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Sample records for fate modelling based

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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...

  11. 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.

  12. 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

  13. 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

  14. 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...

  15. 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

  16. 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

  17. 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.

  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. 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.

  20. 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

  1. 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

  2. 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...

  3. 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....

  4. Quantitative microbial risk assessment for spray irrigation of dairy manure based on an empirical fate and transport model

    Science.gov (United States)

    Burch, Tucker R; Spencer, Susan K.; Stokdyk, Joel; Kieke, Burney A; Larson, Rebecca A; Firnstahl, Aaron; Rule, Ana M; Borchardt, Mark A.

    2017-01-01

    BACKGROUND: Spray irrigation for land-applying livestock manure is increasing in the United States as farms become larger and economies of scale make manure irrigation affordable. Human health risks from exposure to zoonotic pathogens aerosolized during manure irrigation are not well understood. OBJECTIVES: We aimed to a) estimate human health risks due to aerosolized zoonotic pathogens downwind of spray-irrigated dairy manure; and b) determine which factors (e.g., distance, weather conditions) have the greatest influence on risk estimates. METHODS: We sampled downwind air concentrations of manure-borne fecal indicators and zoonotic pathogens during 21 full-scale dairy manure irri- gation events at three farms. We fit these data to hierarchical empirical models and used model outputs in a quantitative microbial risk assessment (QMRA) to estimate risk [probability of acute gastrointestinal illness (AGI)] for individuals exposed to spray-irrigated dairy manure containing Campylobacter jejuni, enterohemorrhagic Escherichia coli (EHEC), or Salmonella spp. RESULTS: Median risk estimates from Monte Carlo simulations ranged from 10−5 to 10−2 and decreased with distance from the source. Risk estimates for Salmonella or EHEC-related AGI were most sensitive to the assumed level of pathogen prevalence in dairy manure, while risk estimates for C. jejuni were not sensitive to any single variable. Airborne microbe concentrations were negatively associated with distance and positively associated with wind speed, both of which were retained in models as a significant predictor more often than relative humidity, solar irradiation, or temperature. CONCLUSIONS: Our model-based estimates suggest that reducing pathogen prevalence and concentration in source manure would reduce the risk of AGI from exposure to manure irrigation, and that increasing the distance from irrigated manure (i.e., setbacks) and limiting irrigation to times of low wind speed may also reduce risk.

  5. Models projecting the fate of fish populations under climate change need to be based on valid physiological mechanisms.

    Science.gov (United States)

    Lefevre, Sjannie; McKenzie, David J; Nilsson, Göran E

    2017-09-01

    Some recent modelling papers projecting smaller fish sizes and catches in a warmer future are based on erroneous assumptions regarding (i) the scaling of gills with body mass and (ii) the energetic cost of 'maintenance'. Assumption (i) posits that insurmountable geometric constraints prevent respiratory surface areas from growing as fast as body volume. It is argued that these constraints explain allometric scaling of energy metabolism, whereby larger fishes have relatively lower mass-specific metabolic rates. Assumption (ii) concludes that when fishes reach a certain size, basal oxygen demands will not be met, because of assumption (i). We here demonstrate unequivocally, by applying accepted physiological principles with reference to the existing literature, that these assumptions are not valid. Gills are folded surfaces, where the scaling of surface area to volume is not constrained by spherical geometry. The gill surface area can, in fact, increase linearly in proportion to gill volume and body mass. We cite the large body of evidence demonstrating that respiratory surface areas in fishes reflect metabolic needs, not vice versa, which explains the large interspecific variation in scaling of gill surface areas. Finally, we point out that future studies basing their predictions on models should incorporate factors for scaling of metabolic rate and for temperature effects on metabolism, which agree with measured values, and should account for interspecific variation in scaling and temperature effects. It is possible that some fishes will become smaller in the future, but to make reliable predictions the underlying mechanisms need to be identified and sought elsewhere than in geometric constraints on gill surface area. Furthermore, to ensure that useful information is conveyed to the public and policymakers about the possible effects of climate change, it is necessary to improve communication and congruity between fish physiologists and fisheries scientists. © 2017

  6. 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.

  7. 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

  8. 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

  9. 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?

  10. 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...

  11. 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.

  12. 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.

  13. 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...

  14. 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...

  15. Air-Sea Exchange of Legacy POPs in the North Sea Based on Results of Fate and Transport, and Shelf-Sea Hydrodynamic Ocean Models

    Directory of Open Access Journals (Sweden)

    Kieran O'Driscoll

    2014-04-01

    Full Text Available The air-sea exchange of two legacy persistent organic pollutants (POPs, γ-HCH and PCB 153, in the North Sea, is presented and discussed using results of regional fate and transport and shelf-sea hydrodynamic ocean models for the period 1996–2005. Air-sea exchange occurs through gas exchange (deposition and volatilization, wet deposition and dry deposition. Atmospheric concentrations are interpolated into the model domain from results of the EMEP MSC-East multi-compartmental model (Gusev et al, 2009. The North Sea is net depositional for γ-HCH, and is dominated by gas deposition with notable seasonal variability and a downward trend over the 10 year period. Volatilization rates of γ-HCH are generally a factor of 2–3 less than gas deposition in winter, spring and summer but greater in autumn when the North Sea is net volatilizational. A downward trend in fugacity ratios is found, since gas deposition is decreasing faster than volatilization. The North Sea is net volatilizational for PCB 153, with highest rates of volatilization to deposition found in the areas surrounding polluted British and continental river sources. Large quantities of PCB 153 entering through rivers lead to very high local rates of volatilization.

  16. 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.

  17. 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...

  18. 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.

  19. 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.

  20. 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...

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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...

  6. 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

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. Fate of invading bacteria in soil and survival of transformants after simulated uptake of transgenes, as evaluated by a model system based on lindane degradation.

    Science.gov (United States)

    Zhang, Xiaojun; Nesme, Joseph; Simonet, Pascal; Frostegård, Asa

    2012-04-01

    Emergence of bacteria carrying new traits resulting from mutations, gene synthesis by gene-shuffling or acquisition of exogenous DNA underpins the need to better understand factors influencing their spread and establishment. Studies of soils may be difficult, since the gene of interest is often already present in high numbers. The gene linA, responsible for the first dechlorination steps during degradation of lindane (γ-hexachlorocyclohexane), has low background levels in soil and is simple to detect. Development of transgenic plants containing linA and newly proposed approaches to bioremediation by in situ electrotransformation after addition of a vector carrying this gene call for documentation on the fate of bacteria that incorporate it. We inserted linA into the broad-host-range conjugative RP4-plasmid and transferred it to different soil bacteria which were inoculated into soil microcosms in the presence/absence of lindane. Similar experiments were performed using Sphingobium francense Sp+, which carries all genes for complete lindane degradation. This strain increased in numbers during lindane mineralization, but other bacteria increased more, resulting in a modified bacterial community structure. The engineered strains decreased below the detection limit, but rose in numbers after nutrient addition, demonstrating that new invading bacteria may persist in soil in the form of small populations over extended time periods.

  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. 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

  16. 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.

  17. 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.

  18. Essentials of recombinase-based genetic fate mapping in mice.

    Science.gov (United States)

    Jensen, Patricia; Dymecki, Susan M

    2014-01-01

    Fate maps, by defining the relationship between embryonic tissue organization and postnatal tissue structure, are one of the most important tools on hand to developmental biologists. In the past, generating such maps in mice was hindered by their in utero development limiting the physical access required for traditional methods involving tracer injection or cell transplantation. No longer is physical access a requirement. Innovations over the past decade have led to genetic techniques that offer means to "deliver" cell lineage tracers noninvasively. Such "genetic fate mapping" approaches employ transgenic strategies to express genetically encoded site-specific recombinases in a cell type-specific manner to switch on expression of a cell-heritable reporter transgene as lineage tracer. The behaviors and fate of marked cells and their progeny can then be explored and their contributions to different tissues examined. Here, we review the basic concepts of genetic fate mapping and consider the strengths and limitations for their application. We also explore two refinements of this approach that lend improved spatial and temporal resolution: (1) Intersectional and subtractive genetic fate mapping and (2) Genetic inducible fate mapping.

  19. 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.

  20. 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).

  1. 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.

  2. 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,

  3. Ocean-Based Alkalinity Enhancement: Mitigation Potential, Side Effects and the Fate of Added Alkalinity Assessed in an Earth System Model

    Science.gov (United States)

    Gonzalez, M. F.; Ilyina, T.

    2014-12-01

    Artificial ocean alkalinization (AOA) has been proposed as a mean to mitigate climate change and ocean acidification. Whilst the mitigation potential of this geo-engineering technology may sound promising, it poses environmental risks. Within the Priority Program "Climate Engineering" of the German Science Foundation (DFG), we investigate the mitigation potential of AOA to reduce atmospheric CO2 and counteract the consequences of ocean acidification. We are particularly interested in the residence time of the added alkalinity at the ocean surface because it must stay in the upper ocean in order to increase the oceanic CO2 uptake. The mitigation potential, risks and the unintended consequences of this geo-engineering method are also exhaustively studied. These questions are tackled through the analysis of different alkalinity enhancement scenarios in the state-of-the-art Earth system model of the Max Planck Institute for Meteorology (MPI-ESM) in a configuration based on the fifth phase of the Coupled Model Intercomparison Project (CMIP5). Model scenarios are designed so that AOA is performed to keep the atmospheric CO2 concentrations similar to values of the stabilization scenario RCP4.5, while fossil fuel CO2 emissions follow the pathway of the high-CO2 scenario RCP8.5. Alkalinity is added globally into the upper 12 meters of the ocean in different seasons and years. We found that on the time scale of relevance (i.e. from years to decades), season and location are key aspects to take into account in the implementation of AOA. This is because of inhomogeneous vertical mixing of added alkalinity due to the mixed layer depth which is established by the season. We also show that the rate of addition greatly determines impact and outcome of this geo-engineering method. Changes driven by the implementation of this method in the ocean biogeochemistry are also discussed. For instance, the associated changes in the carbon cycle, marine oxygen levels, saturation state of

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. 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...

  9. 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.

  10. 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.

  11. 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.…

  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. 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...

  14. 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

  15. 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.

  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. 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.

  18. 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).

  19. 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.

  20. 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

  1. 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

  2. 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

  3. 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).

  4. 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.

  5. The use and fate of pesticides in vegetable-based agroecosystems in Ghana

    NARCIS (Netherlands)

    Ntow, W.J.

    2008-01-01

    Use and Fate of Pesticides in Vegetable-based Agroecosystems in Ghana presents the results of a doctoral study conducted on pesticide use in vegetable production in Ghana, West Africa. It covers the various aspects of pesticide use, behavior, and impacts in vegetable-based agroecosystems and

  6. 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.

  7. 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...

  8. 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...

  9. 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.

  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. 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.

  12. 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, ...

  13. 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.

  14. 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...

  15. 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.

  16. 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.

  17. 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

  18. 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....

  19. 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.

  20. 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.

  1. 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.

  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. 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

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. 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...

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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...

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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

  1. 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 ...

  2. Synthesis, spectroscopic characterization and pH dependent photometric and electrochemical fate of Schiff bases.

    Science.gov (United States)

    Rauf, Abdur; Shah, Afzal; Abbas, Saghir; Rana, Usman Ali; Khan, Salah Ud-Din; Ali, Saqib; Zia-Ur-Rehman; Qureshi, Rumana; Kraatz, Heinz-Bernhard; Belanger-Gariepy, Francine

    2015-03-05

    A new Schiff base, 1-((4-bromophenylimino) methyl) naphthalen-2-ol (BPIMN) was successfully synthesized and characterized by (1)H NMR, (13)C NMR, FTIR and UV-Vis spectroscopy. The results were compared with a structurally related Schiff base, 1-((4-chlorophenylimino) methyl) naphthalen-2-ol (CPIMN). The photometric and electrochemical fate of BPIMN and CPIMN was investigated in a wide pH range. The experimental findings were supported by quantum mechanical approach. The redox mechanistic pathways were proposed on the basis of results obtained electrochemical techniques. Moreover, pH dependent UV-Vis spectroscopy of BPIMN and CPIMN was carried out and the appearance of isosbestic points indicated the existence of these compounds in different tautomeric forms.

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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

  17. 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...

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  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. 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.

  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 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. 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...

  17. 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

  18. 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.

  19. 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.

  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. 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

  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. 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.

  5. 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...

  6. Use of colony-based bacterial strain typing for tracking the fate of Lactobacillus strains during human consumption

    Directory of Open Access Journals (Sweden)

    Drevinek Pavel

    2009-12-01

    Full Text Available Abstract Background The Lactic Acid Bacteria (LAB are important components of the healthy gut flora and have been used extensively as probiotics. Understanding the cultivable diversity of LAB before and after probiotic administration, and being able to track the fate of administered probiotic isolates during feeding are important parameters to consider in the design of clinical trials to assess probiotic efficacy. Several methods may be used to identify bacteria at the strain level, however, PCR-based methods such as Random Amplified Polymorphic DNA (RAPD are particularly suited to rapid analysis. We examined the cultivable diversity of LAB in the human gut before and after feeding with two Lactobacillus strains, and also tracked the fate of these two administered strains using a RAPD technique. Results A RAPD typing scheme was developed to genetically type LAB isolates from a wide range of species, and optimised for direct application to bacterial colony growth. A high-throughput strategy for fingerprinting the cultivable diversity of human faeces was developed and used to determine: (i the initial cultivable LAB strain diversity in the human gut, and (ii the fate of two Lactobacillus strains (Lactobacillus salivarius NCIMB 30211 and Lactobacillus acidophilus NCIMB 30156 contained within a capsule that was administered in a small-scale human feeding study. The L. salivarius strain was not cultivated from the faeces of any of the 12 volunteers prior to capsule administration, but appeared post-feeding in four. Strains matching the L. acidophilus NCIMB 30156 feeding strain were found in the faeces of three volunteers prior to consumption; after taking the Lactobacillus capsule, 10 of the 12 volunteers were culture positive for this strain. The appearance of both Lactobacillus strains during capsule consumption was statistically significant (p Conclusion We have shown that genetic strain typing of the cultivable human gut microbiota can be

  7. 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.

  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. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. 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).

  16. 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

  17. 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...

  18. 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.

  19. 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 ...

  20. 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.

  1. 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.

  2. Fate and Transport of Nitrate in an Alpine Catchment Based on Dual-Isotopic and End-Member Mixing Analysis

    Science.gov (United States)

    Williams, M. W.; Liu, F.; Kendall, C.

