exposures were very low, and differed significantly among the studied biota (17.2 x 10{sup -12} to 2.3 x 10{sup -6} Gy). In general the highest exposures were observed in benthic plants and benthic grazers followed by fish and benthos. Humans consuming large quantities of locally produced food (e.g.fish, mussels and algae) will receive an exposure in case of C-14 contamination. Estimated doses to humans were approximately 10-100 nSv per year, which is significantly lower than restrictions by the authorities. The developed model was also used to evaluate implications of various assumptions concerning the

  20. Seeking New Model Geometry to Predict the Fate and Transport of Colloids in Porous Media

    Science.gov (United States)

    Ma, H.; Johnson, W. P.

    2008-12-01

    Classic colloidal filtration theory (CFT) employed particle tracking approaches in Happel sphere-in-cell model to predict transport and deposition rates of colloids in clean bed porous media. It works well when an energy barrier to deposition is absent, but fails when repulsion exists between the colloid and the collecting surface. Past efforts in modifying CFT, e.g. including a sticking coefficient to account for effect of colloid-collector repulsion on deposition, have not yielded consistently successful predictions. Recent advances in understanding colloidal retention in porous media in the presence of an energy barrier demonstrated two important deposition mechanisms: 1) wedging/straining at grain-to-grain contacts; and 2) retention at secondary energy minima with sufficiently low flow (e.g. flow stagnation zones). These mechanisms are not considered in CFT, partly because the sphere-in-cell model on which CFT is based lacks the necessary pore geometry feature (e.g. grain-to-grain contacts). Here we explore new model geometries that utilize the fluid envelope feature from CFT, but also incorporate grain-to-grain contacts. This presentation describes the testing of these new model geometries in predicting colloidal deposition in the absence of an energy barrier, and then extends to conditions when repulsive energy barriers to deposition are present.

  1. Comparison of three pesticide fate models for two herbicides leaching under field conditions in a maize cropping system

    Science.gov (United States)

    Marin-Benito, Jesus Maria; Pot, Valérie; Alletto, Lionel; Mamy, Laure; Bedos, Carole; van den Berg, Erik; Barriuso, Enrique; Benoit, Pierre

    2014-05-01

    Losses of pesticides from agricultural soils may influence the quality of groundwater. Therefore, numerous models were developed to assess the transfer of pesticides from the soil surface to groundwater after their application to an agricultural field. Our objective was thus to compare the ability of three pesticide fate models to describe the behavior of water, and S-metolachlor (SMOC) and mesotrione (MES) herbicides as observed under field conditions in a maize monoculture system. Simulations were based on field experimentations set up in Toulouse area (France). The tested scenario focused on a conventional maize monoculture and included two irrigated cropping periods with a fallow period managed with bare soil. SMOC was sprayed annually at 1.25 and 1.52 kg a.i./ha in 2011 and 2012, respectively, while MES was only applied in 2012 but twice, at 0.150 kg a.i./ha. Simulations were performed with the PRZM, PEARL and MACRO models parameterized with field, laboratory, and literature data, and pedotransfer functions. The results of simulations were compared with soil tension, water content and percolation data monitored at different depths in 2011-2012. The comparison of the results obtained by the three models indicated that PRZM was not able to simulate properly the water dynamic in the soil profile and for example, it predicted that microporosity was always saturated at 1 m-depth. On the contrary, PEARL and MACRO simulated quite well the observed water behavior (water pressure head and volumetric water content) at 20 and 50 cm-depth during the irrigated cropping period of 2012. However, simulated soil moisture and water pressure were overestimated before the rainfall event of 20 May 2012. MACRO and PEARL simulations generally showed similar water flow dynamics for the whole period at the three depths. Neither the dynamic nor the total amount of percolated water was correctly simulated by any model. The three models overestimated the total water volume leached at 1 m

  2. Development, calibration, and predictive results of a simulator for subsurface pathway fate and transport of aqueous- and gaseous-phase contaminants in the Subsurface Disposal Area at the Idaho National Engineering and Environmental Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Magnuson, S.O.; Sondrup, A.J.

    1998-07-01

    This document presents the development, calibration, and predictive results of a simulation study of fate and transport of waste buried in the Subsurface Disposal Area (SDA) (which is hereafter referred to as the SDA simulation study). This report builds on incorporates a previous report that dealt only with the calibration of a flow model for simulation of water movement beneath the SDA (Magnuson and Sondrup 1996). The primary purpose of the SDA simulation study was to perform fate and transport calculations to support the IRA. A secondary purpose of the SDA simulation study was to be able to use the model to evaluate possible remediation strategies and their effects on flow and transport in the OU 7-13/14 feasibility study.

  3. Innovative mathematical modeling in environmental remediation

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, Gour T. [Taiwan Typhoon and Flood Research Institute (Taiwan); National Central Univ. (Taiwan); Univ. of Central Florida (United States); Gwo, Jin Ping [Nuclear Regulatory Commission (NRC), Rockville, MD (United States); Siegel, Malcolm D. [Sandia National Laboratories, Albuquerque, NM (United States); Li, Ming-Hsu [National Central Univ. (Taiwan); ; Fang, Yilin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Zhang, Fan [Inst. of Tibetan Plateau Research, Chinese Academy of Sciences (China); Luo, Wensui [Inst. of Tibetan Plateau Research, Chinese Academy of Sciences (China); Yabusaki, Steven B. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

    2013-05-01

    There are two different ways to model reactive transport: ad hoc and innovative reaction-based approaches. The former, such as the Kd simplification of adsorption, has been widely employed by practitioners, while the latter has been mainly used in scientific communities for elucidating mechanisms of biogeochemical transport processes. It is believed that innovative mechanistic-based models could serve as protocols for environmental remediation as well. This paper reviews the development of a mechanistically coupled fluid flow, thermal transport, hydrologic transport, and reactive biogeochemical model and example-applications to environmental remediation problems. Theoretical bases are sufficiently described. Four example problems previously carried out are used to demonstrate how numerical experimentation can be used to evaluate the feasibility of different remediation approaches. The first one involved the application of a 56-species uranium tailing problem to the Melton Branch Subwatershed at Oak Ridge National Laboratory (ORNL) using the parallel version of the model. Simulations were made to demonstrate the potential mobilization of uranium and other chelating agents in the proposed waste disposal site. The second problem simulated laboratory-scale system to investigate the role of natural attenuation in potential off-site migration of uranium from uranium mill tailings after restoration. It showed inadequacy of using a single Kd even for a homogeneous medium. The third example simulated laboratory experiments involving extremely high concentrations of uranium, technetium, aluminum, nitrate, and toxic metals (e.g.,Ni, Cr, Co).The fourth example modeled microbially-mediated immobilization of uranium in an unconfined aquifer using acetate amendment in a field-scale experiment. The purposes of these modeling studies were to simulate various mechanisms of mobilization and immobilization of radioactive wastes and to illustrate how to apply reactive transport models

  4. Modelling the fate of ciprofloxacin in activated sludge systems - The relevance of the sorption process

    DEFF Research Database (Denmark)

    Polesel, Fabio; Lehnberg, Kai; Dott, Wolfgang

    . In a previous study [1], a daily systematic reduction of ciprofloxacin removal in a full-scale WWTP (Bekkelaget, Norway) was associated to deteriorated sorption. Therefore, in this study we further investigated the sorption of ciprofloxacin onto activated sludge at laboratory- and full-scale. Targeted batch...... of ciprofloxacin in a full-scale activated sludge system. Sorption was described by linear kinetics and, in an extended version of ASM-X, using a Freundlich-based submodel. In the latter case, Freundlich parameter values estimated from the batch experiments were used for model calibration. The prediction accuracy...... was statistically evaluated in the two cases by comparing the model output with measured data. Batch experiments showed that maximum sorption capacity occurred at pH=7.4, corresponding to the isoelectric point of ciprofloxacin. A pH increase resulted in a significant reduction of sorption capacity as compared...

  5. Sandor Rado and the fate of the Berlin model in New York.

    Science.gov (United States)

    Tomlinson, W Craig

    2010-01-01

    This paper examines the influence of the Berlin model on psychoanalytic education in New York through the person of Sandor Rado, who was recruited from Berlin to become the first Education Director at the New York Psychoanalytic Institute in 1931, and later went on to found the Columbia University Center for Psychoanalytic Training and Research. While the basic elements of the so-called tripartite model of psychoanalytic education were adopted in principle in New York prior to Rado's arrival, he had an enormous impact on the development and implementation of that curriculum, while attempting to modify it both theoretically and clinically, and became one of the focal points of the controversies that led to the break-up of that institute. He also sought to expand ties to American medicine and psychiatry and to research in general.

  6. The Fate of the Red Cells: Insights from Two Models of Severe Malarial Anemia

    Science.gov (United States)

    2011-03-07

    Couper KN. Cerebral malaria: why experimental murine models are required to understand the pathogenesis of disease. Parasitology 2010;137:755-772...of uninfected erythrocytes. Parasitology 1999;119 ( Pt 2):127-133. 23. Price RN, Simpson JA, Nosten F et al. Factors contributing to anemia after...Br.Med.Bull. 1972;28:22-27. 62. Sabchareon A, Burnouf T, Ouattara D et al. Parasitologic and clinical human response to immunoglobulin

  7. Anaerobic digestion modelling: innovative characterization tool and extension to micropollutant fate

    OpenAIRE

    Jimenez, Julie; Aemig, Quentin; Steyer, Jean-Philippe; Patureau, Dominique

    2014-01-01

    Advanced dynamic anaerobic digestion models, such as ADM1, requires both detailed organic matter characterisation and intimate knowledge of the involved metabolic pathways. In the current study, a methodology for municipal sludge characterization previously developed is used to describe two key parameters: biodegradability and bioaccessibility of organic matter. The methodology is based on coupling sequential chemical extractions with 3D fluorescence spectroscopy. Experimental data, obtained ...

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

    Science.gov (United States)

    Lim, Dong-Hee; Lastoskie, Christian M

    2011-05-01

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

  9. Integration of aquatic fate and ecological responses to linear alkyl benzene sulfonate (LAS) in model stream ecosystems.

    Science.gov (United States)

    Belanger, S E; Bowling, J W; Lee, D M; LeBlanc, E M; Kerr, K M; McAvoy, D C; Christman, S C; Davidson, D H

    2002-06-01

    An integrated model stream ecosystem fate and effect study of dodecyl linear alkylbenzene sulfonate (C(12)LAS) was performed in the summer and fall of 1996. The study addressed responses of periphytic microbes, immature benthic fauna including abundance, drift, and emergence of adult insects in a 56-day exposure. Exposures ranged from 126 to 2978 microg/L and were continuously presented in a single-pass, flow-through test system. Microbial heterotrophs acclimated to C(12)LAS exposure quickly (14 days) and biodegraded C(12)LAS at all concentrations. Blue-green algae responded by increasing in abundance with increasing C(12)LAS concentration. Invertebrates responded by increased drift and reduced benthic abundances at concentrations exceeding 293 microg/L. Emergence at 927 microg/L also declined relative to the control. Adverse responses for mayflies and chironomids were indicated using univariate statistical techniques. Multivariate techniques indicated these taxa plus mollusks, aquatic worms, caddisflies, and stoneflies were impaired at some concentrations. Bioavailability of C(12)LAS was investigated in streams as a function of the total suspended solid load in the water column driven by local weather and watershed patterns. A continuous bioavailability model indicated exposure was reduced by an average of 8.5+/-8.9%. A model ecosystem no-observed-effect concentration (NOEC) was concluded to be 293 microg/L based on measured water column exposure and adjusted to 268 microg/L by the bioavailability model. A literature review of 13 available model ecosystem studies was conducted and NOEC conclusions were adjusted by a structure-activity relationship to a dodecyl chain length (sulfophenyl position and distribution being ignored due to lack of information in the reviewed studies). Lentic studies (n=7) were found to have higher NOECs than lotic studies (n=6) and were more variable. Mean NOECs+/-SD for all studies, lentic studies only, and lotic studies only were 3320

  10. Modeling organic carbon dynamics and cadmium fate in long-term sludge-amended soil.

    Science.gov (United States)

    Bergkvist, Petra; Jarvis, Nicholas

    2004-01-01

    A model is described that may help to resolve uncertainty and controversy over the long-term consequences of sludge applications to arable land, especially with regard to the effects of sludge adsorption characteristics on trace metal solubility and bioavailability (e.g., the sludge "time bomb" or sludge "protection" hypotheses). Mass balances of organic and inorganic material derived from sludge and crop residues are simulated. Each pool has a potentially different adsorption affinity for trace metals, and this leads to changes in the adsorption capacity of sludge-amended soil that influence leaching and crop uptake. Model simulations were compared with measured changes in organic carbon and ethylenediaminetetraacetic acid (EDTA)-extractable cadmium contents in a clay loam soil following 41 years of sludge applications. The model adequately reproduced the data, although discrepancies in the vertical distribution of Cd were attributed to the effects of macropore transport and root-uptake driven recirculation. A Monte Carlo sensitivity analysis demonstrated that the most important parameters affecting leaching and crop uptake were the Cd loading and parameters controlling adsorption, especially the partition coefficient for sludge-derived inorganic material and the exponent regulating the effect of pH on sorption. Scenario simulations show that no general conclusions can be drawn with respect to the validity of the sludge "time bomb" and sludge "protection" hypotheses. Either may occur, or neither, depending on three key system parameters: the ratio of sludge adsorption capacity to the initial adsorption capacity of the soil, the proportion of the sludge adsorption capacity contributed by the inorganic fraction, and the sludge Cd loading.