    2003-12-01

    Attempts to understand nitrate loss from small watersheds have been the focus of much research. In general, these results have shown that understanding how sources and flowpaths of nitrate-rich waters change with time necessitates a combination of isotopic, chemical, and hydrometric data. New and evolving tools to understand the fate and transport of nitrate include dual-isotopic analysis of both the nitrogen and oxygen atoms in the nitrate molecule, and end-member mixing analysis (EMMA). However, to-date no one has combined these two approaches. Here we present results from both dual-isotope analysis and EMMA to understand the fate and transport of nitrate in the high-elevation Green Lakes watershed of the Colorado Front Range. Thirty-five samples were collected and analyzed for the dual isotopes of nitrate, and showed that values of δ 18O in atmospheric deposition had considerable overlap with values in stream waters. There was a strong counterclockwise pattern of hysteresis when δ 18O is plotted versus stream discharge, consistent with a mixture of atmospheric and microbial nitrate sources on the rising limb of the hydrograph, then mostly a microbial source on the recession limb of the hydrograph. A chemograph of nitrate sources developed using EMMA shows atmospheric deposition the predominant source at the initiation of snowmelt runoff, with soil water and talus becoming the dominant source at peak runoff, and talus-water and baseflow both important on the recession limb of the hydrograph. We were able to qualitatively evaluate the EMMA results by developing a 2-component nitrate source model using the dual-isotope values. The dual-isotope mixing model agreed well with the atmospheric and subsurface sources of nitrate identified using EMMA.

  3. Fate of Deepwater Horizon oil in Alabama's beach system: understanding physical evolution processes based on observational data.

    Science.gov (United States)

    Hayworth, Joel S; Prabakhar Clement, T; John, Gerald F; Yin, Fang

    2015-01-15

    The impact of MC252 oil on northern Gulf of Mexico (GOM) beaches from the 2010 Deepwater Horizon (DWH) catastrophe was extensive along Alabama's beaches. While considerable amount of cleanup has occurred along these beaches, as of August 2014, DWH oil spill residues continue to be found as surface residual balls (SRBs), and also occasionally as submerged oil mats (SOMs). Four years of field observations informing the fate and transport of DWH SRBs in Alabama's beach system are presented here, along with a conceptual framework for describing their physical evolution processes. The observation data show that SRBs containing MC252 residues currently remain in Alabama's beach system, although their relationship to SOMs is not fully known. Based on our field observations we conclude that small DWH SRBs are likely to persist for several years along the Alabama shoreline.

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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...

  9. 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

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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...

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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’.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Avoiding a fate worse than death: an argument for legalising voluntary physician-based euthanasia.

    Science.gov (United States)

    Werren, Julia; Yuksel, Necef; Smith, Saxon

    2012-09-01

    The legalisation of voluntary physician-based euthanasia is currently the subject of much political, social and ethical debate and there is evidence in Australia of growing support for its implementation. In addressing many of the issues that surround legalisation, the article looks at some overseas jurisdictions that have legalised euthanasia to determine whether the social, political and ethical concerns prominent in the Australian debate have proved problematic in other jurisdictions. In addition, the article examines the report on the Dying with Dignity Bill 2009 (Tas) which commented extensively on the issues relating to voluntary physician-based euthanasia.

  12. The fate of task-irrelevant visual motion: perceptual load versus feature-based attention.

    Science.gov (United States)

    Taya, Shuichiro; Adams, Wendy J; Graf, Erich W; Lavie, Nilli

    2009-11-18

    We tested contrasting predictions derived from perceptual load theory and from recent feature-based selection accounts. Observers viewed moving, colored stimuli and performed low or high load tasks associated with one stimulus feature, either color or motion. The resultant motion aftereffect (MAE) was used to evaluate attentional allocation. We found that task-irrelevant visual features received less attention than co-localized task-relevant features of the same objects. Moreover, when color and motion features were co-localized yet perceived to belong to two distinct surfaces, feature-based selection was further increased at the expense of object-based co-selection. Load theory predicts that the MAE for task-irrelevant motion would be reduced with a higher load color task. However, this was not seen for co-localized features; perceptual load only modulated the MAE for task-irrelevant motion when this was spatially separated from the attended color location. Our results suggest that perceptual load effects are mediated by spatial selection and do not generalize to the feature domain. Feature-based selection operates to suppress processing of task-irrelevant, co-localized features, irrespective of perceptual load.

  13. 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

  14. Stem Cell-Based Therapies for Ischemic Stroke: Preclinical Results and the Potential of Imaging-Assisted Evaluation of Donor Cell Fate and Mechanisms of Brain Regeneration.

    Science.gov (United States)

    Gervois, Pascal; Wolfs, Esther; Ratajczak, Jessica; Dillen, Yörg; Vangansewinkel, Tim; Hilkens, Petra; Bronckaers, Annelies; Lambrichts, Ivo; Struys, Tom

    2016-11-01

    Stroke is the second most common cause of death and is a major cause of permanent disability. Given the current demographic trend of an ageing population and associated increased risk, the prevalence of and socioeconomic burden caused by stroke will continue to rise. Current therapies are unable to sufficiently ameliorate the disease outcome and are not applicable to all patients. Therefore, strategies such as cell-based therapies with mesenchymal stem cell (MSC) or induced pluripotent stem cell (iPSC) pave the way for new treatment options for stroke. These cells showed great preclinical promise despite the fact that the precise mechanism of action and the optimal administration route are unknown. To gain dynamic insights into the underlying repair processes after stem cell engraftment, noninvasive imaging modalities were developed to provide detailed spatial and functional information on the donor cell fate and host microenvironment. This review will focus on MSCs and iPSCs as types of widely used stem cell sources in current (bio)medical research and compare their efficacy and potential to ameliorate the disease outcome in animal stroke models. In addition, novel noninvasive imaging strategies allowing temporospatial in vivo tracking of transplanted cells and coinciding evaluation of neuronal repair following stroke will be discussed. © 2016 Wiley Periodicals, Inc.

  15. 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.

  16. 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

  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. 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.

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. Modeling the fate of p,p'-DDT in water and sediment of two typical estuarine bays in South China: Importance of fishing vessels' inputs.

    Science.gov (United States)

    Fang, Shu-Ming; Zhang, Xianming; Bao, Lian-Jun; Zeng, Eddy Y

    2016-05-01

    Antifouling paint applied to fishing vessels is the primary source of dichloro-diphenyl-trichloroethane (DDT) to the coastal marine environments of China. With the aim to provide science-based support of potential regulations on DDT use in antifouling paint, we utilized a fugacity-based model to evaluate the fate and impact of p,p'-DDT, the dominant component of DDT mixture, in Daya Bay and Hailing Bay, two typical estuarine bays in South China. The emissions of p,p'-DDT from fishing vessels to the aquatic environments of Hailing Bay and Daya Bay were estimated as 9.3 and 7.7 kg yr(-1), respectively. Uncertainty analysis indicated that the temporal variability of p,p'-DDT was well described by the model if fishing vessels were considered as the only direct source, i.e., fishing vessels should be the dominant source of p,p'-DDT in coastal bay areas of China. Estimated hazard quotients indicated that sediment in Hailing Bay posed high risk to the aquatic system, and it would take at least 21 years to reduce the hazards to a safe level. Moreover, p,p'-DDT tends to migrate from water to sediment in the entire Hailing Bay and Daya Bay. On the other hand, our previous research indicated that p,p'-DDT was more likely to migrate from sediment to water in the maricultured zones located in shallow waters of these two bays, where fishing vessels frequently remain. These findings suggest that relocating mariculture zones to deeper waters would reduce the likelihood of farmed fish contamination by p,p'-DDT.

  8. Metabolic fate of poly-(lactic-co-glycolic acid-based curcumin nanoparticles following oral administration

    Directory of Open Access Journals (Sweden)

    Harigae T

    2016-06-01

    Full Text Available Takahiro Harigae,1 Kiyotaka Nakagawa,1 Taiki Miyazawa,2 Nao Inoue,3 Fumiko Kimura,1 Ikuo Ikeda,3 Teruo Miyazawa4,5 1Food and Biodynamic Chemistry Laboratory, Graduate School of Agricultural Science, Tohoku University, Sendai, Japan; 2Vascular Biology Laboratory, Jean Mayer USDA Human Nutrition Research Center on Aging, Tufts University, Boston, MA, USA; 3Laboratory of Food and Biomolecular Science, Graduate School of Agricultural Science, 4Food and Biotechnology Innovation Project, New Industry Creation Hatchery Center, 5Food and Health Science Research Unit, Graduate School of Agricultural Science, Tohoku University, Sendai, Japan Purpose: Curcumin (CUR, the main polyphenol in turmeric, is poorly absorbed and rapidly metabolized following oral administration, which severely curtails its bioavailability. Poly-(lactic-co-glycolic acid-based CUR nanoparticles (CUR-NP have recently been suggested to improve CUR bioavailability, but this has not been fully verified. Specifically, no data are available about curcumin glucuronide (CURG, the major metabolite of CUR found in the plasma following oral administration of CUR-NP. Herein, we investigated the absorption and metabolism of CUR-NP and evaluated whether CUR-NP improves CUR bioavailability.Methods: Following oral administration of CUR-NP in rats, we analyzed the plasma and organ distribution of CUR and its metabolites using high-performance liquid chromatography-tandem mass spectrometry. To elucidate the mechanism of increased intestinal absorption of CUR-NP, we prepared mixed micelles comprised of phosphatidylcholine and bile salts and examined the micellar solubility of CUR-NP. Additionally, we investigated the cellular incorporation of the resultant micelles into differentiated Caco-2 human intestinal cells.Results: Following in vivo administration of CUR-NP, CUR was effectively absorbed and present mainly as CURG in the plasma which contained significant amounts of the metabolite compared with

  9. 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.

  10. 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.

  11. Analysing the fate of nanopesticides in soil and the applicability of regulatory protocols using a polymer-based nanoformulation of atrazine.

    Science.gov (United States)

    Kah, Melanie; Machinski, Patrick; Koerner, Petra; Tiede, Karen; Grillo, Renato; Fraceto, Leonardo Fernandes; Hofmann, Thilo

    2014-10-01

    For the first time, regulatory protocols defined in the OECD guidelines were applied to determine the fate properties of a nanopesticide in two agricultural soils with contrasting characteristics. The nanoformulation studied had no effect on the degradation kinetics of atrazine indicating that (1) the release of atrazine from the polymer nanocarriers occurred rapidly relative to the degradation kinetics (half-lives 36-53 days) and/or that (2) atrazine associated with the nanocarriers was subject to biotic or abiotic degradation. Sorption coefficients, derived from a batch and a centrifugation technique at a realistic soil-to-solution ratio, were higher for the nanoformulated atrazine than for the pure active ingredient. Results indicate that the nanoformulation had an effect on the fate of atrazine. However, since the protocols applied were designed to assess solutes, conclusions about the transport of atrazine loaded onto the nanocarriers should be made extremely cautiously. The centrifugation method applied over time (here over 7 days) appears to be a useful tool to indirectly assess the durability of nanopesticides under realistic soil-to-solution ratios and estimate the period of time during which an influence on the fate of the active ingredient may be expected. More detailed investigations into the bioavailability and durability of nanopesticides are necessary and will require the development of novel methods suitable to address both the "nano" and "organic" characteristics of polymer-based nanopesticides.

  12. 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

  13. 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.

  14. Expression kinetics of hepatic progenitor markers in cellular models of human liver development recapitulating hepatocyte and biliary cell fate commitment.

    Science.gov (United States)

    Chaudhari, Pooja; Tian, Lipeng; Deshmukh, Abhijeet; Jang, Yoon-Young

    2016-09-01

    Due to the limitations of research using human embryos and the lack of a biological model of human liver development, the roles of the various markers associated with liver stem or progenitor cell potential in humans are largely speculative, and based on studies utilizing animal models and certain patient tissues. Human pluripotent stem cell-based in vitro multistage hepatic differentiation systems may serve as good surrogate models for mimicking normal human liver development, pathogenesis and injury/regeneration studies. Here, we describe the implications of various liver stem or progenitor cell markers and their bipotency (i.e. hepatocytic- and biliary-epithelial cell differentiation), based on the pluripotent stem cell-derived model of human liver development. Future studies using the human cellular model(s) of liver and biliary development will provide more human relevant biological and/or pathological roles of distinct markers expressed in heterogeneous liver stem/progenitor cell populations.

  15. Identification of TCE and PCE sorption and biodegradation parameters in a sandy aquifer for fate and transport modelling: batch and column studies.

    Science.gov (United States)

    Kret, E; Kiecak, A; Malina, G; Nijenhuis, I; Postawa, A

    2015-07-01

    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 representative profile of the contaminated site (south-east Poland). The sorption isotherms were approximately linear (TCE, soil 1, K d = 0.0016; PCE, soil 1, K d = 0.0051; PCE, soil 2, K d = 0.0069) except for one case in which the best fitting was for the Langmuir isotherm (TCE, soil 2, K f = 0.6493 and S max = 0.0145). The results indicate low retardation coefficients (R) of TCE and PCE; however, somewhat lower values were obtained in batch compared to column experiments. In the column experiments with the presence of both contaminants, TCE influenced sorption of PCE, so that the R values for both compounds were almost two times higher. Non-significant differences in isotope compositions of TCE and PCE measured in the observation points (δ(13)C values within the range of -23.6 ÷ -24.3‰ and -26.3 ÷-27.7‰, respectively) indicate that biodegradation apparently is not an important process contributing to the natural attenuation of these contaminants in the studied sandy aquifer.