  11. Modeling of Long-Term Fate of Mobilized Fines due to Dam-Embankment Interfacial Dislocations

    Science.gov (United States)

    Glascoe, L. G.; Ezzedine, S. M.; Kanarska, Y.; Lomov, I.; Antoun, T. H.

    2011-12-01

    Transverse cracks in embankment dams can develop as a result of post-construction settlements, earthquake deformations, or anthropogenic loads such as emplaced explosives. During these dislocations, fine particles are released from the damaged zones and can create unwanted inertial erosion and piping through the transverse cracks. These processes are equally critical to the overall stability of the dam. We present numerical results related to the problem of the fluid flow, transport, and filtration of particulates from damaged zones between the concrete sections of a gravity dam and the embankment wraparound sections. The model solves simultaneously the flow, attachment, and washout of fine particles within a wraparound heterogeneous porous media. We used a state-of-the-art finite element method with adaptive mesh refinement to capture 1) the interface between water dense with fines and clear water, and 2) the non-linearity of the free surface itself. A few scenarios of sediment entrapment in the filter layers of a gravity dam were considered. Several parameterizations of the filtration model and constitutive laws of soil behavior were also investigated. Through these analyses, we concluded that the attachment kinetic isotherm is the key function of the model. More parametric studies need to be conducted to assess the sensitivity of the kinetic isotherm parameters on the overall stability of the embankment. These kinetic parameters can be obtained, for example, through numerical micro- and meso-scale studies. It is worth mentioning that the current model, for the more realistic non-linear kinetic isotherms, has predicted a self-rehabilitation of the breached core with retention of 50% of the mobilized fines using a very conservative filtration length. A more realistic value should exceed the assumed one, resulting in a retention exceeding 50%. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under

  12. The Caenorhabditis elegans Excretory System: A Model for Tubulogenesis, Cell Fate Specification, and Plasticity.

    Science.gov (United States)

    Sundaram, Meera V; Buechner, Matthew

    2016-05-01

    The excretory system of the nematode Caenorhabditis elegans is a superb model of tubular organogenesis involving a minimum of cells. The system consists of just three unicellular tubes (canal, duct, and pore), a secretory gland, and two associated neurons. Just as in more complex organs, cells of the excretory system must first adopt specific identities and then coordinate diverse processes to form tubes of appropriate topology, shape, connectivity, and physiological function. The unicellular topology of excretory tubes, their varied and sometimes complex shapes, and the dynamic reprogramming of cell identity and remodeling of tube connectivity that occur during larval development are particularly fascinating features of this organ. The physiological roles of the excretory system in osmoregulation and other aspects of the animal's life cycle are only beginning to be explored. The cellular mechanisms and molecular pathways used to build and shape excretory tubes appear similar to those used in both unicellular and multicellular tubes in more complex organs, such as the vertebrate vascular system and kidney, making this simple organ system a useful model for understanding disease processes.

  13. Mammary-Stem-Cell-Based Somatic Mouse Models Reveal Breast Cancer Drivers Causing Cell Fate Dysregulation

    Directory of Open Access Journals (Sweden)

    Zheng Zhang

    2016-09-01

    Full Text Available Cancer genomics has provided an unprecedented opportunity for understanding genetic causes of human cancer. However, distinguishing which mutations are functionally relevant to cancer pathogenesis remains a major challenge. We describe here a mammary stem cell (MaSC organoid-based approach for rapid generation of somatic genetically engineered mouse models (GEMMs. By using RNAi and CRISPR-mediated genome engineering in MaSC-GEMMs, we have discovered that inactivation of Ptpn22 or Mll3, two genes mutated in human breast cancer, greatly accelerated PI3K-driven mammary tumorigenesis. Using these tumor models, we have also identified genetic alterations promoting tumor metastasis and causing resistance to PI3K-targeted therapy. Both Ptpn22 and Mll3 inactivation resulted in disruption of mammary gland differentiation and an increase in stem cell activity. Mechanistically, Mll3 deletion enhanced stem cell activity through activation of the HIF pathway. Thus, our study has established a robust in vivo platform for functional cancer genomics and has discovered functional breast cancer mutations.

  14. subsection{Fate of the cyanobacterial toxin Microcystin-LR during bank filtration - column experiments and modelling}

    Science.gov (United States)

    Gerstenberg, Karen; Nützmann, Gunnar

    2010-05-01

    Over the past several years there has been an increasing interest in microcystins and other cyanobacterial toxins in surface waters and oxic groundwater. Since these compounds are strong hepatotoxic agents their presence in surface water is undesirable and can especially cause health problems if the contaminated surface water is used for drinking water abstraction by bank filtration. During the subsurface sediment passage microcystins are biodegraded by adapted microorganisms in a co-metabolic way together with other compounds - a process which causes depletion of oxygen in the sediment and production of anoxic zones in the underground. Presence or absence of oxygen as electron acceptor for microbial energetic metabolism is a crucial factor for degradation. Up to now most studies focused on the fate of microcystin under oxic conditions. But if during bank filtration anoxic zones occur, these approaches cannot be used for description and prediction of transport and degradation processes of microcystin in bank filtration sites. For a better understanding of anoxic degradation of microcystins during subsurface sediment passage laboratory column experiments were designed to simulate the transport and degradation conditions in the aquifer. In small columns of about 20 cm length different cyanobacterial concentrations and potential electron acceptors are adjusted. The outflowing water was analyzed with respect to Microcystin-LR and the main ion concentrations. Transport and sorption parameters were investigated by flow experiments, and quantification of the main parameters was done by inverse modelling using a MATLAB inverse transport model. Flow and sorption experiments reconfirmed that Microcystin-LR does not tend to sorb to the sandy material. Considering the anoxic degradation behaviour of the toxin the redox state of the system was assumed to be the most important factor and therefore varied during the experiments by adding supplemental nitrate or nitrite. The

  15. Sink or swim? Geodynamic and petrological model constraints on the fate of Archaean primary crust

    Science.gov (United States)

    Kaus, B.; Johnson, T.; Brown, M.; VanTongeren, J. A.

    2013-12-01

    Ambient mantle potential temperatures in the Archaean were significantly higher than 1500 °C, leading to a high percent of melting and generating thick MgO-rich primary crust underlain by highly residual mantle. However, the preserved volume of this crust is low suggesting much of it was recycled. Here we couple calculated phase equilibria for hydrated and anhydrous low to high MgO crust compositions and their complementary mantle residues with 2-D numerical geodynamic models to investigate lithosphere dynamics in the early Earth. We show that, with increasing ambient mantle potential temperature, the density of primary crust increases more dramatically than the density of residual mantle decreases and the base of MgO-rich primary crust becomes gravitationally unstable with respect to the underlying mantle even when fully hydrated. To study this process we use geodynamic models that include the effects of melt extraction, crust formation and depletion of the mantle in combination with laboratory-constrained dislocation and diffusion creep rheologies for the mantle. The models show that the base of the gravitationally unstable lithosphere delaminates through relatively small-scale Rayleigh-Taylor instabilities, but only if the viscosity of the mantle lithosphere is sufficiently low. Thickening of the crust above upwelling mantle and heating at the base of the crust are the main mechanisms that trigger the delamination process. Scaling laws were developed that are in good agreement with the numerical simulations and show that the key parameters that control the instability are the density contrast between crust and underlying mantle lithosphere, the thickness of the unstable layer and the effective viscosity of the upper mantle. Depending on uncertainties in the melting relations and rheology (hydrous or anhydrous) of the mantle, this process is shown to efficiently recycle the crust above potential temperatures of 1550-1600 °C. However, below these temperatures

  16. Modeling Fate and Transport of Chloride from Deicers in Urban Floodplains: Implications for Urban Planning

    Science.gov (United States)

    Ledford, S. H.; Lautz, L.

    2015-12-01

    Road salting in urban areas of the northeastern United States increases chloride concentrations in urban streams. Groundwater storage of saline road runoff results in increased surface water chloride concentrations through time, even in non-winter months. Stream-groundwater (SW-GW) interactions promote buffering of large seasonal swings in stream chloride concentrations, resulting in lower surface water chloride in winter and higher concentrations in summer, relative to streams hydrologically disconnected from riparian floodplains. However, the hydrogeologic processes controlling salt storage and transport in urban floodplain aquifers have not been fully investigated. We developed a 3D numerical groundwater flow and solute transport model of an urban floodplain in Syracuse, New York, using MODFLOW and MT3DMS. We ran the model for 1 year, calibrating to three conditions: water table elevations along a riparian transect, measurements of net groundwater flux to the stream along the 500-m reach, and chloride concentrations in groundwater through time in riparian wells. Chloride enters the riparian aquifer via three pathways: hillslope groundwater discharge, hyporheic exchange, and groundwater recharge during overbank flooding events. Winter overbank flooding events are the primary source of chloride to floodplain sediments. While hillslope groundwater discharge results in relatively uniform chloride through time in high conductivity units, surficial floodplain sediments with lower conductivity have high chloride concentrations from winter overbank flood events. When compared to road salt application rates (up to 20 tons of salt per lane kilometer per year), the 0.013 km2 floodplain holds only a tiny fraction of chloride applied in a watershed (>100 km of road in the watershed). To promote riparian aquifer storage of road salt and buffering of stream chloride concentrations, urban planners should design urban floodplains for frequent winter flooding events, and allow

  17. Simulating the Fate and Transport of an Acid Mine Drainage Release Using the WASP model

    Science.gov (United States)

    Knightes, C. D.; Kate, S.; Avant, B. K.; Cyterski, M.; Washington, J.; Prieto, L.

    2016-12-01

    On August 5, 2015, approximately 3 million gallons of acid mine drainage were released from the Gold King Mine into Cement Creek in the San Juan River watershed (CO, NM, UT). The release further mobilized additional metals, which resulted in a large mass of solids and dissolved metals entering Cement Creek. These metals were released into the Animas River. As the release acidity was neutralized, the metals precipitated and formed the visually noticeable "yellow boy," which flowed down the San Juan River. We applied the Water Quality Analysis Simulation Program (WASP) using empirically based parameterization to simulate and describe the movement of the plume and total and dissolved concentrations of all metals, including Arsenic, Copper, Lead, and Zinc. We estimated that the plume took between approximately 1 to 3 days to pass any given location. The peak concentration of the plume took about 2 hours to reach Silverton, CO (16 rkm), 1.5 days to reach Durango, CO (94 rkm), 2.9 days to reach Farmington, NM, (190 rkm) and 5.8 days to reach Mexican Hat, UT (422 km). Total metal concentration decreased rapidly going downstream, dropping 80% upon entering the Animas at Silverton, CO, and 99.5% entering the San Juan at Farmington. Metal concentrations decreased by dilution, settling, and dispersion. Modeling suggests that deposition occurred primarily in the upper Animas River near Silverton and near Durango, which was supported with empirical evidence. This work demonstrates the utility of a combined empirical and mechanistic modeling analysis. We additionally investigate long-term residual effects and potential exposure concentrations during storm and snowmelt high flow periods after the visible plume had traversed the system.

  18. Factors influencing the fruit crops and seed fates of Pistacia chinensis: the results of structural equation modeling

    Directory of Open Access Journals (Sweden)

    Hongling Guo

    2014-03-01

    Full Text Available Seed production and quality are important factors influencing population regeneration in many seed plants. We used structural equation modeling to investigate how plant and fruit traits interact with each other to influence the fruit crops and seed fates of Pistacia chinensis. From May to September 2009, we sampled 45 fruiting female trees and measured plant traits (height, DBH and crown area, fruit traits (infructescence size, fruit size and the fruit crop of each sampled tree in Jiyuan City of Henan Province, Central China. The fruit crops of P. chinensis were positively correlated with tree height, crown area and infructescence size but not significantly correlated with DBH or fruit size. The fruit crop of an individual tree had no negative direct effect on the infestation of seeds by wasps (Eurytoma plotnikovi. Such a direct effect would be predicted by the predator satiation hypothesis. Tree height and fruit size had a positive direct effect on the seed predation rate, but a significant negative correlation was found between the seed predation rate and the rate of seedlessness. Our results indicate that seedless fruits may serve as a defensive mechanism against insect seed predators. In addition, both seedless and insect-infested fruits had a negative direct effect on seed survival, and DBH, infructescence size and fruit crop had a positive indirect effect on seed survival. However, tree height and fruit size had negative indirect effects on seed survival. In conclusion, we have shown that both plant and fruit traits can strongly influence fruit crops and insect seed predation and subsequently determine the seed quality and population regeneration of P. chinensis.

  19. Fate models for chemical substances in exposure and risk assessment. Focused on estimation of atmospheric concentration; Bakuro{center_dot}risuku hyoka ni okeru kagaku busshitsu unmei yosoku moderu. Taikichu nodo suitei wo chushin toshite

    Energy Technology Data Exchange (ETDEWEB)

    Higashino, H. [National Inst. for Resources and Environment, Tsukuba (Japan)

    2000-09-20

    A fate model is one of the most effective tools in exposure and risk assessment of chemical substances. Two different type models are available for estimating the atmospheric concentration. One is unit box and multi compartment type model, the other is atmospheric dispersion model. These models should be used in different suitable situations because each model has both advantage and disadvantage. Estimation of the long-term average concentration in a comparatively wide region into which substances are continuously discharged should be required in the environmental assessment of chemical substances. We developed the model with which to estimate long-term average atmospheric concentrations of chemicals. The model validation was conducted for trichloroethylene and tetrachloroethylene concentrations in the atmosphere by comparing calculated values and observed values. Good agreement with the measured values was obtained for the monthly average concentration. The model is capable of estimating the long-term (such as monthly) average distribution of concentration of chemicals in a wide flat area such as the Kanto plain. (author)

  20. Modeling nanomaterial fate in wastewater treatment: Monte Carlo simulation of silver nanoparticles (nano-Ag).

    Science.gov (United States)

    Hendren, Christine Ogilvie; Badireddy, Appala R; Casman, Elizabeth; Wiesner, Mark R

    2013-04-01

    Wastewater effluent and sewage sludge are predicted to be important release pathways for nanomaterials used in many consumer products. The uncertainty and variability of potential nanomaterial inputs, nanomaterial properties, and the operation of the wastewater treatment plant contribute to the difficulty of predicting sludge and effluent nanomaterial concentration. With a model parsimony approach, we developed a mass-balance representation of engineered nanomaterial (ENM) behavior based on a minimal number of input variables to describe release quantities to the environment. Our simulations show that significant differences in the removal of silver nanoparticles (nano-Ag) can be expected based on the type of engineered coatings used to stabilize these materials in suspension. At current production estimates, 95% of the estimated effluent concentrations of the nano-Ag considered to be least well-removed by the average wastewater treatment plant are calculated to fall below 0.12 μg/L, while 95% of the estimated sludge concentrations of nano-Ag with coatings that increase their likelihood of being present in biosolids, fall below 0.35 μg/L. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Modelling origin and transport fate of waste materials on the south-eastern Adriatic coast (Croatia

    Directory of Open Access Journals (Sweden)

    M. Tudor

    2014-12-01

    Full Text Available The south-eastern parts of the Adriatic Sea coastline were severely polluted by large amounts of accumulated waste material in the second half of November 2010. The waste, reported by major news agencies, accumulated dominantly during 21 November 2010 by favourable wind – ocean current transport system. In the study we analysed meteorological and oceanographic conditions that lead to the waste deposition using available in situ measurements, remote sensing data as well numerical models of the ocean and the atmosphere. The measured data reveal that an intensive rainfall event from 7 till 10 November 2010, over the parts of Montenegro and Albania, was followed by a substantial increase of the river water levels indicating flash floods that possibly splashed the waste material into a river and after to the Adriatic Sea. In order to test our hypothesis we set a number of numerical drifter experiments with trajectories initiated off the coast of Albania during the intensive rainfall events following their faith in space and time. One of the numerical drifter trajectory experiment resulted with drifters reached right position (south-eastern Adriatic coast and time (exactly by the time the waste was observed when initiated on 00:00 and 12:00 UTC of 10 November 2010 during the mentioned flash flood event.

  2. Advancing an Information Model for Environmental Observations

    Science.gov (United States)

    Horsburgh, J. S.; Aufdenkampe, A. K.; Hooper, R. P.; Lehnert, K. A.; Schreuders, K.; Tarboton, D. G.; Valentine, D. W.; Zaslavsky, I.

    2011-12-01

    have been modified to support data management for the Critical Zone Observatories (CZOs). This paper will present limitations of the existing information model used by the CUAHSI HIS that have been uncovered through its deployment and use, as well as new advances to the information model, including: better representation of both in situ observations from field sensors and observations derived from environmental samples, extensibility in attributes used to describe observations, and observation provenance. These advances have been developed by the HIS team and the broader scientific community and will enable the information model to accommodate and better describe wider classes of environmental observations and to better meet the needs of the hydrologic science and CZO communities.

  3. Sorption of untreated and humic acid coated silver nanoparticles to environmental and model surfaces

    Science.gov (United States)

    Abraham, Priya M.; Baumann, Thomas; Schaumann, Gabriele E.

    2014-05-01

    The environmental fate of engineered nanoparticles is controlled their colloidal stability and their interaction with different environmental surfaces. Little is known about sorption of nanoparticles to environmental surfaces under quasi-equilibrium conditions. Nevertheless, sorption isotherms may also be a valuable means of studying nanoparticle-sorbent interactions. We investigated sorption of engineered silver nanoparticles (nAg) from stable and unstable suspensions in presence and absence of natural organic matter (NOM) to model surfaces (sorbents with specific chemical functional groups) and environmental materials (plant leaves and sand). Morphology and nanomechanical parameters of the surfaces covered with nanoparticles were assessed using atomic force microscopy (AFM) and scanning electron microscopy (SEM). The sorption of nAg from stable suspensions and in absence of NOM was non-linear and best described by a Langmuir model, where Langmuir coefficients varied with sorbent surface chemistry, which suggests monolayer sorption (Abraham et al. 2013). For nAg sorption from an unstable suspension, the sorption isotherms did not follow any classical sorption models, suggesting interplay between aggregation and sorption (Abraham et al. 2013). In contrast, sorption was strongly suppressed and exhibited linear sorption isotherms in the presence of NOM. The difference in sorption isotherms suggests predominance of different sorption mechanisms depending on presence or absence of NOM, which can be only partly explained by the NOM coating alone. On the basis of the current results, a partial release of NOM coating for sorption of certain surfaces cannot be excluded. The validity of the Langmuir isotherm suggests monolayer sorption, which can be explained by the blocking effect due to electrostatic repulsion of individual nanoparticles. In unstable suspensions, aggregates are instead formed in suspension, formed on the surface and then sorbed, or formed in both ways

  4. The fate of the Arctic seaweed Fucus distichus under climate change: an ecological niche modeling approach.

    Science.gov (United States)

    Jueterbock, Alexander; Smolina, Irina; Coyer, James A; Hoarau, Galice

    2016-03-01

    Rising temperatures are predicted to melt all perennial ice cover in the Arctic by the end of this century, thus opening up suitable habitat for temperate and subarctic species. Canopy-forming seaweeds provide an ideal system to predict the potential impact of climate-change on rocky-shore ecosystems, given their direct dependence on temperature and their key role in the ecological system. Our primary objective was to predict the climate-change induced range-shift of Fucus distichus, the dominant canopy-forming macroalga in the Arctic and subarctic rocky intertidal. More specifically, we asked: which Arctic/subarctic and cold-temperate shores of the northern hemisphere will display the greatest distributional change of F. distichus and how will this affect niche overlap with seaweeds from temperate regions? We used the program MAXENT to develop correlative ecological niche models with dominant range-limiting factors and 169 occurrence records. Using three climate-change scenarios, we projected habitat suitability of F. distichus - and its niche overlap with three dominant temperate macroalgae - until year 2200. Maximum sea surface temperature was identified as the most important factor in limiting the fundamental niche of F. distichus. Rising temperatures were predicted to have low impact on the species' southern distribution limits, but to shift its northern distribution limits poleward into the high Arctic. In cold-temperate to subarctic regions, new areas of niche overlap were predicted between F. distichus and intertidal macroalgae immigrating from the south. While climate-change threatens intertidal seaweeds in warm-temperate regions, seaweed meadows will likely flourish in the Arctic intertidal. Although this enriches biodiversity and opens up new seaweed-harvesting grounds, it will also trigger unpredictable changes in the structure and functioning of the Arctic intertidal ecosystem.

  5. Fate of Lactococcus lactis starter cultures during late ripening in cheese models.

    Science.gov (United States)

    Ruggirello, Marianna; Cocolin, Luca; Dolci, Paola

    2016-10-01

    The presence of Lactococcus lactis, commonly employed as starter culture, was, recently, highlighted and investigated during late cheese ripening. Thus, the main goal of the present study was to assess the persistence and viability of this microorganism throughout manufacturing and ripening of model cheeses. Eight commercial starters, constituted of L. lactis subsp. lactis and L. lactis subsp. cremoris, were inoculated in pasteurized milk in order to manufacture miniature cheeses, ripened for six months. Samples were analysed at different steps (milk after inoculum, curd after cutting, curd after pressing and draining, cheese immediately after salting and cheese at 7, 15, 30, 60, 90, 120, 150 and 180 days of ripening) and submitted to both culture-dependent (traditional plating on M17) and -independent analysis (reverse transcription-quantitative PCR). On the basis of direct RNA analysis, L. lactis populations were detected in all miniature cheeses up to the sixth month of ripening, confirming the presence of viable cells during the whole ripening process, including late stages. Noteworthy, L. lactis was detected by RT-qPCR in cheese samples also when traditional plating failed to indicate its presence. This discrepancy could be explain with the fact that lactococci, during ripening process, enter in a stressed physiological state (viable not culturable, VNC), which might cause their inability to grow on synthetic medium despite their viability in cheese matrix. Preliminary results obtained by "resuscitation" assays corroborated this hypothesis and 2.5% glucose enrichment was effective to recover L. lactis cells in VNC state. The capability of L. lactis to persist in late ripening, and the presence of VNC cells which are known to shift their catabolism to peptides and amino acids consumption, suggests a possible technological role of this microorganism in cheese ripening with a possible impact on flavour formation.

  6. It is the economy, stupid! Projecting the fate of fish populations using ecological-economic modeling.

    Science.gov (United States)

    Quaas, Martin F; Reusch, Thorsten B H; Schmidt, Jörn O; Tahvonen, Olli; Voss, Rudi

    2016-01-01

    Four marine fish species are among the most important on the world market: cod, salmon, tuna, and sea bass. While the supply of North American and European markets for two of these species - Atlantic salmon and European sea bass - mainly comes from fish farming, Atlantic cod and tunas are mainly caught from wild stocks. We address the question what will be the status of these wild stocks in the midterm future, in the year 2048, to be specific. Whereas the effects of climate change and ecological driving forces on fish stocks have already gained much attention, our prime interest is in studying the effects of changing economic drivers, as well as the impact of variable management effectiveness. Using a process-based ecological-economic multispecies optimization model, we assess the future stock status under different scenarios of change. We simulate (i) technological progress in fishing, (ii) increasing demand for fish, and (iii) increasing supply of farmed fish, as well as the interplay of these driving forces under different scenarios of (limited) fishery management effectiveness. We find that economic change has a substantial effect on fish populations. Increasing aquaculture production can dampen the fishing pressure on wild stocks, but this effect is likely to be overwhelmed by increasing demand and technological progress, both increasing fishing pressure. The only solution to avoid collapse of the majority of stocks is institutional change to improve management effectiveness significantly above the current state. We conclude that full recognition of economic drivers of change will be needed to successfully develop an integrated ecosystem management and to sustain the wild fish stocks until 2048 and beyond. © 2015 John Wiley & Sons Ltd.