  16. Predicting the fate of methane emanating from the seafloor using a marine two-phase gas model in one dimension (M2PG1) - Example from a known Arctic methane seep site offshore Svalbard

    Science.gov (United States)

    Jansson, Pär; Ferré, Benedicte

    2017-04-01

    Transport of methane in seawater occurs by diffusion and advection in the dissolved phase, and/or as free gas in form of bubbles. The fate of methane in bubbles emitted from the seafloor depends on both bubble size and ambient conditions. Larger bubbles can transport methane higher into the water column, potentially reaching the atmosphere and contributing to greenhouse gas concentrations and impacts. Single bubble or plume models have been used to predict the fate of bubble mediated methane gas emissions. Here, we present a new process based two-phase (free and dissolved) gas model in one dimension, which has the capability to dynamically couple water column properties such as temperature, salinity and dissolved gases with the free gas species contained in bubbles. The marine two-phase gas model in one dimension (M2PG1) uses a spectrum of bubbles and an Eulerian formulation, discretized on a finite-volume grid. It employs the most up-to-date equations for solubility and compressibility of the included gases, nitrogen, oxygen, carbon dioxide and methane. M2PG1 is an extension of PROBE (Omstedt, 2011), which facilitates atmospheric coupling and turbulence closures to realistically predict vertical mixing of all properties, including dissolved methane. This work presents the model's first application in an Arctic Ocean environment at the landward limit of the methane-hydrate stability zone west of Svalbard, where we observe substantial methane bubble release over longer time periods. The research is part of the Centre for Arctic Gas Hydrate, Environment and Climate (CAGE) and is supported by the Research Council of Norway through its Centres of Excellence funding scheme grant No. 223259 and UiT. Omstedt, A. (2011). Guide to process based modeling of lakes and coastal seas: Springer.

  17. Characterization and simulation of fate and transport of selected volatile organic compounds in the vicinities of the Hadnot Point Industrial Area and landfill: Chapter A Supplement 6 in Analyses and historical reconstruction of groundwater flow, contaminant fate and transport, and distribution of drinking water within the service areas of the Hadnot Point and Holcomb Boulevard Water Treatment Plants and vicinities, U.S. Marine Corps Base Camp Lejeune, North Carolina

    Science.gov (United States)

    Jones, L. Elliott; Suárez-Soto, René J.; Anderson, Barbara A.; Maslia, Morris L.

    2013-01-01

    This supplement of Chapter A (Supplement 6) describes the reconstruction (i.e. simulation) of historical concentrations of tetrachloroethylene (PCE), trichloroethylene (TCE), and benzene3 in production wells supplying water to the Hadnot Base (USMCB) Camp Lejeune, North Carolina (Figure S6.1). A fate and transport model (i.e., MT3DMS [Zheng and Wang 1999]) was used to simulate contaminant migration from source locations through the groundwater system and to estimate mean contaminant concentrations in water withdrawn from water-supply wells in the vicinity of the Hadnot Point Industrial Area (HPIA) and the Hadnot Point landfill (HPLF) area.4 The reconstructed contaminant concentrations were subsequently input into a flow-weighted, materials mass balance (mixing) model (Masters 1998) to estimate monthly mean concentrations of the contaminant in finished water 5 at the HPWTP (Maslia et al. 2013). The calibrated fate and transport models described herein were based on and used groundwater velocities derived from groundwater-flow models that are described in Suárez-Soto et al. (2013). Information data pertinent to historical operations of water-supply wells are described in Sautner et al. (2013) and Telci et al. (2013).

  18. 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.

  19. 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.

  20. Model-based geostatistics

    CERN Document Server

    Diggle, Peter J

    2007-01-01

    Model-based geostatistics refers to the application of general statistical principles of modeling and inference to geostatistical problems. This volume provides a treatment of model-based geostatistics and emphasizes on statistical methods and applications. It also features analyses of datasets from a range of scientific contexts.

  1. Vacuolar H+-translocating inorganic pyrophosphatase (Vpp1) marks partial aleurone cell fate in cereal endosperm development.

    Science.gov (United States)

    Wisniewski, Jean-Pierre; Rogowsky, Peter M

    2004-10-01

    Cereal endosperm is a model system for cell fate determination in plants. In wild-type plants the outermost endosperm cells adopt aleurone cell fate, while all underlying cells display starchy endosperm cell fate. Mutant analysis showed that cell fate is determined by position rather than lineage. To further characterise the precise cell fate of the outermost cells, we performed a differential screen and isolated the novel marker gene Vpp1 . It encodes a vacuolar H+-translocating inorganic pyrophosphatase (V-PPase) and is mainly expressed in kernels, leaves and tassels. In kernels, its expression is restricted to the aleurone layer with the maximum of expression shifting from the adaxial to the abaxial side during early stages. Together with three other marker genes Vpp1 was then used to analyse the cell fate of the outermost cells in Dap3 , Dap7 , cr4 and dek1 mutants, all of which have aberrant aleurone layers. In the Dap3 and Dap7 mutants the Vpp1 and Ltp2 markers but not the A1 and Zein markers were expressed in patches without aleurone indicating that the outermost cells had some but not all features of aleurone cells and did not simply adopt starchy endosperm cell fate. A similar result was obtained in the cr4 mutant, although Ltp2 expression was less generalised. In other Dap7 patches characterised by multiple aleurone-like cell layers the expression of Vpp1 and Ltp2 confirmed the aleurone cell fate of the cells in the additional cell layers. The analysis of dek1 mutants confirmed the starchy endosperm cell fate of the majority but not all outermost cells. Based on these data we propose a model suggesting a stepwise commitment to aleurone cell fate. Sequential steps are marked by the expression of Vpp1 , the expression of Ltp2 , the acquisition of a regular shape and thick walls and finally pigmentation coupled with A1 expression.

  2. 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.

  3. 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.

  4. One decade of research into the fate and transport of carbon-based nanomaterials - Lessons learnt and future perspectives

    Science.gov (United States)

    Hüffer, Thorsten; Hofmann, Thilo

    2016-04-01

    Carbon-based nanomaterials (CNM) exhibit unique physico-chemical properties (e.g., large surface area to volume ratios, electron delocalization), which make them promising for a great number of applications. The production, use, and disposal of CNM and CNM-containing products will inevitably result in the release of these materials into the environment. The fate and transport of CNM greatly depends on their physico-chemical properties and surrounding environmental conditions. This field of research has constantly increased over recent years. Yet little is known on how transformation processes such as changes in surface properties or aggregation influence their interaction with other environmental species (i.e., solid surfaces or contaminants). For example, changes in redox chemistry in combination with irradiation have shown to significantly alter the surface chemistry of C60 fullerenes and consequently decreased their sorption affinity towards non-polar organic contaminants [1]. The presence of natural organic matter (NOM) seems to play a major role on the aggregation of CNM; however, the results are not consistent whether this leads to an increase or decrease in interactions with solid surfaces or contaminants. Either increased interactions resulting from a higher dispersion of CNM or decreased interactions of CNM, which was assigned to an offset of "creating" new sorption sites due to increased dispersion by a reduced accessibility of polar moieties. For the latter effect, NOM was proposed to either directly compete for sorption sites on CNM surface or a blocking of CNM pores by large NOM molecules [2]. The potential consequences of these changes in surface properties of CNM on their toxic effects on microorganisms have only been partially examined. For an environmental risk assessment, data on the occurrence of CNM is obligatory but to date the environmental concentrations of CNM are still difficult to assess due to still unsolved analytical issues in matrix

  5. 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....

  6. 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

  7. Quantitative study on the fate of residual soil nitrate in winter wheat based on a 15N-labeling method

    Science.gov (United States)

    Zhang, Jing-Ting; Wang, Zhi-Min; Liang, Shuang-Bo; Zhang, Ying-Hua; Lu, Lai-Qing; Wang, Run-Zheng

    2017-01-01

    A considerable amount of surplus nitrogen (N), which primarily takes the form of nitrate, accumulates in the soil profile after harvesting crops from an intensive production system in the North China Plain. The residual soil nitrate (RSN) is a key factor that is included in the N recommendation algorithm. Quantifying the utilization and losses of RSN is a fundamental necessity for optimizing crop N management, improving N use efficiency, and reducing the impact derived from farmland N losses on the environment. In this study, a 15N-labeling method was introduced to study the fate of the RSN quantitatively during the winter wheat growing season by 15N tracer technique combined with a soil column study. A soil column with a 2 m height was vertically divided into 10 20-cm layers, and the RSN in each layer was individually labeled with a 15N tracer before the wheat was sown. The results indicated that approximately 17.68% of the crop N derived from RSN was located in the 0–2 m soil profile prior to wheat sowing. The wheat recovery proportions of RSN at various layers ranged from 0.21% to 33.46%. The percentages that still remained in the soil profile after the wheat harvest ranged from 47.08% to 75.44%, and 19.46–32.64% of the RSN was unaccounted for. Upward and downward movements in the RSN were observed, and the maximum upward and downward distances were 40 cm and 100 cm, respectively. In general, the 15N-labeling method contributes to a deeper understanding of the fates of the RSN. Considering the low crop recovery of the RSN from deep soil layers, water and N saving practices should be adopted during crop production. PMID:28170440

  8. Single Root Model for the Impact of Root Exudates on the Fate of Phosphorus in the Rhizosphere

    Science.gov (United States)

    Klepsch, S.; Leitner, D.; Schnepf, A.

    2012-04-01

    Mathematical models are invaluable for the design of rhizotechnologies that help to improve nutrient and water efficiency. In our work, we present a mechanistic one dimensional model accounting for the complex plant-induced chemical processes in soil on single root scale. The equations are based on conservation of mass and the law of mass action and consider interactions between phosphorus, exudates, diverse complexes, including equilibrium and kinetic sorption, transformation, degradation, and decay processes, as well as dispersion in soil. For the numerical solutions, the software packages COMSOL Multiphysics 3.5A and Matlab 7 are used. Sensitivity analysis of the highly parameterised model, accomplished by coupling to the software PEST, provides information on the factors that mostly contribute to the model output variability. On the other hand, it helps to reduce the complexity of the underlying model. We show simulation studies regarding ad- and desorption of phosphorus and citrate that compete for sorption sites, modeled by a Langmuir-type isotherm. We additionally compare phosphorus root uptake for concentration- and time-dependent exudation patterns versus constant exudation. This model will build the basis for three dimensional root-scale simulations of phosphorus uptake (Leitner et al. 2010). Comparison of the parameter sensitivities on both scales should enable to figure out processes that are leveled out or even have more impact on phosphorus efficiency on the higher root system scale. Leitner D, Klepsch S, Bodner G, Schnepf A (2010a) A dynamic root system growth model based on L-systems. Plant and Soil 332:177-192.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. Web Based VRML Modelling

    NARCIS (Netherlands)

    Kiss, S.

    2001-01-01

    Presents a method to connect VRML (Virtual Reality Modeling Language) and Java components in a Web page using EAI (External Authoring Interface), which makes it possible to interactively generate and edit VRML meshes. The meshes used are based on regular grids, to provide an interaction and modeling

  16. 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...

  17. 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

  18. 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.

  19. 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

  20. 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 negative impacts are likely to appear. Furthermore, observation in laboratory assays suggested that the effects on individuals may lead to population and ecological impacts. Conceptual models, such as exist for oil transport modeling and ecological modeling, need to be established in this field also. Such models would be highly useful for conducting natural resource damage assessments after an oil spill in the Arctic. They would also help with making marine spatial plans in the context of changing oceanographic and climatic conditions.

  1. Subsurface Uranium Fate and Transport: Integrated Experiments and Modeling of Coupled Biogeochemical Mechanisms of Nanocrystalline Uraninite Oxidation by Fe(III)-(hydr)oxides - Project Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Peyton, Brent M. [Montana State Univ., Bozeman, MT (United States); Timothy, Ginn R. [Univ. of California, Davis, CA (United States); Sani, Rajesh K. [South Dakota School of Mines and Technology, Rapid City, SD (United States)

    2013-08-14

    citrate. To complement to these laboratory studies, we collected U-bearing samples from a surface seep at the Rifle field site and have measured elevated U concentrations in oxic iron-rich sediments. To translate experimental results into numerical analysis of U fate and transport, a reaction network was developed based on Sani et al. (2004) to simulate U(VI) bioreduction with concomitant UO2 reoxidation in the presence of hematite or ferrihydrite. The reduction phase considers SRB reduction (using lactate) with the reductive dissolution of Fe(III) solids, which is set to be microbially mediated as well as abiotically driven by sulfide. Model results show the oxidation of HS– by Fe(III) directly competes with UO2 reoxidation as Fe(III) oxidizes HS– preferentially over UO2. The majority of Fe reduction is predicted to be abiotic, with ferrihydrite becoming fully consumed by reaction with sulfide. Predicted total dissolved carbonate concentrations from the degradation of lactate are elevated (log(pCO2) ~ –1) and, in the hematite system, yield close to two orders-of-magnitude higher U(VI) concentrations than under initial carbonate concentrations of 3 mM. Modeling of U(VI) bioreduction with concomitant reoxidation of UO2 in the presence of ferrihydrite was also extended to a two-dimensional field-scale groundwater flow and biogeochemically reactive transport model for the South Oyster site in eastern Virginia. This model was developed to simulate the field-scale immobilization and subsequent reoxidation of U by a biologically mediated reaction network.

  2. Comparison of Atmospheric Travel Distances of Several PAHs Calculated by Two Fate and Transport Models (The Tool and ELPOS with Experimental Values Derived from a Peat Bog Transect

    Directory of Open Access Journals (Sweden)

    Sabine Thuens

    2014-05-01

    Full Text Available Multimedia fate and transport models are used to evaluate the long range transport potential (LRTP of organic pollutants, often by calculating their characteristic travel distance (CTD. We calculated the CTD of several polycyclic aromatic hydrocarbons (PAHs and metals using two models: the OECD POV& LRTP Screening Tool (The Tool, and ELPOS. The absolute CTDs of PAHs estimated with the two models agree reasonably well for predominantly particle-bound congeners, while discrepancies are observed for more volatile congeners. We test the performance of the models by comparing the relative ranking of CTDs with the one of experimentally determined travel distances (ETDs. ETDs were estimated from historical deposition rates of pollutants to peat bogs in Eastern Canada. CTDs and ETDs of PAHs indicate a low LRTP. To eliminate the high influence on specific model assumptions and to emphasize the difference between the travel distances of single PAHs, ETDs and CTDs were analyzed relative to the travel distances of particle-bound compounds. The ETDs determined for PAHs, Cu, and Zn ranged from 173 to 321 km with relative uncertainties between 26% and 46%. The ETDs of two metals were shorter than those of the PAHs. For particle-bound PAHs the relative ETDs and CTDs were similar, while they differed for Chrysene.