  7. Asteroid Impact Deflection and Assessment (AIDA) mission - Full-Scale Modeling and Simulation of Ejecta Evolution and Fates

    Science.gov (United States)

    Fahnestock, Eugene G.; Yu, Yang; Hamilton, Douglas P.; Schwartz, Stephen; Stickle, Angela; Miller, Paul L.; Cheng, Andy F.; Michel, Patrick; AIDA Impact Simulation Working Group

    2016-10-01

    The proposed Asteroid Impact Deflection and Assessment (AIDA) mission includes NASA's Double Asteroid Redirection Test (DART), whose impact with the secondary of near-Earth binary asteroid 65803 Didymos is expected to liberate large amounts of ejecta. We present efforts within the AIDA Impact Simulation Working Group to comprehensively simulate the behavior of this impact ejecta as it moves through and exits the system. Group members at JPL, OCA, and UMD have been working largely independently, developing their own strategies and methodologies. Ejecta initial conditions may be imported from output of hydrocode impact simulations or generated from crater scaling laws derived from point-source explosion models. We started with the latter approach, using reasonable assumptions for the secondary's density, porosity, surface cohesive strength, and vanishingly small net gravitational/rotational surface acceleration. We adopted DART's planned size, mass, closing velocity, and impact geometry for the cratering event. Using independent N-Body codes, we performed Monte Carlo integration of ejecta particles sampled over reasonable particle size ranges, and over launch locations within the crater footprint. In some cases we scaled the number of integrated particles in various size bins to the estimated number of particles consistent with a realistic size-frequency distribution. Dynamical models used for the particle integration varied, but all included full gravity potential of both primary and secondary, the solar tide, and solar radiation pressure (accounting for shadowing). We present results for the proportions of ejecta reaching ultimate fates of escape, return impact on the secondary, and transfer impact onto the primary. We also present the time history of reaching those outcomes, i.e., ejecta clearing timescales, and the size-frequency distribution of remaining ejecta at given post-impact durations. We find large numbers of particles remain in the system for several

  8. Simplified fate, exposure and effect modelling of chemical compounds in the case of lacking complete assessment data sets

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, R; Olsen, Stig Irving

    2004-01-01

    Within the EU 5th framework OMNIITOX project a simple base model (SBM) is currently being developed to calculate characterisation factors for life cycle impact assessment of toxic releases. This SBM will be derived from a multi-media base model (BM) using statistical techniques combined...... characterisation factors. The result of this will be tested on common sense and environmental knowledge and a mechanistically understandable SBM will be developed by rounding off the coefficients of the regression equations. Preliminary results including PLSR derived linear SBM’s of this work is presented....

  9. Proposing an Environmental Excellence Self-Assessment Model

    DEFF Research Database (Denmark)

    Meulengracht Jensen, Peter; Johansen, John; Wæhrens, Brian Vejrum

    2013-01-01

    This paper presents an Environmental Excellence Self-Assessment (EEA) model based on the structure of the European Foundation of Quality Management Business Excellence Framework. Four theoretical scenarios for deploying the model are presented as well as managerial implications, suggesting...... that the EEA model can be used in global organizations to differentiate environmental efforts depending on the maturity stage of the individual sites. Furthermore, the model can be used to support the decision-making process regarding when organizations should embark on more complex environmental efforts...... to continue to realize excellent environmental results. Finally, a development trajectory for environmental excellence is presented....

  10. t-GIS AND ENVIRONMENTAL DYNAMIC MODELS

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Temporal geographic information system(t-GIS) is a kind of computer information system that can display,process and analyze the micro-format distribution of temporal-spatial information of real world.It includes both spatial geographic information and temporal information,and can analyze both the static geographic information and the dynamic geographic information.Three models based on t-GIS for environment dynamics,namely,the mechanism method,the experience method and the mixed method are given.t-GIS based on the environment dynamic model has more new functions than traditional GIS,such as fast I/O,inquiry,static/dynamic display and visible analysis of spatial and temporal sequence information,especially it can display the image of the evolution in the past,current and future environment through the extrapolation method within its defining region.The velocity for analogue display can be accelerated by setting up time-varying-area-function for position and attribute.Dynamic environmental information analysis systems based on t-GIS are applicable to almost all the fields related to management,display and analysis of local environmental dynamic information.For this reason,some considerations to construct distinct information systems have been enumerated in this paper,such as,the analysis information system for terrain evolution,the analysis information system for the condition of water and fertilizer of farmland,analysis and the evaluation information system for ecological environment,and the analysis information system for distribution changes of population of China,etc.

  11. Modelling of Malaria Risk Areas in Ghana by using Environmental ...

    African Journals Online (AJOL)

    Michael

    2015-12-02

    Dec 2, 2015 ... model of malaria using eight risk factors ranging from environmental to ... transmission. Keywords: Malaria, GIS, Analytical Hierarchy Process, Weighted Overlay ...... of Remote Sensing and GIS in Environmental Management,.

  12. Transport and fate of radionuclides in aquatic environments--the use of ecosystem modelling for exposure assessments of nuclear facilities.

    Science.gov (United States)

    Kumblad, L; Kautsky, U; Naeslund, B

    2006-01-01

    In safety assessments of nuclear facilities, a wide range of radioactive isotopes and their potential hazard to a large assortment of organisms and ecosystem types over long time scales need to be considered. Models used for these purposes have typically employed approaches based on generic reference organisms, stylised environments and transfer functions for biological uptake exclusively based on bioconcentration factors (BCFs). These models are of non-mechanistic nature and involve no understanding of uptake and transport processes in the environment, which is a severe limitation when assessing real ecosystems. In this paper, ecosystem models are suggested as a method to include site-specific data and to facilitate the modelling of dynamic systems. An aquatic ecosystem model for the environmental transport of radionuclides is presented and discussed. With this model, driven and constrained by site-specific carbon dynamics and three radionuclide specific mechanisms: (i) radionuclide uptake by plants, (ii) excretion by animals, and (iii) adsorption to organic surfaces, it was possible to estimate the radionuclide concentrations in all components of the modelled ecosystem with only two radionuclide specific input parameters (BCF for plants and Kd). The importance of radionuclide specific mechanisms for the exposure to organisms was examined, and probabilistic and sensitivity analyses to assess the uncertainties related to ecosystem input parameters were performed. Verification of the model suggests that this model produces analogous results to empirically derived data for more than 20 different radionuclides.

  13. Predicting People's Environmental Behaviour: Theory of Planned Behaviour and Model of Responsible Environmental Behaviour

    Science.gov (United States)

    Chao, Yu-Long

    2012-01-01

    Using different measures of self-reported and other-reported environmental behaviour (EB), two important theoretical models explaining EB--Hines, Hungerford and Tomera's model of responsible environmental behaviour (REB) and Ajzen's theory of planned behaviour (TPB)--were compared regarding the fit between model and data, predictive ability,…

  14. Predicting People's Environmental Behaviour: Theory of Planned Behaviour and Model of Responsible Environmental Behaviour

    Science.gov (United States)

    Chao, Yu-Long

    2012-01-01

    Using different measures of self-reported and other-reported environmental behaviour (EB), two important theoretical models explaining EB--Hines, Hungerford and Tomera's model of responsible environmental behaviour (REB) and Ajzen's theory of planned behaviour (TPB)--were compared regarding the fit between model and data, predictive ability,…

  15. Experimental methodology for assessing the environmental fate of organic chemicals in polymer matrices using column leaching studies and OECD 308 water/sediment systems: Application to tire and road wear particles

    Energy Technology Data Exchange (ETDEWEB)

    Unice, Kenneth M., E-mail: ken.unice@cardno.com; Bare, Jennifer L.; Kreider, Marisa L.; Panko, Julie M.

    2015-11-15

    Automobile tires require functional rubber additives including curing agents and antioxidants, which are potentially environmentally available from tire and road wear particles (TRWP) deposited in soil and sediment. A novel methodology was employed to evaluate the environmental fate of three commonly-used tire chemicals (N-cyclohexylbenzothiazole-2-sulfenamide (CBS), N-(1,3-dimethylbutyl)-N′-phenyl-1,4-phenylenediamine (6-PPD) and 1,3-diphenylguanidine (DPG)), using a road simulator, an artificial weathering chamber, column leaching tests, and OECD 308 sediment/water incubator studies. Environmental release factors were quantified for curing (f{sub C}), tire wear (f{sub W}), terrestrial weathering (f{sub S}), leaching from TRWP (f{sub L}), and environmental availability from TRWP (f{sub A}) by liquid chromatography–tandem mass spectroscopy (LC/MS/MS) analyses. Cumulative fractions representing total environmental availability (F{sub T}) and release to water (F{sub R}) were calculated for the tire chemicals and 13 transformation products. F{sub T} for CBS, DPG and 6-PPD inclusive of transformation products for an accelerated terrestrial aging time in soil of 0.1 years was 0.08, 0.1, and 0.06, respectively (equivalent to 6 to 10% of formulated mass). In contrast, a wider range of 5.5 × 10{sup −4} (6-PPD) to 0.06 (CBS) was observed for F{sub R} at an accelerated age of 0.1 years, reflecting the importance of hydrophobicity and solubility for determining the release to the water phase. Significant differences (p < 0.05) in the weathering factor, f{sub S}, were observed when chemicals were categorized by boiling point or hydrolysis rate constant. A significant difference in the leaching factor, f{sub L}, and environmental availability factor, f{sub A,} was also observed when chemicals were categorized by log K{sub ow}. Our methodology should be useful for lifecycle analysis of other functional polymer chemicals. - Highlights: • Studied two vulcanization

  16. ENM fate in freshwater through adaption of USEtox

    DEFF Research Database (Denmark)

    Miseljic, Mirko; Birkved, Morten; Olsen, Stig Irving

    Engineered nanomaterials (ENMs) have in recent time received substantial attention, both in scientific and consumer circles, as these materials are introduced to a steadily increasing number of consumer products. This has led to environmental concerns on how this new material class behaves...... in the environment, at which concentrations organisms are exposed to the materials and what effects these materials may have on the environment. In relation to metal-oxide engineered nanomaterials (ENMs), as is the general case for ENMs, many environmental aspects are still unknown and/or hence not properly...... scientifically mapped. One approach that has not been given much attention in relation to environmental assessment of ENM, more precisely the fate, exposure and effect modelling of metal-oxide ENMs is the application of adapted characterization modelling (ACM) and hence application of characterisation models...

  17. Risk assessment of TBT in the Japanese short-neck clam ( Ruditapes philippinarum) of Tokyo Bay using a chemical fate model

    Science.gov (United States)

    Horiguchi, Fumio; Nakata, Kisaburo; Ito, Naganori; Okawa, Ken

    2006-12-01

    A risk assessment of Tributyltin (TBT) in Tokyo Bay was conducted using the Margin of Exposure (MOE) method at the species level using the Japanese short-neck clam, Ruditapes philippinarum. The assessment endpoint was defined to protect R. philippinarum in Tokyo Bay from TBT (growth effects). A No Observed Effect Concentration (NOEC) for this species with respect to growth reduction induced by TBT was estimated from experimental results published in the scientific literature. Sources of TBT in this study were assumed to be commercial vessels in harbors and navigation routes. Concentrations of TBT in Tokyo Bay were estimated using a three-dimensional hydrodynamic model, an ecosystem model and a chemical fate model. MOEs for this species were estimated for the years 1990, 2000, and 2007. Estimated MOEs for R. philippinarum for 1990, 2000, and 2007 were approximately 1-3, 10, and 100, respectively, indicating a declining temporal trend in the probability of adverse growth effects. A simplified software package called RAMTB was developed by incorporating the chemical fate model and the databases of seasonal flow fields and distributions of organic substances (phytoplankton and detritus) in Tokyo Bay, simulated by the hydrodynamic and ecological model, respectively.

  18. A software engineering perspective on environmental modeling framework design: The object modeling system

    Science.gov (United States)

    The environmental modeling community has historically been concerned with the proliferation of models and the effort associated with collective model development tasks (e.g., code generation, data provisioning and transformation, etc.). Environmental modeling frameworks (EMFs) have been developed to...

  19. Integrated Environmental Modelling: human decisions, human challenges

    Science.gov (United States)

    Glynn, Pierre D.

    2015-01-01

    Integrated Environmental Modelling (IEM) is an invaluable tool for understanding the complex, dynamic ecosystems that house our natural resources and control our environments. Human behaviour affects the ways in which the science of IEM is assembled and used for meaningful societal applications. In particular, human biases and heuristics reflect adaptation and experiential learning to issues with frequent, sharply distinguished, feedbacks. Unfortunately, human behaviour is not adapted to the more diffusely experienced problems that IEM typically seeks to address. Twelve biases are identified that affect IEM (and science in general). These biases are supported by personal observations and by the findings of behavioural scientists. A process for critical analysis is proposed that addresses some human challenges of IEM and solicits explicit description of (1) represented processes and information, (2) unrepresented processes and information, and (3) accounting for, and cognizance of, potential human biases. Several other suggestions are also made that generally complement maintaining attitudes of watchful humility, open-mindedness, honesty and transparent accountability. These suggestions include (1) creating a new area of study in the behavioural biogeosciences, (2) using structured processes for engaging the modelling and stakeholder communities in IEM, and (3) using ‘red teams’ to increase resilience of IEM constructs and use.

  20. Data for developing metamodels to assess the fate, transport, and bioaccumulation of organic chemicals in rivers. Chemicals have log Kow ranging from 3 to 14, and rivers have mean annual discharges ranging from 1.09 to 3240 m3/s.

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset was developed to demonstrate how metamodels of high resolution, process-based models that simulate the fate, transport, and bioaccumulation of organic...

  1. Data worth and prediction uncertainty for pesticide transport and fate models in Nebraska and Maryland, United States.

    Science.gov (United States)

    Nolan, Bernard T; Malone, Robert W; Doherty, John E; Barbash, Jack E; Ma, Liwang; Shaner, Dale L

    2015-07-01

    Complex environmental models are frequently extrapolated to overcome data limitations in space and time, but quantifying data worth to such models is rarely attempted. The authors determined which field observations most informed the parameters of agricultural system models applied to field sites in Nebraska (NE) and Maryland (MD), and identified parameters and observations that most influenced prediction uncertainty. The standard error of regression of the calibrated models was about the same at both NE (0.59) and MD (0.58), and overall reductions in prediction uncertainties of metolachlor and metolachlor ethane sulfonic acid concentrations were 98.0 and 98.6% respectively. Observation data groups reduced the prediction uncertainty by 55-90% at NE and by 28-96% at MD. Soil hydraulic parameters were well informed by the observed data at both sites, but pesticide and macropore properties had comparatively larger contributions after model calibration. Although the observed data were sparse, they substantially reduced prediction uncertainty in unsampled regions of pesticide breakthrough curves. Nitrate evidently functioned as a surrogate for soil hydraulic data in well-drained loam soils conducive to conservative transport of nitrogen. Pesticide properties and macropore parameters could most benefit from improved characterization further to reduce model misfit and prediction uncertainty. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

  2. Model Fusion Tool - the Open Environmental Modelling Platform Concept

    Science.gov (United States)

    Kessler, H.; Giles, J. R.

    2010-12-01

    The vision of an Open Environmental Modelling Platform - seamlessly linking geoscience data, concepts and models to aid decision making in times of environmental change. Governments and their executive agencies across the world are facing increasing pressure to make decisions about the management of resources in light of population growth and environmental change. In the UK for example, groundwater is becoming a scarce resource for large parts of its most densely populated areas. At the same time river and groundwater flooding resulting from high rainfall events are increasing in scale and frequency and sea level rise is threatening the defences of coastal cities. There is also a need for affordable housing, improved transport infrastructure and waste disposal as well as sources of renewable energy and sustainable food production. These challenges can only be resolved if solutions are based on sound scientific evidence. Although we have knowledge and understanding of many individual processes in the natural sciences it is clear that a single science discipline is unable to answer the questions and their inter-relationships. Modern science increasingly employs computer models to simulate the natural, economic and human system. Management and planning requires scenario modelling, forecasts and ‘predictions’. Although the outputs are often impressive in terms of apparent accuracy and visualisation, they are inherently not suited to simulate the response to feedbacks from other models of the earth system, such as the impact of human actions. Geological Survey Organisations (GSO) are increasingly employing advances in Information Technology to visualise and improve their understanding of geological systems. Instead of 2 dimensional paper maps and reports many GSOs now produce 3 dimensional geological framework models and groundwater flow models as their standard output. Additionally the British Geological Survey have developed standard routines to link geological

  3. Modelling the fate of hydrophobic organic contaminants in a boreal forest catchment: a cross disciplinary approach to assessing diffuse pollution to surface waters.

    Science.gov (United States)

    Bergknut, Magnus; Meijer, Sandra; Halsall, Crispin; Agren, Anneli; Laudon, Hjalmar; Köhler, Stephan; Jones, Kevin C; Tysklind, Mats; Wiberg, Karin

    2010-09-01

    The fate of hydrophobic organic compounds (HOCs) in soils and waters in a northern boreal catchment was explored through the development of a chemical fate model in a well-characterised catchment system dominated by two land types: forest and mire. Input was based solely on atmospheric deposition, dominated by accumulation in the winter snowpack. Release from soils was governed by the HOC concentration in soil, the soil organic carbon fraction and soil-water DOC content. The modelled export of selected HOCs in surface waters ranged between 11 and 250 ng day(-1) during the snow covered period, compared to 200 and 9600 ng/d during snow-melt; highlighting the importance of the snow pack as a source of these chemicals. The predicted levels of HOCs in surface water were in reasonable agreement to a limited set of measured values, although the model tended to over predict concentrations of HOCs for the forested sub-catchment, by over an order of magnitude in the case of hexachlorobenzene and PCB 180. This possibly reflects both the heterogeneity of the forest soils and the complicated and changing hydrology experienced between the different seasons.

  4. The in vivo biodistribution and fate of CdSe quantum dots in the murine model: a laser ablation inductively coupled plasma mass spectrometry study.

    Science.gov (United States)

    Wang, TsingHai; Hsieh, HuiAn; Hsieh, YiKong; Chiang, ChiShiun; Sun, YuhChang; Wang, ChuFang

    2012-12-01

    Understanding the cytotoxicity of quantum dots strongly relies upon the development of new analytical techniques to gather information about various aspects of the system. In this study, we demonstrate the in vivo biodistribution and fate of CdSe quantum dots in the murine model by means of laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). By comparing the hot zones of each element acquired from LA-ICP-MS with those in fluorescence images, together with hematoxylin and eosin-stained images, we are able to perceive the fate and in vivo interactions between quantum dots and rat tissues. One hour after intravenous injection, we found that all of the quantum dots had been concentrated inside the spleen, liver and kidneys, while no quantum dots were found in other tissues (i.e., muscle, brain, lung, etc.). In the spleen, cadmium-114 signals always appeared in conjunction with iron signals, indicating that the quantum dots had been filtered from main vessels and then accumulated inside splenic red pulp. In the liver, the overlapped hot zones of quantum dots and those of phosphorus, copper, and zinc showed that these quantum dots have been retained inside hepatic cells. Importantly, it was noted that in the kidneys, quantum dots went into the cortical areas of adrenal glands. At the same time, hot zones of copper appeared in proximal tubules of the cortex. This could be a sign that the uptake of quantum dots initiates certain immune responses. Interestingly, the intensity of the selenium signals was not proportional to that of cadmium in all tissues. This could be the result of the decomposition of the quantum dots or matrix interference. In conclusion, the advantage in spatial resolution of LA-ICP-MS is one of the most powerful tools to probe the fate, interactions and biodistribution of quantum dots in vivo.

  5. Experimental methodology for assessing the environmental fate of organic chemicals in polymer matrices using column leaching studies and OECD 308 water/sediment systems: Application to tire and road wear particles.

    Science.gov (United States)

    Unice, Kenneth M; Bare, Jennifer L; Kreider, Marisa L; Panko, Julie M

    2015-11-15

    Automobile tires require functional rubber additives including curing agents and antioxidants, which are potentially environmentally available from tire and road wear particles (TRWP) deposited in soil and sediment. A novel methodology was employed to evaluate the environmental fate of three commonly-used tire chemicals (N-cyclohexylbenzothiazole-2-sulfenamide (CBS), N-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine (6-PPD) and 1,3-diphenylguanidine (DPG)), using a road simulator, an artificial weathering chamber, column leaching tests, and OECD 308 sediment/water incubator studies. Environmental release factors were quantified for curing (f(C)), tire wear (f(W)), terrestrial weathering (f(S)), leaching from TRWP (f(L)), and environmental availability from TRWP (f(A)) by liquid chromatography-tandem mass spectroscopy (LC/MS/MS) analyses. Cumulative fractions representing total environmental availability (F(T)) and release to water (FR) were calculated for the tire chemicals and 13 transformation products. F(T) for CBS, DPG and 6-PPD inclusive of transformation products for an accelerated terrestrial aging time in soil of 0.1 years was 0.08, 0.1, and 0.06, respectively (equivalent to 6 to 10% of formulated mass). In contrast, a wider range of 5.5×10(-4) (6-PPD) to 0.06 (CBS) was observed for F(R) at an accelerated age of 0.1 years, reflecting the importance of hydrophobicity and solubility for determining the release to the water phase. Significant differences (p<0.05) in the weathering factor, f(S), were observed when chemicals were categorized by boiling point or hydrolysis rate constant. A significant difference in the leaching factor, f(L), and environmental availability factor, f(A), was also observed when chemicals were categorized by log K(ow). Our methodology should be useful for lifecycle analysis of other functional polymer chemicals. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Model comparisons and genetic and environmental parameter ...

    African Journals Online (AJOL)

    arc

    South African Journal of Animal Science 2005, 35 (1) ... Genetic and environmental parameters were estimated for pre- and post-weaning average daily gain ..... and BWT (and medium maternal genetic correlations) indicates that these traits ...

  7. Green technical innovation,environmental expenditure,and the environmental Kuznets curve:a dynamics model

    Institute of Scientific and Technical Information of China (English)

    Cai Zhonghua

    2008-01-01

    The relationship between the emission of pollutant and economic growth has attracted a lot of attention in the environmental debate of the recent decades.Based on some theoretical and empirical research on environmental Kuznets curve(EKC),this paper introduces the environmental technical innovation and environmental investmen into Solow growth model to discuss the relationship between GDP per capital and the emission of pollutant.By the dvnamic simulation and parameters analysis,the results of the model indicate(1) when "green"technical progress and environmental investment are.fixed,the relationship between GDP per capital and the emission shows the linear elationship;(2)"green"technical progress can lead to the positive growth rates with a decreasing level of emision,which is compatible with an EKC;(3) the proportion of the environmental investment can lead the different growth rates and level of emission.These results can explain that developing countries are"too poor to be green".

  8. Data Sources Available for Modeling Environmental Exposures in Older Adults

    Science.gov (United States)

    This report, “Data Sources Available for Modeling Environmental Exposures in Older Adults,” focuses on information sources and data available for modeling environmental exposures in the older U.S. population, defined here to be people 60 years and older, with an emphasis on those...

  9. Unmix 6.0 Model for environmental data analyses

    Science.gov (United States)

    Unmix Model is a mathematical receptor model developed by EPA scientists that provides scientific support for the development and review of the air and water quality standards, exposure research, and environmental forensics.

  10. Modelling of Electrokinetic Processes in Civil and Environmental Engineering Applications

    DEFF Research Database (Denmark)

    Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.

    2011-01-01

    A mathematical model for the electrokinetic phenomena is described. Numerical simulations of different applications of electrokinetic techniques to the fields of civil and environmental engineering are included, showing the versatility and consistency of the model. The electrokinetics phenomena...

  11. Coupling a continuous watershed-scale microbial fate and transport model with a stochastic dose-response model to estimate risk of illness in an urban watershed.

    Science.gov (United States)

    Liao, Hehuan; Krometis, Leigh-Anne H; Kline, Karen

    2016-05-01

    Within the United States, elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments requiring formal remediation plans under the federal Clean Water Act's Total Maximum Daily Load (TMDL) program. The sufficiency of compliance with numerical FIB criteria as the targeted endpoint of TMDL remediation plans may be questionable given poor correlations between FIB and pathogenic microorganisms and varying degrees of risk associated with exposure to different fecal pollution sources (e.g. human vs animal). The present study linked a watershed-scale FIB fate and transport model with a dose-response model to continuously predict human health risks via quantitative microbial risk assessment (QMRA), for comparison to regulatory benchmarks. This process permitted comparison of risks associated with different fecal pollution sources in an impaired urban watershed in order to identify remediation priorities. Results indicate that total human illness risks were consistently higher than the regulatory benchmark of 36 illnesses/1000 people for the study watershed, even when the predicted FIB levels were in compliance with the Escherichia coli geometric mean standard of 126CFU/100mL. Sanitary sewer overflows were associated with the greatest risk of illness. This is of particular concern, given increasing indications that sewer leakage is ubiquitous in urban areas, yet not typically fully accounted for during TMDL development. Uncertainty analysis suggested the accuracy of risk estimates would be improved by more detailed knowledge of site-specific pathogen presence and densities. While previous applications of the QMRA process to impaired waterways have mostly focused on single storm events or hypothetical situations, the continuous modeling framework presented in this study could be integrated into long-term water quality management planning, especially the United States' TMDL program, providing greater clarity to watershed

  12. A mathematical model for environmental risk assessment in manufacturing industry

    Institute of Scientific and Technical Information of China (English)

    何莉萍; 徐盛明; 陈大川; 党创寅

    2002-01-01

    Environmental conscious manufacturing has become an important issue in industry because of market pressure and environmental regulations. An environmental risk assessment model was developed based on the network analytic method and fuzzy set theory. The "interval analysis method" was applied to deal with the on-site monitoring data as basic information for assessment. In addition, the fuzzy set theory was employed to allow uncertain, interactive and dynamic information to be effectively incorporated into the environmental risk assessment. This model is a simple, practical and effective tool for evaluating the environmental risk of manufacturing industry and for analyzing the relative impacts of emission wastes, which are hazardous to both human and ecosystem health. Furthermore, the model is considered useful for design engineers and decision-maker to design and select processes when the costs, environmental impacts and performances of a product are taken into consideration.