  3. 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

  4. Homology of the cranial vault in birds: new insights based on embryonic fate-mapping and character analysis

    Science.gov (United States)

    Maddin, Hillary C.; Piekarski, Nadine; Sefton, Elizabeth M.; Hanken, James

    2016-08-01

    Bones of the cranial vault appear to be highly conserved among tetrapod vertebrates. Moreover, bones identified with the same name are assumed to be evolutionarily homologous. However, recent developmental studies reveal a key difference in the embryonic origin of cranial vault bones between representatives of two amniote lineages, mammals and birds, thereby challenging this view. In the mouse, the frontal is derived from cranial neural crest (CNC) but the parietal is derived from mesoderm, placing the CNC-mesoderm boundary at the suture between these bones. In the chicken, this boundary is located within the frontal. This difference and related data have led several recent authors to suggest that bones of the avian cranial vault are misidentified and should be renamed. To elucidate this apparent conflict, we fate-mapped CNC and mesoderm in axolotl to reveal the contributions of these two embryonic cell populations to the cranial vault in a urodele amphibian. The CNC-mesoderm boundary in axolotl is located between the frontal and parietal bones, as in the mouse but unlike the chicken. If, however, the avian frontal is regarded instead as a fused frontal and parietal (i.e. frontoparietal) and the parietal as a postparietal, then the cranial vault of birds becomes developmentally and topologically congruent with those of urodeles and mammals. This alternative hypothesis of cranial vault homology is also phylogenetically consistent with data from the tetrapod fossil record, where frontal, parietal and postparietal bones are present in stem lineages of all extant taxa, including birds. It further implies that a postparietal may be present in most non-avian archosaurs, but fused to the parietal or supraoccipital as in many extant mammals.

  5. Application of a level IV fugacity model to simulate the long-term fate of hexachlorocyclohexane isomers in the lower reach of Yellow River basin, China.

    Science.gov (United States)

    Ao, Jiangting; Chen, Jingwen; Tian, Fulin; Cai, Xiyun

    2009-01-01

    A level IV multimedia fugacity model was established to simulate the fate and transfer of hexachlorocyclohexane (HCH) isomers in the lower reach of the Yellow River basin, China, during 1952-2010. The predicted concentrations of HCHs are in good agreement with the observed ones, as indicated by the residual errors being generally lower than 0.5 logarithmic units. The effects of extensive agricultural application and subsequent prohibition of HCHs are reflected by the temporal variation of HCHs predicted by the model. It is predicted that only 1.8 tons of HCHs will be left in 2010, less than 0.06% of the highest contents (in 1983) in the study area, and about 99% of HCHs remain in soil. The proportions of HCH isomers in the environment also changed with time due to their different physicochemical properties. Although beta-HCH is not the main component of the technical HCHs, it has become the most abundant isomer in the environment because of its persistence. The dominant transfer processes between the adjacent compartments were deposition from air to soil, air diffusion through the air-water interface and runoff from soil to water. Sensitivity analysis showed that degradation rate in soil, parameters related to major sources, and thickness of soils had the strongest influence on the model result. Results of Monte Carlo simulation indicated the overall uncertainty of model predictions, and the coefficients of variation of the estimated concentrations of HCHs in all the compartments ranged from 0.5 to 5.8.

  6. Migration and fate of ethanol-enhanced gasoline in groundwater: a modelling analysis of a field experiment.

    Science.gov (United States)

    Freitas, Juliana G; Mocanu, Marian T; Zoby, José Luiz G; Molson, John W; Barker, James F

    2011-01-25

    Ethanol use as a gasoline additive is increasing, as are the chances of groundwater contamination caused by gasoline releases involving ethanol. To evaluate the impact of ethanol on dissolved hydrocarbon plumes, a field test was performed in which three gasoline residual sources with different ethanol fractions (E0: no ethanol, E10: 10% ethanol and E95: 95% ethanol) were emplaced below the water table. Using the numerical model BIONAPL/3D, the mass discharge rates of benzene, toluene, ethylbenzene, xylenes, trimethylbenzenes and naphthalene were simulated and results compared to those obtained from sampling transects of multilevel samplers. It was shown that ethanol dissolved rapidly and migrated downgradient as a short slug. Mass discharge of the hydrocarbons from the E0 and E10 sources suggested similar first-order hydrocarbon decay rates, indicating that ethanol from E10 had no impact on hydrocarbon degradation. In contrast, the estimated hydrocarbon decay rates were significantly lower when the source was E95. For the E0 and E10 cases, the aquifer did not have enough oxygen to support complete mineralization of the hydrocarbon compounds to the extent suggested by the field-based mass discharge. Introducing a heterogeneous distribution of hydraulic conductivity did little to overcome this discrepancy. A better match between the numerical model and the field data was obtained assuming partial degradation of the hydrocarbons to intermediate compounds. Besides depending on the ethanol concentration, the impact of ethanol on hydrocarbon degradation appears to be highly dependent on the availability of electron acceptors.

  7. 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.

  8. Ecotoxicity Effect Indicator for use in the OMNIITOX Base Model

    DEFF Research Database (Denmark)

    Larsen, Henrik Fred; Payet, Jerome; Molander, S

    2004-01-01

    The ecotoxicity effect indicator (EFI) is used together with the input results from the fate modelling when calculating characterisation factors for ecotoxicity within life-cycle impact assessment (LCIA). A number of methods have been proposed and used in recent years involving different approaches...... focusing on their statistical robustness. Considerations about the possibility to relate the effect indicator to damage on the endpoint, the ecosystem, are also included. The effect-based approaches are tested for their robustness in estimating an HC50 in a practical test on datasets from eleven different...

  9. Constraining the Pluripotent Fate of Human Embryonic Stem Cells for Tissue Engineering and Cell Therapy - The Turning Point of Cell-Based Regenerative Medicine.

    Science.gov (United States)

    Parsons, Xuejun H

    2013-10-01

    To date, the lack of a clinically-suitable source of engraftable human stem/progenitor cells with adequate neurogenic potential has been the major setback in developing safe and effective cell-based therapies for regenerating the damaged or lost CNS structure and circuitry in a wide range of neurological disorders. Similarly, the lack of a clinically-suitable human cardiomyocyte source with adequate myocardium regenerative potential has been the major setback in regenerating the damaged human heart. Given the limited capacity of the CNS and heart for self-repair, there is a large unmet healthcare need to develop stem cell therapies to provide optimal regeneration and reconstruction treatment options to restore normal tissues and function. Derivation of human embryonic stem cells (hESCs) provides a powerful in vitro model system to investigate molecular controls in human embryogenesis as well as an unlimited source to generate the diversity of human somatic cell types for regenerative medicine. However, realizing the developmental and therapeutic potential of hESC derivatives has been hindered by the inefficiency and instability of generating clinically-relevant functional cells from pluripotent cells through conventional uncontrollable and incomplete multi-lineage differentiation. Recent advances and breakthroughs in hESC research have overcome some major obstacles in bringing hESC therapy derivatives towards clinical applications, including establishing defined culture systems for de novo derivation and maintenance of clinical-grade pluripotent hESCs and lineage-specific differentiation of pluripotent hESCs by small molecule induction. Retinoic acid was identified as sufficient to induce the specification of neuroectoderm direct from the pluripotent state of hESCs and trigger a cascade of neuronal lineage-specific progression to human neuronal progenitors and neurons of the developing CNS in high efficiency, purity, and neuronal lineage specificity by promoting

  10. FY08 LDRD Final Report Stem Cell Fate Decisions

    Energy Technology Data Exchange (ETDEWEB)

    Hiddessen, A

    2009-03-02

    A detailed understanding of the biological control of fate decisions of stem and progenitor cells is needed to harness their full power for tissue repair and/or regeneration. Currently, internal and external factors that regulate stem cell fate are not fully understood. We aim to engineer biocompatible tools to facilitate the measurement and comparison of the roles and significance of immobilized factors such as extracellular matrix and signaling peptides, synergistic and opposing soluble factors and signals, and cell-to-cell communication, in stem cell fate decisions. Our approach is based on the development of cell microarrays to capture viable stem/progenitor cells individually or in small clusters onto substrate-bound signals (e.g. proteins), combined with conventional antibody and customized subcellular markers made in-house, to facilitate tracking of cell behavior during exposure to relevant signals. Below we describe our efforts, including methods to manipulate a model epithelial stem cell system using a custom subcellular reporter to track and measure cell signaling, arrays with surface chemistry that support viable cells and enable controlled presentation of immobilized signals to cells on the array and fluorescence-based measurement of cell response, and successful on-array tests via conventional immunofluorescence assays that indicate correct cell polarity, localization of junctional proteins, and phenotype, properties which are essential to measuring true cell responses.

  11. 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.

  12. An in vitro model for the assessment of stem cell fate following implantation within the infarct microenvironment identifies ISL-1 expression as the strongest predictor of c-Kit(+) cardiac progenitor cells' therapeutic potential.

    Science.gov (United States)

    Sullivan, Kelly E; Burns, Laura J; Black, Lauren D

    2015-11-01

    Cell therapy has the potential to drastically improve clinical outcomes for the 1.45 million patients suffering from a myocardial infarction (MI) each year in the U.S. However, the limitations associated with this treatment - including poor engraftment, significant cell death and poor differentiation potential - have prevented its widespread application clinically. To optimize functional improvements provided by transplanted cells, there is a need to develop methods that increase cellular retention and viability, while supporting differentiation and promoting paracrine signaling. Current in vivo models are expensive, difficult to access and manipulate and are time consuming. We have developed an in vitro model of MI which allows for a straightforward, consistent and relatively accurate prediction of cell fate following injection in vivo. The model demonstrated how the infarct environment impairs cellular engraftment and differentiation, but identified an implantation strategy which enhanced cell fate in vitro. Multivariate linear regression identified variables within the model that regulated vascular differentiation potential including oxygen tension, stiffness and cytokine presence, while cardiac differentiation was more accurately predicted by Isl-1 expression in the original cell isolate than any other variable present within the model system. The model highlighted how the cells' sensitivity to the infarct variables varied from line to line, which emphasizes the importance of the model system for the prediction of cell fate on a patient specific basis. Further development of this model system could help predict the clinical efficacy of cardiac progenitor cell therapy at the patient level as well as identify the optimal strategy for cell delivery.

  13. Cell fate determination in the Caenorhabditis elegans epidermal lineages

    NARCIS (Netherlands)

    Soete, G.A.J.

    2007-01-01

    The starting point for this work was to use the hypodermal seam of C. elegans as a model system to study cell fate determination. Even though the seam is a relatively simple developmental system, the mechanisms that control cell fate determination in the seam lineages are connected in a highly compl

  14. Cell fate determination in the Caenorhabditis elegans epidermal lineages

    NARCIS (Netherlands)

    Soete, G.A.J.

    2007-01-01

    The starting point for this work was to use the hypodermal seam of C. elegans as a model system to study cell fate determination. Even though the seam is a relatively simple developmental system, the mechanisms that control cell fate determination in the seam lineages are connected in a highly compl

  15. 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

  16. On the Formation of Tess’ Tragic Fate

    Institute of Scientific and Technical Information of China (English)

    张颖

    2014-01-01

    "Tess of the d’Urbervilles"is one of the most important books of Thomas Hardy.The heroine Tess is the most outstanding female image created by Hardy and also an idealized artistic model.Her fate moves the readers deeply and represents the beauty of the book.By analysing the special social conditions,we can see the typicalness and the inevitability of Tess’tragic fate.Tess naturally becomes the typical victim of the cruel social reality.Hardy’s realistic thought about the society and his progressive ideas to which oughts to be paid attention by us embodies in the novel.

  17. Model Based Definition

    Science.gov (United States)

    Rowe, Sidney E.

    2010-01-01

    In September 2007, the Engineering Directorate at the Marshall Space Flight Center (MSFC) created the Design System Focus Team (DSFT). MSFC was responsible for the in-house design and development of the Ares 1 Upper Stage and the Engineering Directorate was preparing to deploy a new electronic Configuration Management and Data Management System with the Design Data Management System (DDMS) based upon a Commercial Off The Shelf (COTS) Product Data Management (PDM) System. The DSFT was to establish standardized CAD practices and a new data life cycle for design data. Of special interest here, the design teams were to implement Model Based Definition (MBD) in support of the Upper Stage manufacturing contract. It is noted that this MBD does use partially dimensioned drawings for auxiliary information to the model. The design data lifecycle implemented several new release states to be used prior to formal release that allowed the models to move through a flow of progressive maturity. The DSFT identified some 17 Lessons Learned as outcomes of the standards development, pathfinder deployments and initial application to the Upper Stage design completion. Some of the high value examples are reviewed.

  18. Uncertainty in the fate of soil organic carbon: A comparison of three conceptually different soil decomposition models

    Science.gov (United States)

    He, Yujie; Yang, Jinyan; Zhuang, Qianlai; McGuire, Anthony; Zhu, Qing; Liu, Yaling; Teskey, Robert O.

    2014-01-01

    Conventional Q10 soil organic matter decomposition models and more complex microbial models are available for making projections of future soil carbon dynamics. However, it is unclear (1) how well the conceptually different approaches can simulate observed decomposition and (2) to what extent the trajectories of long-term simulations differ when using the different approaches. In this study, we compared three structurally different soil carbon (C) decomposition models (one Q10 and two microbial models of different complexity), each with a one- and two-horizon version. The models were calibrated and validated using 4 years of measurements of heterotrophic soil CO2 efflux from trenched plots in a Dahurian larch (Larix gmelinii Rupr.) plantation. All models reproduced the observed heterotrophic component of soil CO2 efflux, but the trajectories of soil carbon dynamics differed substantially in 100 year simulations with and without warming and increased litterfall input, with microbial models that produced better agreement with observed changes in soil organic C in long-term warming experiments. Our results also suggest that both constant and varying carbon use efficiency are plausible when modeling future decomposition dynamics and that the use of a short-term (e.g., a few years) period of measurement is insufficient to adequately constrain model parameters that represent long-term responses of microbial thermal adaption. These results highlight the need to reframe the representation of decomposition models and to constrain parameters with long-term observations and multiple data streams. We urge caution in interpreting future soil carbon responses derived from existing decomposition models because both conceptual and parameter uncertainties are substantial.