  13. Aldrin and dieldrin: a review of research on their production, environmental deposition and fate, bioaccumulation, toxicology, and epidemiology in the United States.

    Science.gov (United States)

    Jorgenson, J L

    2001-01-01

    In the last decade four international agreements have focused on a group of chemical substances known as persistent organic pollutants (POPs). Global agreement on the reduction and eventual elimination of these substances by banning their production and trade is a long-term goal. Negotiations for these agreements have focused on the need to correlate data from scientists working on soil and water sampling and air pollution monitoring. Toxicologists and epidemiologists have focused on wildlife and human health effects and understanding patterns of disease requires better access to these data. In the last 20 years, substantial databases have been created and now are becoming available on the Internet. This review is a detailed examination of 2 of the 12 POPs, aldrin and dieldrin, and how scientific groups identify and measure their effects. It draws on research findings from a variety of environmental monitoring networks in the United States. An overview of the ecologic and health effects of aldrin and dieldrin provides examples of how to streamline some of the programs and improve access to mutually useful scientific data. The research groups are located in many government departments, universities, and private organizations. Identifying databases can provide an "information accelerator" useful to a larger audience and can help build better plant and animal research models across scientific fields. PMID:11250811

  14. Quantum correlations dynamics under different non-markovian environmental models

    CERN Document Server

    Zhang, Ying-Jie; Shan, Chuan-Jia; Xia, Yun-Jie

    2011-01-01

    We investigate the roles of different environmental models on quantum correlation dynamics of two-qubit composite system interacting with two independent environments. The most common environmental models (the single-Lorentzian model, the squared-Lorentzian model, the two-Lorentzian model and band-gap model) are analyzed. First, we note that for the weak coupling regime, the monotonous decay speed of the quantum correlation is mainly determined by the spectral density functions of these different environments. Then, by considering the strong coupling regime we find that, contrary to what is stated in the weak coupling regime, the dynamics of quantum correlation depends on the non-Markovianity of the environmental models, and is independent of the environmental spectrum density functions.

  15. A review of mathematical models in economic environmental problems

    DEFF Research Database (Denmark)

    Nahorski, Z.; Ravn, H.F.

    2000-01-01

    The paper presents a review of mathematical models used,in economic analysis of environmental problems. This area of research combines macroeconomic models of growth, as dependent on capital, labour, resources, etc., with environmental models describing such phenomena like natural resources...... exhaustion or pollution accumulation and degradation. In simpler cases the models can be treated analytically and the utility function can be optimized using, e.g., such tools as the maximum principle. In more complicated cases calculation of the optimal environmental policies requires a computer solution....

  16. From emission to ecotoxicity: comparative assessment of fate and ecotoxicity in LCA using USEtox

    DEFF Research Database (Denmark)

    The USEtox model was developed in a scientific consensus process involving comparison of and harmonization between existing environmental multimedia fate models. For life cycle impact assessment, USEtox may be used as a comparative tool for ecosystem and human toxicity. As a characterization model......-life in various media, and the treatment of intermittent rain in the model. The interplay between these parameters and the model, which assumes a typical ratio of water to land surface area, shows that direct air to water transfer is less important for many hydrophilic chemicals than might be suspected......, it covers the entire impact pathway transforming a chemical emission into potential impacts on freshwater ecosystems based on quantitative modeling of fate, exposure and ecotoxicity effects. Taken together, these are represented as chemical-specific characterization factors (CFs). In the case of freshwater...

  17. CAirTOX: A compartment model for assessing the fate of and human exposure to toxic-chemical emissions to air

    Energy Technology Data Exchange (ETDEWEB)

    McKone, T.E.

    1993-10-01

    CAirTOX has been developed as a spreadsheet model to assist in making a risk assessment of toxic air emissions. With CAirTOX, one can address how contaminants released to an air basin can lead to contamination of soil, food, surface water, and sediments. The modeling effort includes a multimedia transport and transformation model, exposure scenario models, and efforts to quantify uncertainty in multimedia, multiple-pathway exposure assessments. The multimedia transport and transformation model is a steady-state, but non-equilibrium model that can be used to assess concentrations of contaminants released continuously to air. In Part 1, the authors describe the multimedia transport and transformation model used to determine the fate of air emissions. In Part 2, they describe inputs and data needs for CAirTOX and the development of a set of landscape factors, which can be used to represent regional air basin/water-shed systems in California. In Part 3, they describe the multiple-pathway exposure scenarios and exposure algorithms. In Part 4, they compare the HRA approach and results and the CAirTOX exposure equations. In Part 5, they consider model sensitivity and uncertainty to determine how variability and uncertainty in model inputs affects the precision, accuracy, and credibility of the model output.

  18. REDUCING UNCERTAINTIES IN MODEL PREDICTIONS VIA HISTORY MATCHING OF CO2 MIGRATION AND REACTIVE TRANSPORT MODELING OF CO2 FATE AT THE SLEIPNER PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Chen

    2015-03-31

    An important question for the Carbon Capture, Storage, and Utility program is “can we adequately predict the CO2 plume migration?” For tracking CO2 plume development, the Sleipner project in the Norwegian North Sea provides more time-lapse seismic monitoring data than any other sites, but significant uncertainties still exist for some of the reservoir parameters. In Part I, we assessed model uncertainties by applying two multi-phase compositional simulators to the Sleipner Benchmark model for the uppermost layer (Layer 9) of the Utsira Sand and calibrated our model against the time-lapsed seismic monitoring data for the site from 1999 to 2010. Approximate match with the observed plume was achieved by introducing lateral permeability anisotropy, adding CH4 into the CO2 stream, and adjusting the reservoir temperatures. Model-predicted gas saturation, CO2 accumulation thickness, and CO2 solubility in brine—none were used as calibration metrics—were all comparable with the interpretations of the seismic data in the literature. In Part II & III, we evaluated the uncertainties of predicted long-term CO2 fate up to 10,000 years, due to uncertain reaction kinetics. Under four scenarios of the kinetic rate laws, the temporal and spatial evolution of CO2 partitioning into the four trapping mechanisms (hydrodynamic/structural, solubility, residual/capillary, and mineral) was simulated with ToughReact, taking into account the CO2-brine-rock reactions and the multi-phase reactive flow and mass transport. Modeling results show that different rate laws for mineral dissolution and precipitation reactions resulted in different predicted amounts of trapped CO2 by carbonate minerals, with scenarios of the conventional linear rate law for feldspar dissolution having twice as much mineral trapping (21% of the injected CO2) as scenarios with a Burch-type or Alekseyev et al.–type rate law for feldspar dissolution (11%). So far, most reactive transport modeling (RTM) studies for

  19. Imaging long-term fate of intramyocardially implanted mesenchymal stem cells in a porcine myocardial infarction model.

    Directory of Open Access Journals (Sweden)

    Emerson C Perin

    Full Text Available The long-term fate of stem cells after intramyocardial delivery is unknown. We used noninvasive, repetitive PET/CT imaging with [(18F]FEAU to monitor the long-term (up to 5 months spatial-temporal dynamics of MSCs retrovirally transduced with the sr39HSV1-tk gene (sr39HSV1-tk-MSC and implanted intramyocardially in pigs with induced acute myocardial infarction. Repetitive [(18F]FEAU PET/CT revealed a biphasic pattern of sr39HSV1-tk-MSC dynamics; cell proliferation peaked at 33-35 days after injection, in periinfarct regions and the major cardiac lymphatic vessels and lymph nodes. The sr39HSV1-tk-MSC-associated [(18F]FEAU signals gradually decreased thereafter. Cardiac lymphography studies using PG-Gd-NIRF813 contrast for MRI and near-infrared fluorescence imaging showed rapid clearance of the contrast from the site of intramyocardial injection through the subepicardial lymphatic network into the lymphatic vessels and periaortic lymph nodes. Immunohistochemical analysis of cardiac tissue obtained at 35 and 150 days demonstrated several types of sr39HSV1-tk expressing cells, including fibro-myoblasts, lymphovascular cells, and microvascular and arterial endothelium. In summary, this study demonstrated the feasibility and sensitivity of [(18F]FEAU PET/CT imaging for long-term, in-vivo monitoring (up to 5 months of the fate of intramyocardially injected sr39HSV1-tk-MSC cells. Intramyocardially transplanted MSCs appear to integrate into the lymphatic endothelium and may help improve myocardial lymphatic system function after MI.

  20. The application of DEA model in enterprise environmental performance auditing

    Science.gov (United States)

    Li, F.; Zhu, L. Y.; Zhang, J. D.; Liu, C. Y.; Qu, Z. G.; Xiao, M. S.

    2017-01-01

    As a part of society, enterprises have an inescapable responsibility for environmental protection and governance. This article discusses the feasibility and necessity of enterprises environmental performance auditing and uses DEA model calculate the environmental performance of Haier for example. The most of reference data are selected and sorted from Haier’s environmental reportspublished in 2008, 2009, 2011 and 2015, and some of the data from some published articles and fieldwork. All the calculation results are calculated by DEAP software andhave a high credibility. The analysis results of this article can give corporate managements an idea about using environmental performance auditing to adjust their corporate environmental investments capital quota and change their company’s environmental strategies.

  1. Dung longevity influences the fate of endozoochorically dispersed seeds in forest ecosystems

    National Research Council Canada - National Science Library

    Jaroszewicz, Bogdan; Piroznikow, Ewa

    2011-01-01

    ... (studied in the field) effects of endozoochory. The influence of environmental conditions on the fate of endozoochorically dispersed seeds and subsequent plant establishment is still not well understood...

  2. Prioritising chemicals used in personal care products in China for environmental risk assessment: application of the RAIDAR model.

    Science.gov (United States)

    Gouin, Todd; van Egmond, Roger; Price, Oliver R; Hodges, Juliet E N

    2012-06-01

    China represents a significant market for the sale of personal care products (PCPs). Given the continuous emission of hundreds of chemicals used in PCPs to waste water and the aquatic environment after regular use, methods for prioritising the environmental risk assessment for China are needed. In an effort to assess the prioritisation of chemicals used in PCPs in China, we have identified the chemical ingredients used in 2500 PCPs released to the Chinese market in 2009, and estimated the annual emission of these chemicals. The physical-chemical property data for these substances have been estimated and used as model inputs in the RAIDAR model. In general, the RAIDAR model provides an overall assessment of the multimedia fate of chemicals, and provides a holistic approach for prioritising chemical ingredients. The prioritisation exercise conducted in this study is shown to be strongly influenced by loss processes, such as the removal efficiencies of WWT plants and biotransformation.

  3. Title: Elucidation of Environmental Fate of Artificial Sweeteners (Aspartame, Acesulfame K and Saccharin) by Determining Bimolecular Rate Constants with Hydroxyl Radical at Various pH and Temperature Conditions and Possible Reaction By-Products

    Science.gov (United States)

    Teraji, T.; Arakaki, T.; Suzuka, T.

    2012-12-01

    Use of artificial sweeteners in beverages and food has been rapidly increasing because of their non-calorie nature. In Japan, aspartame, acesulfame K and sucralose are among the most widely used artificial sweeteners. Because the artificial sweeteners are not metabolized in human bodies, they are directly excreted into the environment without chemical transformations. We initiated a study to better understand the fate of artificial sweeteners in the marine environment. The hydroxyl radical (OH), the most potent reactive oxygen species, reacts with various compounds and determines the environmental oxidation capacity and the life-time of many compounds. The steady-state OH concentration and the reaction rate constants between the compound and OH are used to estimate the life-time of the compound. In this study, we determine the bimolecular rate constants between aspartame, acefulfame K and saccharin and OH at various pH and temperature conditions using a competition kinetics technique. We use hydrogen peroxide as a photochemical source of OH. Bimolecular rate constant we obtained so far for aspartame was (2.6±1.2)×109 M-1 s-1 at pH = 3.0 and (4.9±2.3)×109 M-1 s-1 at pH = 5.5. Little effect was seen by changing the temperatures between 15 and 40 oC. Activation energy (Ea) was calculated to be -1.0 kJ mol-1 at pH = 3.0, +8.5 kJ mol-1 at pH = 5.5, which could be regarded as zero. We will report bimolecular rate constants at different pHs and temperatures for acesulfame K and saccharin, as well. Possible reaction by-products for aspartame will be also reported. We will further discuss the fate of aspartame in the coastal environment.