  19. Effect of linear alkyl benzene sulfonates (LAS) on the fate of phenanthrene in a model ecosystem (water-lava-plant-air)

    Institute of Scientific and Technical Information of China (English)

    JIANG Xia; JIN Xiang-can; YAN Chang-zhou; Ayfer Yediler; OU Zi-qing; Antonius Kettrup

    2004-01-01

    Advanced closed chamber system was used to study the fate of phenanthrene (3-rings PAHs) in the presence of linear alkylbenzene sulphonates(LAS). The results showed mineralization and metabolism of phenanthrene are fast in the "culture solution - lava - plant - air" model ecological system. The distribution proportions of applied 14C-activity in this simulative ecological system were 41%-45%, 14% to 10% and 1% in plant, lava and culture solution respectively, and 18% to 29%, 11% to 8% recovered in the forms of VOCs and CO2. Main parts of the applied 14C-activity exist in two forms, one is polar metabolites(25%) which mainly distribute in the root(23%), the other is unextractable part(23%) which have been constructed into plant root(8.98%), shoot(0.53%) or bonded to lava(13.2%). The main metabolites of phenanthrene were polar compounds(25% of applied 14C-activity), and small portion of 14C-activity was identified as non-polar metabolites(6% of applied 14C-activity) and apparent phenanthrene(1.91% of applied 14C-activity). Phenanthrene and its metabolites can be taken up through plant roots and translocated to plant shoots. The presence of LAS significantly increased the the concentration of 14C-activity in the plant and production of 200 mg/L

  20. Long-Term Impacts of Bacteria-Sediment Interactions in Watershed-Scale Microbial Fate and Transport Modeling.

    Science.gov (United States)

    Liao, Hehuan; Krometis, Leigh-Anne H; Kline, Karen; Hession, W C

    2015-09-01

    Elevated levels of fecal indicator bacteria (FIB) remain the leading cause of surface water-quality impairments in the United States. Under the Clean Water Act, basin-specific total maximum daily load (TMDL) restoration plans are responsible for bringing identified water impairments in compliance with applicable standards. Watershed-scale model predictions of FIB concentrations that facilitate the development of TMDLs are associated with considerable uncertainty. An increasingly cited criticism of existing modeling practice is the common strategy that assumes bacteria behave similarly to "free-phase" contaminants, although many field evidence indicates a nontrivial number of cells preferentially associate with particulates. Few attempts have been made to evaluate the impacts of sediment on the predictions of in-stream FIB concentrations at the watershed scale, with limited observational data available for model development, calibration, and validation. This study evaluates the impacts of bacteria-sediment interactions in a continuous, watershed-scale model widely used in TMDL development. In addition to observed FIB concentrations in the water column, streambed sediment-associated FIB concentrations were available for model calibration. While improved model performance was achieved compared with previous studies, model performance under a "sediment-attached" scenario was essentially equivalent to the simpler "free-phase" scenario. Watershed-specific characteristics (e.g., steep slope, high imperviousness) likely contributed to the dominance of wet-weather pollutant loading in the water column, which may have obscured sediment impacts. As adding a module accounting for bacteria-sediment interactions would increase the model complexity considerably, site evaluation preceding modeling efforts is needed to determine whether the additional model complexity and effort associated with partitioning phases of FIB is sufficiently offset by gains in predictive capacity.

  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. 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

  3. 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...

  4. Modelling the influence of intermittent rain events on long-term fate and transport of organic air pollutants

    DEFF Research Database (Denmark)

    Jolliet, Olivier; Hauschild, Michael Zwicky

    2005-01-01

    through wet deposition, and an underestimation of travel distances, leading to the following questions: How strong is the influence of the intermittent character of rain on concentrations, residence times, deposited fractions and characteristic transport distances of different substances in air......The deposition of particles and substances in air is under strong influence of the precipitation patterns of the atmosphere. Most multimedia models, like type III Mackay models, treat rain as a continuous phenomenon. This may cause severe overestimation of the substance removal from the atmosphere......? Is there an expression which can provide an accurate approximation to be used in steady state multimedia models? Assuming a periodically intermittent rain, the mass of an emitted substance which is present in the air compartment is calculated as a function of the deposition rate constants during dry and wet periods...

  5. Fate mapping of dendritic cells

    Directory of Open Access Journals (Sweden)

    Barbara Ursula Schraml

    2015-05-01

    Full Text Available Dendritic cells (DCs are a heterogeneous group of mononuclear phagocytes with versatile roles in immunity. They are classified predominantly based on phenotypic and functional properties, namely their stellate morphology, expression of the integrin CD11c and major histocompatibility class II molecules, as well as their superior capacity to migrate to secondary lymphoid organs and stimulate naïve T cells. However, these attributes are not exclusive to DCs and often change within inflammatory or infectious environments. This led to debates over cell identification and questioned even the mere existence of DCs as distinct leukocyte lineage. Here, we review experimental approaches taken to fate map DCs and discuss how these have shaped our understanding of DC ontogeny and lineage affiliation. Considering the ontogenetic properties of DCs will help to overcome the inherent shortcomings of purely phenotypic- and function-based approaches to cell definition and will yield a more robust way of DC classification.

  6. Assessing the fate of an aromatic hydrocarbon fluid in agricultural spray applications using the three-stage ADVOCATE model framework

    Science.gov (United States)

    Components of emulsifiable concentrates (ECs) used in pesticide formulations may be emitted to air following application in agricultural use and contribute to ozone formation. A key consideration is the fraction of the ECs that is volatilized. This study is designed to provide a mechanistic model fr...

  7. Modeling the fate of nitrogen on the catchment scale using a spatially explicit hydro-biogeochemical simulation system

    Science.gov (United States)

    Klatt, S.; Butterbach-Bahl, K.; Kiese, R.; Haas, E.; Kraus, D.; Molina-Herrera, S. W.; Kraft, P.

    2015-12-01

    The continuous growth of the human population demands an equally growing supply for fresh water and food. As a result, available land for efficient agriculture is constantly diminishing which forces farmers to cultivate inferior croplands and intensify agricultural practices, e.g., increase the use of synthetic fertilizers. This intensification of marginal areas in particular will cause a dangerous rise in nitrate discharge into open waters or even drinking water resources. In order to reduce the amount of nitrate lost by surface runoff or lateral subsurface transport, bufferstrips have proved to be a valuable means. Current laws, however, promote rather static designs (i.e., width and usage) even though a multitude of factors, e.g., soil type, slope, vegetation and the nearby agricultural management, determines its effectiveness. We propose a spatially explicit modeling approach enabling to assess the effects of those factors on nitrate discharge from arable lands using the fully distributed hydrology model CMF coupled to the complex biogeochemical model LandscapeDNDC. Such a modeling scheme allows to observe the displacement of dissolved nutrients in both vertical and horizontal directions and serves to estimate both their uptake by the vegetated bufferstrip and loss to the environment. First results indicate a significant reduction of nitrate loss in the presence of a bufferstrip (2.5 m). We show effects induced by various buffer strip widths and plant cover on the nitrate retention.

  8. The fate of chicory root pulp polysaccharides during fermentation in the TNO in vitro model of the colon (TIM-2)

    NARCIS (Netherlands)

    Ramasamy, U.; Venema, K.; Gruppen, H.; Schols, H.A.

    2014-01-01

    The aim of this study was to monitor cell wall polysaccharide (CWPs) utilization during fermentation by the human colonic microbiota in the TNO in vitro model of the colon (TIM-2). Chicory root pulp (CRP) and treated (ensiled) CRP (ECRP) containing four times more soluble pectin than CRP, were ferme

  9. 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.

  10. 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

    . The documents that appeared to be the most pertinent were selected from further review. These documents are tabulated in the citation list. This report summarizes existing geochemical conceptual models, but does not attempt to generate a new conceptual model or select the ''right'' model. This document is organized as follows. Geochemical models are described in general in Section 2. Geochemical processes that control the transport and fate of contaminants introduced into groundwater are described in Section 3. The natural geochemistry of the Eastern Snake River Plain Aquifer (SRPA) is described in Section 4. The effect of waste disposal on the INEEL subsurface is described in Section 5. The geochemical behavior of the major contaminants is described in Section 6. Section 7 describes the site-specific geochemical models developed for various INEEL facilities.

  11. Fate of Carbohydrates and Lignin during Composting and Mycelium Growth of Agaricus bisporus on Wheat Straw Based Compost.

    Directory of Open Access Journals (Sweden)

    Edita Jurak

    Full Text Available In wheat straw based composting, enabling growth of Agaricus bisporus mushrooms, it is unknown to which extent the carbohydrate-lignin matrix changes and how much is metabolized. In this paper we report yields and remaining structures of the major components. During the Phase II of composting 50% of both xylan and cellulose were metabolized by microbial activity, while lignin structures were unaltered. During A. bisporus' mycelium growth (Phase III carbohydrates were only slightly consumed and xylan was found to be partially degraded. At the same time, lignin was metabolized for 45% based on pyrolysis GC/MS. Remaining lignin was found to be modified by an increase in the ratio of syringyl (S to guaiacyl (G units from 0.5 to 0.7 during mycelium growth, while fewer decorations on the phenolic skeleton of both S and G units remained.

  12. Fate of Carbohydrates and Lignin during Composting and Mycelium Growth of Agaricus bisporus on Wheat Straw Based Compost.

    Science.gov (United States)

    Jurak, Edita; Punt, Arjen M; Arts, Wim; Kabel, Mirjam A; Gruppen, Harry

    2015-01-01

    In wheat straw based composting, enabling growth of Agaricus bisporus mushrooms, it is unknown to which extent the carbohydrate-lignin matrix changes and how much is metabolized. In this paper we report yields and remaining structures of the major components. During the Phase II of composting 50% of both xylan and cellulose were metabolized by microbial activity, while lignin structures were unaltered. During A. bisporus' mycelium growth (Phase III) carbohydrates were only slightly consumed and xylan was found to be partially degraded. At the same time, lignin was metabolized for 45% based on pyrolysis GC/MS. Remaining lignin was found to be modified by an increase in the ratio of syringyl (S) to guaiacyl (G) units from 0.5 to 0.7 during mycelium growth, while fewer decorations on the phenolic skeleton of both S and G units remained.

  13. Modeling of the fate of radionuclides in urban sewer systems after contamination due to nuclear or radiological incidents.

    Science.gov (United States)

    Urso, L; Kaiser, J C; Andersson, K G; Andorfer, H; Angermair, G; Gusel, C; Tandler, R

    2013-04-01

    After an accidental radioactive contamination by aerosols in inhabited areas, the radiation exposure to man is determined by complex interactions between different factors such as dry or wet deposition, different types of ground surfaces, chemical properties of the radionuclides involved and building development as well as dependence on bomb construction e.g. design and geometry. At short-term, the first rainfall is an important way of natural decontamination: deposited radionuclides are washed off from surfaces and in urban areas the resulting contaminated runoff enters the sewer system and is collected in a sewage plant. Up to now the potential exposure caused by this process has received little attention and is estimated here with simulation models. The commercial rainfall-runoff model for urban sewer systems KANAL++ has been extended to include transport of radionuclides from surfaces through the drainage to various discharge facilities. The flow from surfaces is modeled by unit hydrographs, which produce boundary conditions for a system of 1d coupled flow and transport equations in a tube system. Initial conditions are provided by a map of surface contamination which is produced by geo-statistical interpolation of γ-dose rate measurements taking into account the detector environment. The corresponding methodology is implemented in the Inhabited Area Monitoring Module (IAMM) software module as part of the European decision system JRODOS. A hypothetical scenario is considered where a Radiation Dispersal Device (RDD) with Cs-137 is detonated in a small inhabited area whose drainage system is realistically modeled. The transition of deposited radionuclides due to rainfall into the surface runoff is accounted for by different nuclide-specific entrainment coefficients for paved and unpaved surfaces. The concentration of Cs-137 in water is calculated at the nodes of the drainage system and at the sewage treatment plant. The external exposure to staff of the

  14. 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

  15. Regional long-term model of radioactivity dispersion and fate in the Northwestern Pacific and adjacent seas: application to the Fukushima Dai-ichi accident.

    Science.gov (United States)

    Maderich, V; Bezhenar, R; Heling, R; de With, G; Jung, K T; Myoung, J G; Cho, Y-K; Qiao, F; Robertson, L

    2014-05-01

    The compartment model POSEIDON-R was modified and applied to the Northwestern Pacific and adjacent seas to simulate the transport and fate of radioactivity in the period 1945-2010, and to perform a radiological assessment on the releases of radioactivity due to the Fukushima Dai-ichi accident for the period 2011-2040. The model predicts the dispersion of radioactivity in the water column and in sediments, the transfer of radionuclides throughout the marine food web, and subsequent doses to humans due to the consumption of marine products. A generic predictive dynamic food-chain model is used instead of the biological concentration factor (BCF) approach. The radionuclide uptake model for fish has as a central feature the accumulation of radionuclides in the target tissue. The three layer structure of the water column makes it possible to describe the vertical structure of radioactivity in deep waters. In total 175 compartments cover the Northwestern Pacific, the East China and Yellow Seas and the East/Japan Sea. The model was validated from (137)Cs data for the period 1945-2010. Calculated concentrations of (137)Cs in water, bottom sediments and marine organisms in the coastal compartment, before and after the accident, are in close agreement with measurements from the Japanese agencies. The agreement for water is achieved when an additional continuous flux of 3.6 TBq y(-1) is used for underground leakage of contaminated water from the Fukushima Dai-ichi NPP, during the three years following the accident. The dynamic food web model predicts that due to the delay of the transfer throughout the food web, the concentration of (137)Cs for piscivorous fishes returns to background level only in 2016. For the year 2011, the calculated individual dose rate for Fukushima Prefecture due to consumption of fishery products is 3.6 μSv y(-1). Following the Fukushima Dai-ichi accident the collective dose due to ingestion of marine products for Japan increased in 2011 by a

  16. Modeling of the fate of radionuclides in urban sewer systems after contamination due to nuclear or radiological incidents

    DEFF Research Database (Denmark)

    Urso, L.; Kaiser, J.C.; Andersson, Kasper Grann

    2013-01-01

    and building development as well as dependence on bomb construction e.g. design and geometry. At short-term, the first rainfall is an important way of natural decontamination: deposited radionuclides are washed off from surfaces and in urban areas the resulting contaminated runoff enters the sewer system...... the drainage to various discharge facilities. The flow from surfaces is modeled by unit hydrographs, which produce boundary conditions for a system of 1d coupled flow and transport equations in a tube system. Initial conditions are provided by a map of surface contamination which is produced by geostatistical......After an accidental radioactive contamination by aerosols in inhabited areas, the radiation exposure to man is determined by complex interactions between different factors such as dry or wet deposition, different types of ground surfaces, chemical properties of the radionuclides involved...

  17. Understanding the fate of chlorogenic acids in coffee roasting using mass spectrometry based targeted and non-targeted analytical strategies.