  4. Demonstration of an Integrated Compliance Model for Predicting Copper Fate and Effects in DoD Harbors

    Science.gov (United States)

    2008-11-01

    A. Volpe. 2002. At-sea high-resolution trace element mapping: San Diego Bay and its plume in the adjacent coastal ocean. Environmental Science & Technology 36...contamination in two semi-enclosed embayments: San Diego Bay and South San Francisco Bay. Environmental Science & Technology 27(9): 1934-19.36...natural shore seawater and measurement of the Cu complexation capacity. Environmental Science & Technology 38(11): 3139-3147. Rivera-Duarte, I., G

  5. Biogeochemical fluxes and fate of diazotroph-derived nitrogen in the food web after a phosphate enrichment: modeling of the VAHINE mesocosms experiment

    Science.gov (United States)

    Gimenez, Audrey; Baklouti, Melika; Bonnet, Sophie; Moutin, Thierry

    2016-09-01

    The VAHINE mesocosm experiment in the oligotrophic waters of the Nouméa lagoon (New Caledonia), where high N2 fixation rates and abundant diazotroph organisms were observed, aimed to assess the role of the nitrogen input through N2 fixation in carbon production and export and to study the fate of diazotroph-derived nitrogen (DDN) throughout the planktonic food web. A 1-D vertical biogeochemical mechanistic model was used in addition to the in situ experiment to enrich our understanding of the dynamics of the planktonic ecosystem and the main biogeochemical carbon (C), nitrogen (N) and phosphate (P) fluxes. The mesocosms were intentionally enriched with ˜ 0.8 µmol L-1 of inorganic P to trigger the development of diazotrophs and amplify biogeochemical fluxes. Two simulations were run, one with and the other without the phosphate enrichment. In the P-enriched simulation, N2 fixation, primary production (PP) and C export increased by 201, 208 and 87 %, respectively, consistent with the trends observed in the mesocosms (+124, +141 and +261 % for N2 fixation, PP and C export, respectively). In total, 5-10 days were necessary to obtain an increase in primary and export productions after the dissolved inorganic phosphate (DIP) enrichment, thereby suggesting that classical methods (short-term microcosms experiments) used to quantify nutrient limitations of primary production may not be relevant. The model enabled us to monitor the fate of fixed N2 by providing the proportion of DDN in each compartment (inorganic and organic) of the model over time. At the end of the simulation (25 days), 43 % of the DDN was found in the non-diazotroph organisms, 33 % in diazotrophs, 16 % in the dissolved organic nitrogen pool, 3 % in the particulate detrital organic pool and 5 % in traps, indicating that N2 fixation was of benefit to non-diazotrophic organisms and contributed to C export.

  6. Environmental Management Model for Road Maintenance Operation Involving Community Participation

    Science.gov (United States)

    Triyono, A. R. H.; Setyawan, A.; Sobriyah; Setiono, P.

    2017-07-01

    Public expectations of Central Java, which is very high on demand fulfillment, especially road infrastructure as outlined in the number of complaints and community expectations tweeter, Short Mail Massage (SMS), e-mail and public reports from various media, Highways Department of Central Java province requires development model of environmental management in the implementation of a routine way by involving the community in order to fulfill the conditions of a representative, may serve road users safely and comfortably. This study used survey method with SEM analysis and SWOT with Latent Independent Variable (X), namely; Public Participation in the regulation, development, construction and supervision of road (PSM); Public behavior in the utilization of the road (PMJ) Provincial Road Service (PJP); Safety in the Provincial Road (KJP); Integrated Management System (SMT) and latent dependent variable (Y) routine maintenance of the provincial road that is integrated with the environmental management system and involve the participation of the community (MML). The result showed the implementation of routine maintenance of road conditions in Central Java province has yet to implement an environmental management by involving the community; Therefore developed environmental management model with the results of H1: Community Participation (PSM) has positive influence on the Model of Environmental Management (MML); H2: Behavior Society in Jalan Utilization (PMJ) positive effect on Model Environmental Management (MML); H3: Provincial Road Service (PJP) positive effect on Model Environmental Management (MML); H4: Safety in the Provincial Road (KJP) positive effect on Model Environmental Management (MML); H5: Integrated Management System (SMT) has positive influence on the Model of Environmental Management (MML). From the analysis obtained formulation model describing the relationship / influence of the independent variables PSM, PMJ, PJP, KJP, and SMT on the dependent variable

  7. 1987 Oak Ridge model conference: Proceedings: Volume 2, Environmental protection

    Energy Technology Data Exchange (ETDEWEB)

    1987-01-01

    See the abstract for Volume I for general information on the conference. Topics discussed in Volume II include data management techiques for environmental protection efforts, the use of models in environmental auditing, in emergency plans, chemical accident emergency response, risk assessment, monitoring of waste sites, air and water monitoring of waste sites, and in training programs. (TEM)

  8. Modeling Environmental Literacy of Malaysian Pre-University Students

    Science.gov (United States)

    Shamuganathan, Sheila; Karpudewan, Mageswary

    2015-01-01

    In this study attempt was made to model the environmental literacy of Malaysian pre-university students enrolled in a matriculation college. Students enrolled in the matriculation colleges in Malaysia are the top notch students in the country. Environmental literacy of this group is perceived important because in the future these students will be…

  9. Application of Health Promotion Theories and Models for Environmental Health

    Science.gov (United States)

    Parker, Edith A.; Baldwin, Grant T.; Israel, Barbara; Salinas, Maria A.

    2004-01-01

    The field of environmental health promotion gained new prominence in recent years as awareness of physical environmental stressors and exposures increased in communities across the country and the world. Although many theories and conceptual models are used routinely to guide health promotion and health education interventions, they are rarely…

  10. Assessment of climate change impact on the fates of polycyclic aromatic hydrocarbons in the multimedia environment based on model prediction.

    Science.gov (United States)

    Cai, Juan Juan; Song, Jee Hey; Lee, Yunah; Lee, Dong Soo

    2014-02-01

    The objective was to quantitatively understand the impacts of climate change (CC) under the A1B scenario on the contamination levels of 11 polycyclic aromatic hydrocarbons (PAHs) from pyrogenic sources in the environmental media based on model prediction. To predict the impacts of CC in South Korea, a revised version of KoEFT-PBTs, a dynamic multimedia model for persistent organic pollutants in South Korea, was used. Simulations were conducted for the period from 2000 to 2049 under the A1B scenario with the emission data for 2009 and the results for Seoul and Kangwon were compared to those under no climate change (NCC) scenario. Due to CC, the average of annual or monthly average concentration changes within a factor of two for the PAHs in air, soil and water. Time dependent comparison indicates that the maximum increase induced by CC in the monthly average concentration ranges from 10 to 10(2) in air and water. Change in advective flux due to wind speed difference between A1B and NCC dictates the change of the atmospheric PAHs levels while wet particle deposition due to rain rate difference contributes to some extent to the change of 5 and 6 ring PAHs. Whether the concentration change is positive or not depends primarily on the emission strength of internal sources relative to those in surrounding areas. The CC induced changes in atmospheric depositions and degradation rate in soil play a leading role in the change of soil concentration. In water, runoff and degradation are the key processes to the CC induced concentration change. Both in soil and water, the relative importance of individual key processes varies with PAHs. The difference between the two scenarios in wind speed and in rain rate shows stronger correlations with the concentration change than the temperature change. © 2013 Elsevier B.V. All rights reserved.

  11. Modelling the environmental transfer of phthalates and polychlorinated dibenzo-p-dioxins and dibenzofurans into agricultural products: the EN-forc model.

    Science.gov (United States)

    Fierens, T; Cornelis, C; Standaert, A; Sioen, I; De Henauw, S; Van Holderbeke, M

    2014-08-01

    This study aimed to predict the occurrence of four phthalates, two polychlorinated dibenzo-p-dioxins and two polychlorinated dibenzofurans in environmental and agricultural media from observed concentrations in air, sludge, manure and concentrate. For the environmental and agricultural fate modelling, the newly developed multimedia model "EN-forc" (ENvironmental Food transfer model for ORganic Contaminants) was used. To validate EN-forc calculations, the predicted concentrations of the considered chemicals in soil, groundwater, drinking water, plants and animal products were compared with both observed and modelled concentrations available in the literature. For the majority of the considered matrices, predicted phthalate and dioxin levels differed one order of magnitude at most with observed concentrations. Unfortunately, the transfer models implemented in EN-forc lacked power to predict levels of some phthalates and dioxins in pasture, root crops and/or tubers. Concentrations of phthalates and dioxins in offal could not be predicted due to the absence of suitable models that have an acceptable level of complexity to implement in EN-forc. For this type of food products, further research is highly encouraged. In a next step, the modelling framework of EN-forc will be extended in order to be able to predict human dietary exposure to organic chemicals like phthalates and dioxins.

  12. Assessing the environmental fate of S-metolachlor, its commercial product Mercantor Gold® and their photoproducts using a water-sediment test and in silico methods.

    Science.gov (United States)

    Gutowski, Lukasz; Baginska, Ewelina; Olsson, Oliver; Leder, Christoph; Kümmerer, Klaus

    2015-11-01

    Pesticides enter surface and groundwater by several routes in which partition to sediment contributes to their fate by abiotic (e.g. photolysis, hydrolysis) and biotic processes. Yet, little is known about S-metolachlor (SM) transformation in water-sediment systems. Therefore, a newly developed screening water-sediment test (WST) was applied to compare biodegradation and sorption processes between pure SM and Mercantor Gold® (MG), a commercial formulation of SM. Photolysis in water was performed by Xe lamp irradiation. Subsequently, the biodegradability of SM and MG photolysis mixtures was examined in WST. The primary elimination of SM from water phase was monitored and structures of its TPs resulting from biotransformation (bio-TPs) were elucidated by LC-MS/MS. SM was extracted from sediment in order to estimate the role of sorption in WST for its elimination. A set of in silico prediction software tools was applied for toxicity assessment of SM and its bio-TPs. Obtained results suggest that the MG adjuvants do not significantly affect biodegradation, but do influence diffusion of SM into sediment. 50% of SM could not be re-extracted from sediment with 0.01 M CaCl2 aqueous solution recommended in OECD test guideline for adsorption. Neither the parent compound nor the photo-TPs were biodegraded. However, new bio-TPs have been generated from SM and MG photo-TPs due to bacterial activity in the water-sediment interphase. Moreover, according to in silico assessment of the bio-TPs the biotransformation might lead to an increased toxicity to the water organisms compared with the SM. This might raise concerns of bio-TPs presence in the environment.

  13. Monitoring, chemical fate modelling and uncertainty assessment in combination: a tool for evaluating emission control scenarios for micropollutants in stormwater systems

    DEFF Research Database (Denmark)

    Mikkelsen, Peter Steen; Vezzaro, Luca; Birch, Heidi

    2012-01-01

    Stormwater discharges can represent significant sources of micropollutants (MP), including heavy metals and xenobiotic organic compounds that may pose a toxicity risk to aquatic ecosystems. Control of stormwater quality and reduction of MP loads is therefore necessary for a sustainable stormwater...... management in urban areas, but it is strongly hampered by the general lack of field data on these substances. A framework for combining field monitoring campaigns with dynamic MP modelling tools and statistical methods for uncertainty analysis was hence developed to estimate MP fluxes and fate in stormwater...... on land usage allowed characterizing the catchment and identifying the major potential sources of stormwater MP. Monitoring of the pond inlet and outlet, as well as sediment analyses, allowed assessing the current situation and highlighted potential risks for the downstream surface water environment...

  14. Modelling land use change and environmental impact

    NARCIS (Netherlands)

    Veldkamp, A.; Verburg, P.H.

    2004-01-01

    Land use change models are tools for understanding and explaining the causes and consequences of land use dynamics. Recently, new models, combining knowledge and tools from biophysical and socio-economic sciences, have become available. This has resulted in spatially explicit models focussed on patt

  15. PEEX Modelling Platform for Seamless Environmental Prediction

    Science.gov (United States)

    Baklanov, Alexander; Mahura, Alexander; Arnold, Stephen; Makkonen, Risto; Petäjä, Tuukka; Kerminen, Veli-Matti; Lappalainen, Hanna K.; Ezau, Igor; Nuterman, Roman; Zhang, Wen; Penenko, Alexey; Gordov, Evgeny; Zilitinkevich, Sergej; Kulmala, Markku

    2017-04-01

    The Pan-Eurasian EXperiment (PEEX) is a multidisciplinary, multi-scale research programme stared in 2012 and aimed at resolving the major uncertainties in Earth System Science and global sustainability issues concerning the Arctic and boreal Northern Eurasian regions and in China. Such challenges include climate change, air quality, biodiversity loss, chemicalization, food supply, and the use of natural resources by mining, industry, energy production and transport. The research infrastructure introduces the current state of the art modeling platform and observation systems in the Pan-Eurasian region and presents the future baselines for the coherent and coordinated research infrastructures in the PEEX domain. The PEEX modeling Platform is characterized by a complex seamless integrated Earth System Modeling (ESM) approach, in combination with specific models of different processes and elements of the system, acting on different temporal and spatial scales. The ensemble approach is taken to the integration of modeling results from different models, participants and countries. PEEX utilizes the full potential of a hierarchy of models: scenario analysis, inverse modeling, and modeling based on measurement needs and processes. The models are validated and constrained by available in-situ and remote sensing data of various spatial and temporal scales using data assimilation and top-down modeling. The analyses of the anticipated large volumes of data produced by available models and sensors will be supported by a dedicated virtual research environment developed for these purposes.