    Science.gov (United States)

    Jaiswal, Rakesh; Matei, Marius F; Golon, Agnieszka; Witt, Matthias; Kuhnert, Nikolai

    2012-09-01

    Coffee is one of mankind's most popular beverages obtained from green coffee beans by roasting. Much effort has been expended towards the chemical characterisation of the components of the roasted coffee bean, frequently termed melanoidines, which are dominated byproducts formed from its most relevant secondary metabolites - chlorogenic acids. However, impeded by a lack of suitable authentic reference standards and analytical techniques sufficiently powerful for providing insight into an extraordinarily complex enigmatic material, unsurprisingly little structural and mechanistic information about the products of coffee roasting is available. Here we report on the characterisation of low molecular weight melanoidine fractions of roasted coffee using a conceptually novel combination of targeted and non-targeted mass spectrometrical techniques. We provide an unprecedented account of the chemical composition of roasted coffee beans. Using a targeted analytical approach we show for the first time, by comparison to authentic reference standards obtained by chemical synthesis, that chlorogenic acids follow four distinct reaction pathways including epimerization, acyl migration, lactonisation and dehydration. The analytical strategy employed in a non-targeted approach uses high resolution mass spectrometry to identify the most abundant molecular formulas present in roasted coffee samples and model roasts followed by van Krevelen and homologous series analysis. We identified the molecular formulas formed from reactions of chlorogenic acids, carbohydrates and proteins, both between classes of compounds and within same classes of compounds. Furthermore, we identified two new classes of compounds formed from chlorogenic acids during roasting, chlorogenic acid acetates and O-phenolic quinoyl and shikimoyl esters of chlorogenic acids.

  18. [The fate of graduates of the Medical Cadet Officers School, the first nine graduating classes (1922-2001): based on the archives of Dr Roman Jakubski].

    Science.gov (United States)

    Morawski, T

    2001-01-01

    In 1922 a Military Medical School was set up in Warsaw. Following several reorganisations from 1928 it was known as the Medical Cadet Officers' School. This academy trained physicians, pharmacists and dentists for the needs of the Armed Forces. Professional studies were conducted at the Medical or Pharmacy Faculty of Warsaw University. By 1939, 17 incoming classes had been admitted, amounting to 903 students all told. Diplomas and officer's ranks were awarded to 462 graduates. Another 99 senior students were made officers on the eve of the war. The school ceased to exist the moment World War Two broke out. The subject of this article is the fate of graduates of the Medical Cadet Officers School (admitted from 1922 to 1930) who completed their studies in the first nine graduating classes, spent the war in Poland or returned home after the war. It is based on an analysis of archival materials gathered by the late Dr Roman Jakubski in London, who died in 2000. In 1998, he donated his collections to the Main Medical Library in Warsaw. Many graduates of the Medical Cadet Officers School survived the war, and about 26% of them perished. Many of the latter were murdered by Stalin's NKVD (security police) in Katyn and Kharkov, whilst the remainder died at the hands of the Germans while fighting on all the fronts of World War Two. The overwhelming majority of graduates of the school's first nine graduating classes proved through their often complicated biographies that their Alma Mata had played an important role in their lives. It produced many well-trained and at times superbly skilled military physicians. Some of them went on to become outstanding specialists in various fields of medicine and pharmacy. Most of them courageously defended their homeland during the Second War World, providing to be distinguished officers ready to risk their lives when the situation waranted.

  19. Occurrence and fate of pharmaceutically active compounds in the largest municipal wastewater treatment plant in Southwest China: mass balance analysis and consumption back-calculated model.

    Science.gov (United States)

    Yan, Qing; Gao, Xu; Huang, Lei; Gan, Xiu-Mei; Zhang, Yi-Xin; Chen, You-Peng; Peng, Xu-Ya; Guo, Jin-Song

    2014-03-01

    The occurrence and fate of twenty-one pharmaceutically active compounds (PhACs) were investigated in different steps of the largest wastewater treatment plant (WWTP) in Southwest China. Concentrations of these PhACs were determined in both wastewater and sludge phases by a high-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry. Results showed that 21 target PhACs were present in wastewater and 18 in sludge. The calculated total mass load of PhACs per capita to the influent, the receiving water and sludge were 4.95mgd(-1)person(-1), 889.94μgd(-1)person(-1) and 78.57μgd(-1)person(-1), respectively. The overall removal efficiency of the individual PhACs ranged from "negative removal" to almost complete removal. Mass balance analysis revealed that biodegradation is believed to be the predominant removal mechanism, and sorption onto sludge was a relevant removal pathway for quinolone antibiotics, azithromycin and simvastatin, accounting for 9.35-26.96% of the initial loadings. However, the sorption of the other selected PhACs was negligible. The overall pharmaceutical consumption in Chongqing, China, was back-calculated based on influent concentration by considering the pharmacokinetics of PhACs in humans. The back-estimated usage was in good agreement with usage of ofloxacin (agreement ratio: 72.5%). However, the back-estimated usage of PhACs requires further verification. Generally, the average influent mass loads and back-calculated annual per capita consumption of the selected antibiotics were comparable to or higher than those reported in developed countries, while the case of other target PhACs was opposite.

  20. Studies of the fate of sulfur trioxide in coal-fired utility boilers based on modified selected condensation methods.

    Science.gov (United States)

    Cao, Yan; Zhou, Hongcang; Jiang, Wu; Chen, Chien-Wei; Pan, Wei-Ping

    2010-05-01

    The formation of sulfur trioxide (SO(3)) in coal-fired utility boilers can have negative effects on boiler performance and operation, such as fouling and corrosion of equipment, efficiency loss in the air preheater (APH), increase in stack opacity, and the formation of PM(2.5). Sulfur trioxide can also compete with mercury when bonding with injected activated carbons. Tests in a lab-scale reactor confirmed there are major interferences between fly ash and SO(3) during SO(3) sampling. A modified SO(3) procedure to maximize the elimination of measurement biases, based on the inertial-filter-sampling and the selective-condensation-collecting of SO(3), was applied in SO(3) tests in three full-scale utility boilers. For the two units burning bituminous coal, SO(3) levels starting at 20 to 25 ppmv at the inlet to the selective catalytic reduction (SCR), increased slightly across the SCR, owing to catalytic conversion of SO(2) to SO(3,) and then declined in other air pollutant control device (APCD) modules downstream to approximately 5 ppmv and 15 ppmv at the two sites, respectively. In the unit burning sub-bituminous coal, the much lower initial concentration of SO(3) estimated to be approximately 1.5 ppmv at the inlet to the SCR was reduced to about 0.8 ppmv across the SCR and to about 0.3 ppmv at the exit of the wet flue gas desulfurization (WFGD). The SO(3) removal efficiency across the WFGD scrubbers at the three sites was generally 35% or less. Reductions in SO(3) across either the APH or the dry electrostatic precipitator (ESP) in units burning high-sulfur bituminous coal were attributed to operating temperatures being below the dew point of SO(3).

  1. Sonic Hedgehog Controls the Phenotypic Fate and Therapeutic Efficacy of Grafted Neural Precursor Cells in a Model of Nigrostriatal Neurodegeneration.

    Science.gov (United States)

    Madhavan, Lalitha; Daley, Brian F; Davidson, Beverly L; Boudreau, Ryan L; Lipton, Jack W; Cole-Strauss, Allyson; Steece-Collier, Kathy; Collier, Timothy J

    2015-01-01

    The expression of soluble growth and survival promoting factors by neural precursor cells (NPCs) is suggested to be a prominent mechanism underlying the protective and regenerative effects of these cells after transplantation. Nevertheless, how and to what extent specific NPC-expressed factors contribute to therapeutic effects is not well understood. Using RNA silencing, the current study investigated the roles of two donor NPC molecules, namely glial cell-line derived neurotrophic factor (GDNF) and sonic hedgehog (SHH), in the protection of substantia nigra dopamine neurons in rats treated with 6-hydroxydopamine (6-OHDA). Analyses indicate that as opposed to the knock-down of GDNF, SHH inhibition caused a profound decline in nigrostriatal neuroprotection. Further, SHH silencing also curbed endogenous neurogenesis and the migration of host brdU+/dcx+ neural precursors into the striatum, which was present in the animals receiving control or GDNF silenced NPCs. A change in graft phenotype, mainly reflected by a reduced proportion of undifferentiated nestin+ cells, as well as a significantly greater host microglial activity, suggested an important role for these processes in the attenuation of neuroprotection and neurogenesis upon SHH silencing. Overall these studies reveal core mechanisms fundamental to grafted NPC-based therapeutic effects, and delineate the particular contributions of two graft-expressed molecules, SHH and GDNF, in mediating midbrain dopamine neuron protection, and host plasticity after NPC transplantation.

  2. 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...

  3. Modeling the long-term fate of agricultural nitrate in groundwater in the San Joaquin Valley, California

    Science.gov (United States)

    Chapelle, Francis H.; Campbell, Bruce G.; Widdowson, Mark A.; Landon, Mathew K.

    2013-01-01

    (POC) are the primary electron donors driving active denitrification in groundwater. The purpose of this chapter is to use a numerical mass balance modeling approach to quantitatively compare sources of electron donors (DOC, POC) and electron acceptors (dissolved oxygen, nitrate, and ferric iron) in order to assess the potential for denitrification to attenuate nitrate migration in the Central Valley aquifer.

  4. Cluster Based Text Classification Model

    DEFF Research Database (Denmark)

    2011-01-01

    We propose a cluster based classification model for suspicious email detection and other text classification tasks. The text classification tasks comprise many training examples that require a complex classification model. Using clusters for classification makes the model simpler and increases th...... datasets. Our model also outperforms A Decision Cluster Classification (ADCC) and the Decision Cluster Forest Classification (DCFC) models on the Reuters-21578 dataset....

  5. 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...

  6. 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...

  7. Method for gesture based modeling

    DEFF Research Database (Denmark)

    2006-01-01

    A computer program based method is described for creating models using gestures. On an input device, such as an electronic whiteboard, a user draws a gesture which is recognized by a computer program and interpreted relative to a predetermined meta-model. Based on the interpretation, an algorithm...... is assigned to the gesture drawn by the user. The executed algorithm may, for example, consist in creating a new model element, modifying an existing model element, or deleting an existing model element....

  8. Fate in intermittent claudication

    DEFF Research Database (Denmark)

    Jelnes, Rolf; Gaardsting, O; Hougaard Jensen, K

    1986-01-01

    The fate of 257 consecutive patients (100 women) aged 36-85 years (mean 65) first seen with intermittent claudication in 1977 was analysed after a mean of 6.5 (SD 0.5) years. When first seen none of the patients complained of rest pain or had ulcers or gangrenous lesions on the feet. At follow up....... The rate of clinical progression of the arteriosclerotic disease (that is, rest pain or gangrene) of the worst affected leg was 7.5% in the first year after referral. Thereafter the rate was 2.2% a year. An ankle systolic blood pressure below 70 mm Hg, a toe systolic blood pressure below 40 mm Hg......, or an ankle/arm pressure index below 50% were individually significantly associated with progression of the arteriosclerotic disease. These findings show the importance of peripheral blood pressure measurements in the management of patients with intermittent claudication due to arteriosclerotic disease....

  9. Model Construct Based Enterprise Model Architecture and Its Modeling Approach

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    In order to support enterprise integration, a kind of model construct based enterprise model architecture and its modeling approach are studied in this paper. First, the structural makeup and internal relationships of enterprise model architecture are discussed. Then, the concept of reusable model construct (MC) which belongs to the control view and can help to derive other views is proposed. The modeling approach based on model construct consists of three steps, reference model architecture synthesis, enterprise model customization, system design and implementation. According to MC based modeling approach a case study with the background of one-kind-product machinery manufacturing enterprises is illustrated. It is shown that proposal model construct based enterprise model architecture and modeling approach are practical and efficient.

  10. HMM-based Trust Model

    DEFF Research Database (Denmark)

    ElSalamouny, Ehab; Nielsen, Mogens; Sassone, Vladimiro

    2010-01-01

    with their dynamic behaviour. Using Hidden Markov Models (HMMs) for both modelling and approximating the behaviours of principals, we introduce the HMM-based trust model as a new approach to evaluating trust in systems exhibiting dynamic behaviour. This model avoids the fixed behaviour assumption which is considered...... the major limitation of existing Beta trust model. We show the consistency of the HMM-based trust model and contrast it against the well known Beta trust model with the decay principle in terms of the estimation precision....

  11. Model-Based Reasoning

    Science.gov (United States)

    Ifenthaler, Dirk; Seel, Norbert M.

    2013-01-01

    In this paper, there will be a particular focus on mental models and their application to inductive reasoning within the realm of instruction. A basic assumption of this study is the observation that the construction of mental models and related reasoning is a slowly developing capability of cognitive systems that emerges effectively with proper…

  12. 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...

  13. Model-based Software Engineering

    DEFF Research Database (Denmark)

    2010-01-01

    The vision of model-based software engineering is to make models the main focus of software development and to automatically generate software from these models. Part of that idea works already today. But, there are still difficulties when it comes to behaviour. Actually, there is no lack in models...

  14. Model-based Software Engineering

    DEFF Research Database (Denmark)

    2010-01-01

    The vision of model-based software engineering is to make models the main focus of software development and to automatically generate software from these models. Part of that idea works already today. But, there are still difficulties when it comes to behaviour. Actually, there is no lack in models...

  15. Fate of antibiotic resistance genes and its drivers during anaerobic co-digestion of food waste and sewage sludge based on microwave pretreatment.

    Science.gov (United States)

    Zhang, Junya; Chen, Meixue; Sui, Qianwen; Wang, Rui; Tong, Juan; Wei, Yuansong

    2016-10-01

    In this study, anaerobic digestion of mono-SS, MW-SS:FW and SS:MW-FW was investigated to understand the fate of ARGs and its drivers. Anaerobic digestion was effective for the reduction of metal resistance genes (MRGs), and could reduce the abundance of blaOXA-1, sulI and tetG, while sulII in co-digestion and blaTEM and ereA only in MW-SS. ARGs reduction could be partly attributed to the reduction of co-selective pressure from heavy metals reflected by MRGs. However, the abundance of mefA/E, ermB, ermF, tetM and tetX increased significantly. Anaerobic co-digestion, especially for MW-SS, could reduce total ARGs abundance compared with mono-SS, and evolution of bacterial community was the main driver for the fate of ARGs.

  16. Principles of models based engineering

    Energy Technology Data Exchange (ETDEWEB)

    Dolin, R.M.; Hefele, J.

    1996-11-01

    This report describes a Models Based Engineering (MBE) philosophy and implementation strategy that has been developed at Los Alamos National Laboratory`s Center for Advanced Engineering Technology. A major theme in this discussion is that models based engineering is an information management technology enabling the development of information driven engineering. Unlike other information management technologies, models based engineering encompasses the breadth of engineering information, from design intent through product definition to consumer application.

  17. Element-Based Computational Model

    Directory of Open Access Journals (Sweden)

    Conrad Mueller

    2012-02-01

    Full Text Available A variation on the data-flow model is proposed to use for developing parallel architectures. While the model is a data driven model it has significant differences to the data-flow model. The proposed model has an evaluation cycleof processing elements (encapsulated data that is similar to the instruction cycle of the von Neumann model. The elements contain the information required to process them. The model is inherently parallel. An emulation of the model has been implemented. The objective of this paper is to motivate support for taking the research further. Using matrix multiplication as a case study, the element/data-flow based model is compared with the instruction-based model. This is done using complexity analysis followed by empirical testing to verify this analysis. The positive results are given as motivation for the research to be taken to the next stage - that is, implementing the model using FPGAs.

  18. Graph Model Based Indoor Tracking

    DEFF Research Database (Denmark)

    Jensen, Christian Søndergaard; Lu, Hua; Yang, Bin

    2009-01-01

    infrastructure for different symbolic positioning technologies, e.g., Bluetooth and RFID. More specifically, the paper proposes a model of indoor space that comprises a base graph and mappings that represent the topology of indoor space at different levels. The resulting model can be used for one or several...... indoor positioning technologies. Focusing on RFID-based positioning, an RFID specific reader deployment graph model is built from the base graph model. This model is then used in several algorithms for constructing and refining trajectories from raw RFID readings. Empirical studies with implementations...

  19. Fate of Volatile Organic Compounds in Constructed Wastewater Treatment Wetlands

    Science.gov (United States)

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

    2004-01-01

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

  20. A subset of osteoblasts expressing high endogenous levels of PPARgamma switches fate to adipocytes in the rat calvaria cell culture model.

    Directory of Open Access Journals (Sweden)

    Yuji Yoshiko

    Full Text Available BACKGROUND: Understanding fate choice and fate switching between the osteoblast lineage (ObL and adipocyte lineage (AdL is important to understand both the developmental inter-relationships between osteoblasts and adipocytes and the impact of changes in fate allocation between the two lineages in normal aging and certain diseases. The goal of this study was to determine when during lineage progression ObL cells are susceptible to an AdL fate switch by activation of endogenous peroxisome proliferator-activated receptor (PPARgamma. METHODOLOGY/PRINCIPAL FINDINGS: Multiple rat calvaria cells within the ObL developmental hierarchy were isolated by either fractionation on the basis of expression of alkaline phosphatase or retrospective identification of single cell-derived colonies, and treated with BRL-49653 (BRL, a synthetic ligand for PPARgamma. About 30% of the total single cell-derived colonies expressed adipogenic potential (defined cytochemically when BRL was present. Profiling of ObL and AdL markers by qRT-PCR on amplified cRNA from over 160 colonies revealed that BRL-dependent adipogenic potential correlated with endogenous PPARgamma mRNA levels. Unexpectedly, a significant subset of relatively mature ObL cells exhibited osteo-adipogenic bipotentiality. Western blotting and immunocytochemistry confirmed that ObL cells co-expressed multiple mesenchymal lineage determinants (runt-related transcription factor 2 (Runx2, PPARgamma, Sox9 and MyoD which localized in the cytoplasm initially, and only Runx2 translocated to the nucleus during ObL progression. Notably, however, some cells exhibited both PPARgamma and Runx2 nuclear labeling with concomitant upregulation of expression of their target genes with BRL treatment. CONCLUSIONS/SIGNIFICANCE: We conclude that not only immature but a subset of relatively mature ObL cells characterized by relatively high levels of endogenous PPARgamma expression can be switched to the AdL. The fact that some Ob

  1. Model complexity and choice of model approaches for practical simulations of CO2 injection, migration, leakage and long-term fate

    Energy Technology Data Exchange (ETDEWEB)

    Celia, Michael A. [Princeton Univ., NJ (United States)

    2016-12-30

    This report documents the accomplishments achieved during the project titled “Model complexity and choice of model approaches for practical simulations of CO2 injection,migration, leakage and long-term fate” funded by the US Department of Energy, Office of Fossil Energy. The objective of the project was to investigate modeling approaches of various levels of complexity relevant to geologic carbon storage (GCS) modeling with the goal to establish guidelines on choice of modeling approach.

  2. Model-based consensus

    NARCIS (Netherlands)

    Boumans, Marcel

    2014-01-01

    The aim of the rational-consensus method is to produce “rational consensus”, that is, “mathematical aggregation”, by weighing the performance of each expert on the basis of his or her knowledge and ability to judge relevant uncertainties. The measurement of the performance of the experts is based on

  3. Model-based consensus

    NARCIS (Netherlands)

    M. Boumans

    2014-01-01

    The aim of the rational-consensus method is to produce "rational consensus", that is, "mathematical aggregation", by weighing the performance of each expert on the basis of his or her knowledge and ability to judge relevant uncertainties. The measurement of the performance of the experts is based on

  4. Graph Model Based Indoor Tracking

    DEFF Research Database (Denmark)

    Jensen, Christian Søndergaard; Lu, Hua; Yang, Bin

    2009-01-01

    The tracking of the locations of moving objects in large indoor spaces is important, as it enables a range of applications related to, e.g., security and indoor navigation and guidance. This paper presents a graph model based approach to indoor tracking that offers a uniform data management...... infrastructure for different symbolic positioning technologies, e.g., Bluetooth and RFID. More specifically, the paper proposes a model of indoor space that comprises a base graph and mappings that represent the topology of indoor space at different levels. The resulting model can be used for one or several...... indoor positioning technologies. Focusing on RFID-based positioning, an RFID specific reader deployment graph model is built from the base graph model. This model is then used in several algorithms for constructing and refining trajectories from raw RFID readings. Empirical studies with implementations...

  5. Efficient Model-Based Exploration

    NARCIS (Netherlands)

    Wiering, M.A.; Schmidhuber, J.

    1998-01-01

    Model-Based Reinforcement Learning (MBRL) can greatly profit from using world models for estimating the consequences of selecting particular actions: an animat can construct such a model from its experiences and use it for computing rewarding behavior. We study the problem of collecting useful exper

  6. Event-Based Conceptual Modeling

    DEFF Research Database (Denmark)

    Bækgaard, Lars

    The paper demonstrates that a wide variety of event-based modeling approaches are based on special cases of the same general event concept, and that the general event concept can be used to unify the otherwise unrelated fields of information modeling and process modeling. A set of event......-based modeling approaches are analyzed and the results are used to formulate a general event concept that can be used for unifying the seemingly unrelated event concepts. Events are characterized as short-duration processes that have participants, consequences, and properties, and that may be modeled in terms...... of information structures. The general event concept can be used to guide systems analysis and design and to improve modeling approaches....

  7. The fate of pancake vortices

    Science.gov (United States)

    Sutyrin, G. G.; Radko, T.

    2017-03-01

    Nonlinear evolution of pancake-like vortices in a uniformly rotating and stratified fluid is studied using a 3D Boussinesq numerical model at large Rossby numbers. After the initial stage of viscous decay, the simulations reveal exponential growth of toroidal circulation cells (aka Taylor vortices) at the peripheral annulus with a negative Rayleigh discriminant. At the nonlinear stage, these thin cells redistribute the angular momentum and density differently at the levels of radial outflow and inflow. Resulting layering, with a vertical stacking of sharp variations in velocity and density, enhances small-scale mixing and energy decay. Characteristic detectable stretching patterns are produced in the density field. The circulation patterns, induced by centrifugal instability, tend to homogenize the angular momentum in the vicinity of the unstable region. We demonstrate that the peak intensity of the cells and the vortex energy decay are dramatically reduced by the earth's rotation due to conservation of total absolute angular momentum. The results have important implications for better understanding the fate of pancake vortices and physical mechanisms of energy transfer in stratified fluids.

  8. Subcellular localization and functional domain studies of DEFECTIVE KERNEL1 in maize and Arabidopsis suggest a model for aleurone cell fate specification involving CRINKLY4 and SUPERNUMERARY ALEURONE LAYER1.

    Science.gov (United States)

    Tian, Qing; Olsen, Lene; Sun, Beimeng; Lid, Stein Erik; Brown, Roy C; Lemmon, Betty E; Fosnes, Kjetil; Gruis, Darren Fred; Opsahl-Sorteberg, Hilde-Gunn; Otegui, Marisa S; Olsen, Odd-Arne

    2007-10-01

    DEFECTIVE KERNEL1 (DEK1), which consists of a membrane-spanning region (DEK1-MEM) and a calpain-like Cys proteinase region (DEK1-CALP), is essential for aleurone cell formation at the surface of maize (Zea mays) endosperm. Immunolocalization and FM4-64 dye incubation experiments showed that DEK1 and CRINKLY4 (CR4), a receptor kinase implicated in aleurone cell fate specification, colocalized to plasma membrane and endosomes. SUPERNUMERARY ALEURONE LAYER1 (SAL1), a negative regulator of aleurone cell fate encoding a class E vacuolar sorting protein, colocalized with DEK1 and CR4 in endosomes. Immunogold localization, dual-axis electron tomography, and diffusion of fluorescent dye tracers showed that young aleurone cells established symplastic subdomains through plasmodesmata of larger dimensions than those connecting starchy endosperm cells and that CR4 preferentially associated with plasmodesmata between aleurone cells. Genetic complementation experiments showed that DEK1-CALP failed to restore wild-type phenotypes in maize and Arabidopsis thaliana dek1 mutants, and DEK1-MEM also failed to restore wild-type phenotypes in Arabidopsis dek1-1 mutants. Instead, ectopic expression of DEK1-MEM under the control of the cauliflower mosaic virus 35S promoter gave a dominant negative phenotype. These data suggest a model for aleurone cell fate specification in which DEK1 perceives and/or transmits a positional signal, CR4 promotes the lateral movement of aleurone signaling molecules between aleurone cells, and SAL1 maintains the proper plasma membrane concentration of DEK1 and CR4 proteins via endosome-mediated recycling/degradation.

  9. The fate of volatiles in mid-ocean ridge magmatism

    CERN Document Server

    Keller, Tobias; Hirschmann, Marc M

    2016-01-01

    Deep-Earth volatile cycles couple the mantle with near-surface reservoirs. Volatiles are emitted by volcanism and, in particular, from mid-ocean ridges, which are the most prolific source of basaltic volcanism. Estimates of volatile extraction from the asthenosphere beneath ridges typically rely on measurements of undegassed lavas combined with simple petrogenetic models of the mean degree of melting. Estimated volatile fluxes have large uncertainties; this is partly due to a poor understanding of how volatiles are transported by magma in the asthenosphere. Here, we assess the fate of mantle volatiles through numerical simulations of melting and melt transport at mid-ocean ridges. Our simulations are based on two-phase, magma/mantle dynamics theory coupled to an idealised thermodynamic model of mantle melting in the presence of water and carbon dioxide. We combine simulation results with catalogued observations of all ridge segments to estimate a range of likely volatile output from the global mid-ocean ridge...

  10. Empirically Based, Agent-based models

    Directory of Open Access Journals (Sweden)

    Elinor Ostrom

    2006-12-01

    Full Text Available There is an increasing drive to combine agent-based models with empirical methods. An overview is provided of the various empirical methods that are used for different kinds of questions. Four categories of empirical approaches are identified in which agent-based models have been empirically tested: case studies, stylized facts, role-playing games, and laboratory experiments. We discuss how these different types of empirical studies can be combined. The various ways empirical techniques are used illustrate the main challenges of contemporary social sciences: (1 how to develop models that are generalizable and still applicable in specific cases, and (2 how to scale up the processes of interactions of a few agents to interactions among many agents.

  11. 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.

  12. Base Flow Model Validation Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The program focuses on turbulence modeling enhancements for predicting high-speed rocket base flows. A key component of the effort is the collection of high-fidelity...

  13. 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.

  14. Event-Based Conceptual Modeling

    DEFF Research Database (Denmark)

    Bækgaard, Lars

    2009-01-01

    The purpose of the paper is to obtain insight into and provide practical advice for event-based conceptual modeling. We analyze a set of event concepts and use the results to formulate a conceptual event model that is used to identify guidelines for creation of dynamic process models and static...... information models. We characterize events as short-duration processes that have participants, consequences, and properties, and that may be modeled in terms of information structures. The conceptual event model is used to characterize a variety of event concepts and it is used to illustrate how events can...... be used to integrate dynamic modeling of processes and static modeling of information structures. The results are unique in the sense that no other general event concept has been used to unify a similar broad variety of seemingly incompatible event concepts. The general event concept can be used...

  15. Event-Based Activity Modeling

    DEFF Research Database (Denmark)

    Bækgaard, Lars

    2004-01-01

    We present and discuss a modeling approach that supports event-based modeling of information and activity in information systems. Interacting human actors and IT-actors may carry out such activity. We use events to create meaningful relations between information structures and the related activit...

  16. Modelling Gesture Based Ubiquitous Applications

    CERN Document Server

    Zacharia, Kurien; Varghese, Surekha Mariam

    2011-01-01

    A cost effective, gesture based modelling technique called Virtual Interactive Prototyping (VIP) is described in this paper. Prototyping is implemented by projecting a virtual model of the equipment to be prototyped. Users can interact with the virtual model like the original working equipment. For capturing and tracking the user interactions with the model image and sound processing techniques are used. VIP is a flexible and interactive prototyping method that has much application in ubiquitous computing environments. Different commercial as well as socio-economic applications and extension to interactive advertising of VIP are also discussed.

  17. 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.

  18. Understanding the distribution, degradation and fate of organophosphate esters in an advanced municipal sewage treatment plant based on mass flow and mass balance analysis.