  16. Coupling a continuous watershed-scale microbial fate and transport model with a stochastic dose-response model to estimate risk of illness in an urban watershed

    Energy Technology Data Exchange (ETDEWEB)

    Liao, Hehuan, E-mail: hehuan86@vt.edu [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Krometis, Leigh-Anne H. [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Kline, Karen [Department of Biological Systems Engineering, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States); Center for Watershed Studies, Virginia Tech, 155 Ag Quad Lane, Blacksburg, VA 24061 (United States)

    2016-05-01

    Within the United States, elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments requiring formal remediation plans under the federal Clean Water Act's Total Maximum Daily Load (TMDL) program. The sufficiency of compliance with numerical FIB criteria as the targeted endpoint of TMDL remediation plans may be questionable given poor correlations between FIB and pathogenic microorganisms and varying degrees of risk associated with exposure to different fecal pollution sources (e.g. human vs animal). The present study linked a watershed-scale FIB fate and transport model with a dose-response model to continuously predict human health risks via quantitative microbial risk assessment (QMRA), for comparison to regulatory benchmarks. This process permitted comparison of risks associated with different fecal pollution sources in an impaired urban watershed in order to identify remediation priorities. Results indicate that total human illness risks were consistently higher than the regulatory benchmark of 36 illnesses/1000 people for the study watershed, even when the predicted FIB levels were in compliance with the Escherichia coli geometric mean standard of 126 CFU/100 mL. Sanitary sewer overflows were associated with the greatest risk of illness. This is of particular concern, given increasing indications that sewer leakage is ubiquitous in urban areas, yet not typically fully accounted for during TMDL development. Uncertainty analysis suggested the accuracy of risk estimates would be improved by more detailed knowledge of site-specific pathogen presence and densities. While previous applications of the QMRA process to impaired waterways have mostly focused on single storm events or hypothetical situations, the continuous modeling framework presented in this study could be integrated into long-term water quality management planning, especially the United States' TMDL program, providing greater clarity to

  17. Environmental sustainability modeling with exergy methodology for building life cycle

    Institute of Scientific and Technical Information of China (English)

    刘猛; 姚润明

    2009-01-01

    As an important human activity,the building industry has created comfortable space for living and work,and at the same time brought considerable pollution and huge consumption of energy and recourses. From 1990s after the first building environmental assessment model-BREEAM was released in the UK,a number of assessment models were formulated as analytical and practical in methodology respectively. This paper aims to introduce a generic model of exergy assessment on environmental impact of building life cycle,taking into consideration of previous models and focusing on natural environment as well as building life cycle,and three environmental impacts will be analyzed,namely energy embodied exergy,resource chemical exergy and abatement exergy on energy consumption,resource consumption and pollutant discharge respectively. The model of exergy assessment on environmental impact of building life cycle thus formulated contains two sub-models,one from the aspect of building energy utilization,and the other from building materials use. Combining theories by ecologists such as Odum,building environmental sustainability modeling with exergy methodology is put forward with the index of exergy footprint of building environmental impacts.

  18. Modeling crop responses to environmental change

    Science.gov (United States)

    Rosenzweig, Cynthia

    1993-01-01

    Potential biophysical responses of crops to climate change are studied focusing on the primary environmental variables which define the limits to agricultural crop growth and production, and the principal methods for predicting climate change impacts on crop geography and production. It is concluded that the principal uncertainties in the prediction of the impacts of climate change on agriculture reside in the contribution of the direct effects of increasing CO2, in potential changes inclimate variability, and the effects of adjustments mechanisms in the context of climatic changes.

  19. Multiwalled Carbon Nanotube Deposition on Model Environmental Surfaces

    Science.gov (United States)

    Deposition of multiwalled carbon nanotubes (MWNTs) on model environmental surfaces was investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Deposition behaviors of MWNTs on positively and negatively charged surfaces were in good agreement with Der...

  20. Multiwalled Carbon Nanotube Deposition on Model Environmental Surfaces

    Science.gov (United States)

    Deposition of multiwalled carbon nanotubes (MWNTs) on model environmental surfaces was investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Deposition behaviors of MWNTs on positively and negatively charged surfaces were in good agreement with Der...

  1. ENVIRONMENTAL RESPONSIBILITY MODEL BASED ON ISO 14000 MANAGEMENT SYSTEMS

    Directory of Open Access Journals (Sweden)

    Catalina SITNIKOV

    2012-01-01

    Full Text Available Worldwide corporations, as well as their stakeholders, are more conscious of the need for environmental management, SR behaviour, and sustainable growth and development. International Standards are becoming more significant for corporations to work towards common environmental management practices. ISO 14001 is the first and the broadest standard intended at a more responsible approach of corporations and the world’s most acknowledged framework for environmental management systems that assists corporations to better manage the effect of their activities on the environment. This article aims to study ISO 14001 implementation and its effects on the environmental responsibility. A model will be built, which covers the environmental management system, the components of organizational culture, being able to influence environmental standards implementation.

  2. Assaying environmental nickel toxicity using model nematodes.

    Science.gov (United States)

    Rudel, David; Douglas, Chandler D; Huffnagle, Ian M; Besser, John M; Ingersoll, Christopher G

    2013-01-01

    Although nickel exposure results in allergic reactions, respiratory conditions, and cancer in humans and rodents, the ramifications of excess nickel in the environment for animal and human health remain largely undescribed. Nickel and other cationic metals travel through waterways and bind to soils and sediments. To evaluate the potential toxic effects of nickel at environmental contaminant levels (8.9-7,600 µg Ni/g dry weight of sediment and 50-800 µg NiCl2/L of water), we conducted assays using two cosmopolitan nematodes, Caenorhabditis elegans and Pristionchus pacificus. We assayed the effects of both sediment-bound and aqueous nickel upon animal growth, developmental survival, lifespan, and fecundity. Uncontaminated sediments were collected from sites in the Midwestern United States and spiked with a range of nickel concentrations. We found that nickel-spiked sediment substantially impairs both survival from larval to adult stages and adult longevity in a concentration-dependent manner. Further, while aqueous nickel showed no adverse effects on either survivorship or longevity, we observed a significant decrease in fecundity, indicating that aqueous nickel could have a negative impact on nematode physiology. Intriguingly, C. elegans and P. pacificus exhibit similar, but not identical, responses to nickel exposure. Moreover, P. pacificus could be tested successfully in sediments inhospitable to C. elegans. Our results add to a growing body of literature documenting the impact of nickel on animal physiology, and suggest that environmental toxicological studies could gain an advantage by widening their repertoire of nematode species.

  3. Assaying environmental nickel toxicity using model nematodes.

    Directory of Open Access Journals (Sweden)

    David Rudel

    Full Text Available Although nickel exposure results in allergic reactions, respiratory conditions, and cancer in humans and rodents, the ramifications of excess nickel in the environment for animal and human health remain largely undescribed. Nickel and other cationic metals travel through waterways and bind to soils and sediments. To evaluate the potential toxic effects of nickel at environmental contaminant levels (8.9-7,600 µg Ni/g dry weight of sediment and 50-800 µg NiCl2/L of water, we conducted assays using two cosmopolitan nematodes, Caenorhabditis elegans and Pristionchus pacificus. We assayed the effects of both sediment-bound and aqueous nickel upon animal growth, developmental survival, lifespan, and fecundity. Uncontaminated sediments were collected from sites in the Midwestern United States and spiked with a range of nickel concentrations. We found that nickel-spiked sediment substantially impairs both survival from larval to adult stages and adult longevity in a concentration-dependent manner. Further, while aqueous nickel showed no adverse effects on either survivorship or longevity, we observed a significant decrease in fecundity, indicating that aqueous nickel could have a negative impact on nematode physiology. Intriguingly, C. elegans and P. pacificus exhibit similar, but not identical, responses to nickel exposure. Moreover, P. pacificus could be tested successfully in sediments inhospitable to C. elegans. Our results add to a growing body of literature documenting the impact of nickel on animal physiology, and suggest that environmental toxicological studies could gain an advantage by widening their repertoire of nematode species.

  4. Assaying environmental nickel toxicity using model nematodes

    Science.gov (United States)

    Rudel, David; Douglas, Chandler; Huffnagle, Ian; Besser, John M.; Ingersoll, Christopher G.

    2013-01-01

    Although nickel exposure results in allergic reactions, respiratory conditions, and cancer in humans and rodents, the ramifications of excess nickel in the environment for animal and human health remain largely undescribed. Nickel and other cationic metals travel through waterways and bind to soils and sediments. To evaluate the potential toxic effects of nickel at environmental contaminant levels (8.9-7,600 µg Ni/g dry weight of sediment and 50-800 µg NiCl2/L of water), we conducted assays using two cosmopolitan nematodes, Caenorhabditis elegans and Pristionchus pacificus. We assayed the effects of both sediment-bound and aqueous nickel upon animal growth, developmental survival, lifespan, and fecundity. Uncontaminated sediments were collected from sites in the Midwestern United States and spiked with a range of nickel concentrations. We found that nickel-spiked sediment substantially impairs both survival from larval to adult stages and adult longevity in a concentration-dependent manner. Further, while aqueous nickel showed no adverse effects on either survivorship or longevity, we observed a significant decrease in fecundity, indicating that aqueous nickel could have a negative impact on nematode physiology. Intriguingly, C. elegansand P. pacificus exhibit similar, but not identical, responses to nickel exposure. Moreover, P. pacificus could be tested successfully in sediments inhospitable to C. elegans. Our results add to a growing body of literature documenting the impact of nickel on animal physiology, and suggest that environmental toxicological studies could gain an advantage by widening their repertoire of nematode species.

  5. Oil-material fractionation in Gulf deep water horizontal intrusion layer: Field data analysis with chemodynamic fate model for Macondo 252 oil spill.

    Science.gov (United States)

    Melvin, A T; Thibodeaux, L J; Parsons, A R; Overton, E; Valsaraj, K T; Nandakumar, K

    2016-04-15

    Among the discoveries of the Deepwater Horizon blowout was the so-called "sub-surface plume"; herein termed the "oil-trapping layer". Hydrocarbons were found positioned at ~1100-1300m with thickness ~100-150m and moving horizontally to the SW in a vertically stratified layer at the junction of the cold abyssal water and the permanent thermocline. This study focuses on its formation process and fate of the hydrocarbons within. The originality of this work to the field is two-fold, first it provides a conceptual framework which places layer origin in the context of a horizontal "intrusion" from the near-field, vertical, blow-out plume and second, it offers a theoretical model for the hydrocarbon chemicals within the horizontal layer as it moves far-afield. The model quantifies the oil-material fractionation process for the soluble and fine particle. The classical Box model, retrofitted with an internal gradient, the "G-Box", allows an approach that includes turbulent eddy diffusion coupled with droplet rise velocity and reactive decay to produce a simple, explicit, transparent, algebraic model with few parameters for the fate of the individual fractions. Computations show the soluble and smallest liquid droplets moving very slowly vertically through the layer appearing within the trapping layer at low concentration with high persistence. The larger droplets move-through this trapping zone quickly, attain high concentrations, and eventually form the sea surface slick. It impacts the field of oil spill engineering science by providing the conceptual idea and the algorithms for projecting the quantities and fractions of oil-material in a deep water, horizontal marine current being dispersed and moving far afield. In the field of oil spill modeling this work extends the current generation near-field plume source models to the far-field. The theory portrays the layer as an efficient oil-material trap. The model-forecasted concentration profiles for alkanes and aromatics

  6. A conceptual model for determining oil fate and effects on habitat and wildlife in the Arctic in support of natural resource damage assessment planning

    Energy Technology Data Exchange (ETDEWEB)

    Logerwell, Elizabeth A. [Alaska Fisheries Science Center, National Marine Fisheries CService (United States)], email: libby.logerwell@noaa.gov; Campbell Baker, Mary [Office of Response and Restoration, National Ocean Sevice (United States)

    2011-07-01

    This paper uses an initial conceptual model to illustrate the relationships between oil fate and the effects on habitat and wildlife in the Arctic. These relationships are mainly among biotic, abiotic, and anthropogenic components of the system, pathways for oil to reach components, and how ecosystem components may be affected by oil. The results of applying the model to Arctic cod showed that this species would be an important focus of assessment after an oil spill happening in spring or summer. According to the existing literature, significant n