    Science.gov (United States)

    Liang, Kang; Liu, Jingfu

    2016-02-15

    Although organophosphate esters (OPEs) in the ambient environment are from sewage treatment plants due to the discharge of effluent and application of sludge, the distribution, degradation and fate of OPEs in advanced municipal sewage treatment plants remain unclear. This work focused on the use of mass flow and mass balance analysis to understand the behaviors and fate of 14 OPEs in an advanced municipal sewage treatment plant. OPEs were detected in all sewage water and sludge samples with total OPEs (ΣOPEs) concentrations of 1399 ± 263 ng/L in raw sewage aqueous phase, 833 ± 175 ng/L in tertiary effluent aqueous phase, and 315 ± 89 ng/g dry weight in dewatered sludge. The dissolved concentrations of ΣOPEs significantly decreased during biological treatment, whereas negligible decrease was observed in mechanical and physical-chemical treatments. For individual OPE, the chlorinated tris(2-chloroethyl) phosphate (TCEP) and tris(2-chloroisopropyl) phosphate (TCPP) did not decrease but increased during both biological treatment and physical-chemical treatment. Mass flow analysis indicated the total removal efficiency of ΣOPEs in aqueous phase was 40.5%, and the polarity-specific removal efficiencies for individual OPE were positively related to their solid-water partition coefficients (Kd). Furthermore, mass balance results showed that 53.1% and 6.3% of the initial OPE mass flow were eventually transferred to the effluents and dewatered sludge, respectively, while the remaining 39.9% and 0.7% were lost due to biodegradation and physical-chemical treatment, respectively. It was indicated that the activated sludge treatment system with anaerobic/anoxic/aerobic bioreactors was a major factor in the removal of OPEs from the raw sewage, while transfer to dewatered sludge governed by hydrophobic interactions was limited during the sewage treatment. Meanwhile, the degradation difference of OPEs in activated sludge treatment was more related with their molecular

  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. Agent Based Multiviews Requirements Model

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Based on the current researches of viewpoints oriented requirements engineering and intelligent agent, we present the concept of viewpoint agent and its abstract model based on a meta-language for multiviews requirements engineering. It provided a basis for consistency checking and integration of different viewpoint requirements, at the same time, these checking and integration works can automatically realized in virtue of intelligent agent's autonomy, proactiveness and social ability. Finally, we introduce the practical application of the model by the case study of data flow diagram.

  1. Genetic Circuit Architectures Underlying Cell Fate Choices for Immunity

    Science.gov (United States)

    Dinner, Aaron

    2009-03-01

    Antigen stimulated B cells follow an unusual developmental trajectory that transiently passes through a germinal center state, which promotes receptor affinity maturation and immunoglobulin class switching, before terminally differentiating into antibody secreting plasma cells. It was found that graded expression of the transcription factor IRF-4 regulates cell fate, but the relationship between antigen receptor signaling, the network of interactions with IRF-4, and cell fate was not known. This talk describes models that link ligand-receptor avidity with cell fate. The models have been validated experimentally by directly varying the levels and kinetics of IRF-4 accumulation. Furthermore, signaling through the antigen receptor is demonstrated to control the expression of IRF-4 and in turn the frequency of B cells that undergo class switching before differentiating into plasma cells. These findings provide an explanation for experiments that measure B cell numbers in transgenic mice. The architecture of our regulatory circuit provides a general mechanism for quantitative variations in a signal to be translated into a binary cell-fate choice involving transient expression of one of the two developmental fates. In collaboration with Aryeh Warmflash, Ying Li, Roger Sciammas, and Harinder Singh, The University of Chicago.

  2. The Atmospheric Fate of Organic Nitrogen Compounds

    Science.gov (United States)

    Borduas, Nadine

    Organic nitrogen compounds are present in our atmosphere from biogenic and anthropogenic sources and have impacts on air quality and climate. Due to recent advances in instrumentation, these compounds are being detected in the gas and particle phases, raising questions as to their source, processing and sinks in the environment. With their recently identified role as contributors to aerosol formation and growth, their novel large scale use as solvents in carbon capture and storage (CCS) technology and their emissions from cigarette smoke, it is now important to address the gaps in our understanding of the fate of organic nitrogen. Experimentally and theoretically, I studied the chemical atmospheric fate of specific organic nitrogen compounds in the amine, amide and isocyanate families, yielding information that can be used in chemical transport models to assess the fate of this emerging class of atmospheric molecules. I performed kinetic laboratory studies in a smog chamber to measure the room temperature rate coefficient for reaction with the hydroxyl radical of monoethanolamine, nicotine, and five different amides. I employed online-mass spectrometry techniques to quantify the oxidation products. I found that amines react quickly with OH radicals with lifetimes of a few hours under sunlit conditions, producing amides as oxidation products. My studies on amides revealed that they have much longer lifetimes in the atmosphere, ranging from a few hours to a week. Photo-oxidation of amides produces isocyanates and I investigated these mechanisms in detail using ab initio calculations. Furthermore, I experimentally measured isocyanic acid's Henry's Law constant as well as its hydrolysis rate constants to better understand its sinks in the atmosphere. Finally, I re-examined the structure-activity relationship (SAR) of organic nitrogen molecules for improved model parameterizations.

  3. Uncertain nest fates in songbird studies and variation in Mayfield estimation

    Science.gov (United States)

    Manolis, J.C.; Andersen, D.E.; Cuthbert, F.J.

    2000-01-01

    Determining whether nesting attempts are successful can be difficult. Yet, current protocols for estimating nesting success do not address how uncertain nest fates should be handled. We examined the problem of nest-fate uncertainty as it relates to Mayfield estimation of nesting success and in analyses of factors that influence success. We used data from Minnesota to illustrate the potential effect of uncertain fate; 40% of Ovenbird (Seiurus aurocapillus; n = 127) nests and 30% of Least Flycatcher (Empidonax minimus; n = 144) nests had uncertain fates. How this uncertainty is incorporated into Mayfield estimates of success varied widely among researchers. In a survey of researchers who use the Mayfield method, 9 of 22 respondents (of 40 contacted) excluded nests with uncertain fate. Excluding uncertain fates is counter to how Mayfield first described his estimator and can result in severe downward bias. The remaining respondents (59%) included nests with uncertain fate but varied in how they terminated the exposure period. We developed a simulation model that calculated Mayfield estimates using different approaches and compared them with a known rate of nesting success. Magnitude of bias in Mayfield estimates varied considerably in our simulations. The approach with the least bias terminated exposure with the last observed active date for nests with uncertain fate, and with the midpoint between last observed active and first observed inactive dates for nests with known fate. In addition, information necessary to interpret and compare Mayfield estimates often is not reported. These values, including variance estimates and the period lengths used to estimate survival rates, should be reported with Mayfield estimates. Finally, nest fate is commonly used as a categorical variable in studies of factors affecting nesting success. In this approach, however, nests with uncertain fate must be excluded. An alternative approach is Cox regression, which incorporates nests with

  4. Simulating the fate of fall- and spring-applied poultry litter nitrogen in corn production

    Science.gov (United States)

    Monitoring the fate of N derived from manures applied to fertilize crops is difficult, time consuming, and relatively expensive. But computer simulation models can help understand the interactions among various N processes in the soil-plant system and determine the fate of applied N. The RZWQM2 was ...

  5. Model-Based Security Testing

    CERN Document Server

    Schieferdecker, Ina; Schneider, Martin; 10.4204/EPTCS.80.1

    2012-01-01

    Security testing aims at validating software system requirements related to security properties like confidentiality, integrity, authentication, authorization, availability, and non-repudiation. Although security testing techniques are available for many years, there has been little approaches that allow for specification of test cases at a higher level of abstraction, for enabling guidance on test identification and specification as well as for automated test generation. Model-based security testing (MBST) is a relatively new field and especially dedicated to the systematic and efficient specification and documentation of security test objectives, security test cases and test suites, as well as to their automated or semi-automated generation. In particular, the combination of security modelling and test generation approaches is still a challenge in research and of high interest for industrial applications. MBST includes e.g. security functional testing, model-based fuzzing, risk- and threat-oriented testing,...

  6. IBSEM: An Individual-Based Atlantic Salmon Population Model.

    Directory of Open Access Journals (Sweden)

    Marco Castellani

    Full Text Available Ecology and genetics can influence the fate of individuals and populations in multiple ways. However, to date, few studies consider them when modelling the evolutionary trajectory of populations faced with admixture with non-local populations. For the Atlantic salmon, a model incorporating these elements is urgently needed because many populations are challenged with gene-flow from non-local and domesticated conspecifics. We developed an Individual-Based Salmon Eco-genetic Model (IBSEM to simulate the demographic and population genetic change of an Atlantic salmon population through its entire life-cycle. Processes such as growth, mortality, and maturation are simulated through stochastic procedures, which take into account environmental variables as well as the genotype of the individuals. IBSEM is based upon detailed empirical data from salmon biology, and parameterized to reproduce the environmental conditions and the characteristics of a wild population inhabiting a Norwegian river. Simulations demonstrated that the model consistently and reliably reproduces the characteristics of the population. Moreover, in absence of farmed escapees, the modelled populations reach an evolutionary equilibrium that is similar to our definition of a 'wild' genotype. We assessed the sensitivity of the model in the face of assumptions made on the fitness differences between farm and wild salmon, and evaluated the role of straying as a buffering mechanism against the intrusion of farm genes into wild populations. These results demonstrate that IBSEM is able to capture the evolutionary forces shaping the life history of wild salmon and is therefore able to model the response of populations under environmental and genetic stressors.

  7. Noninvasive Assessment of Cell Fate and Biology in Transplanted Mesenchymal Stem Cells.

    Science.gov (United States)

    Franchi, Federico; Rodriguez-Porcel, Martin

    2017-01-01

    Recently, molecular imaging has become a conditio sine qua non for cell-based regenerative medicine. Developments in molecular imaging techniques, such as reporter gene technology, have increasingly enabled the noninvasive assessment of the fate and biology of cells after cardiovascular applications. In this context, bioluminescence imaging is the most commonly used imaging modality in small animal models of preclinical studies. Here, we present a detailed protocol of a reporter gene imaging approach for monitoring the viability and biology of Mesenchymal Stem Cells transplanted in a mouse model of myocardial ischemia reperfusion injury.

  8. Innovative framework to simulate the fate and transport of nonconservative constituents in urban combined sewer catchments

    Science.gov (United States)

    Morales, V. M.; Quijano, J. C.; Schmidt, A.; Garcia, M. H.

    2016-11-01

    We have developed a probabilistic model to simulate the fate and transport of nonconservative constituents in urban watersheds. The approach implemented here extends previous studies that rely on the geomorphological instantaneous unit hydrograph concept to include nonconservative constituents. This is implemented with a factor χ that affects the transfer functions and therefore accounts for the loss (gain) of mass associated with the constituent as it travels through the watershed. Using this framework, we developed an analytical solution for the dynamics of dissolved oxygen (DO) and biochemical oxygen demand (BOD) in urban networks based on the Streeter and Phelps model. This model breaks down the catchment into a discreet number of possible flow paths through the system, requiring less data and implementation effort than well-established deterministic models. Application of the model to one sewer catchment in the Chicago area with available BOD information proved its ability to predict the BOD concentration observed in the measurements. In addition, comparison of the model with a calibrated Storm Water Management Model (SWMM) of another sewer catchment from the Chicago area showed that the model predicted the BOD concentration as well as the widely accepted SWMM. The developed model proved to be a suitable alternative to simulate the fate and transport of constituents in urban catchments with limited and uncertain input data.

  9. LC–MS/MS based-comparative study of (S-nicotine metabolism by microorganisms, mushroom and plant cultures: Parallels to its mammalian metabolic fate

    Directory of Open Access Journals (Sweden)

    Amira R. Khattab

    2015-12-01

    Full Text Available The metabolic fate of nicotine using the cell cultures of microorganisms, mushroom and plants was explored using LC–MS/MS analysis. The study demonstrated parallels to phase I mammalian metabolism of nicotine and reported that nicotine was biotransformed into its N-oxide by Streptomyces fradiae culture. Moreover, it was metabolized in Pleurotus ostreatus culture into nornicotine, norcotinine and β-nicotyrine; whereas, cotinine and its 3′-hydroxylated derivative were the identified nicotine metabolic products in Pimpinella anisum cell culture. However, the microbial culture of Agaricus bisporus bioconverted nicotine into one of its derived-carcinogenic nitrosamines which is “4-(methylnitrosamino-4-(3-pyridylbutanal”. Mushroom and plant cell cultures were thus proven to be competent to microbial cultures in bioconverting nicotine into many of its previously reported metabolites. Convincingly, the obtained results highlighted the prospect of utilizing other species which are intrinsically-endowed with unique biocatalytic systems, such as mushrooms and plants, in the drug metabolic studies.

  10. Cell fate regulation in early mammalian development

    Science.gov (United States)

    Oron, Efrat; Ivanova, Natalia

    2012-08-01

    Preimplantation development in mammals encompasses a period from fertilization to implantation and results in formation of a blastocyst composed of three distinct cell lineages: epiblast, trophectoderm and primitive endoderm. The epiblast gives rise to the organism, while the trophectoderm and the primitive endoderm contribute to extraembryonic tissues that support embryo development after implantation. In many vertebrates, such as frog or fish, maternally supplied lineage determinants are partitioned within the egg. Cell cleavage that follows fertilization results in polarization of these factors between the individual blastomeres, which become restricted in their developmental fate. In contrast, the mouse oocyte and zygote lack clear polarity and, until the eight-cell stage, individual blastomeres retain the potential to form all lineages. How are cell lineages specified in the absence of a maternally supplied blueprint? This is a fundamental question in the field of developmental biology. The answer to this question lies in understanding the cell-cell interactions and gene networks involved in embryonic development prior to implantation and using this knowledge to create testable models of the developmental processes that govern cell fates. We provide an overview of classic and contemporary models of early lineage development in the mouse and discuss the emerging body of work that highlights similarities and differences between blastocyst development in the mouse and other mammalian species.

  11. Bion and C.G. Jung. How did the container-contained model find its thinker? The fate of a cryptomnesia.

    Science.gov (United States)

    Maier, Christian

    2016-04-01

    This paper investigates the possible impact of C.G. Jung's Tavistock Lectures on Bion's concept of the living container. In the first part of the paper, the author offers clues pointing to such an essential impact, which can be found in text passages as well as in the facts of the Bion-Beckett case, up to and including Bion's first publication of 'The imaginary twin'. The author suggests that cryptomnesia is the result of repression targeting a highly cathected author's communication which functions like a deep interpretation for the recipient, whose new theory then is a return of the repressed content as well as a transformation of it. The second part of the paper investigates the fate of the assumed cryptomnesia. From this point of view Bion's concept of the container in itself appears to be the result of growth in the container-contained mode. Finally the author deals with the question whether cryptomnesia in psychoanalytical literature can frequently be seen as the result of psychic growth.

  12. Kernel model-based diagnosis

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The methods for computing the kemel consistency-based diagnoses and the kernel abductive diagnoses are only suited for the situation where part of the fault behavioral modes of the components are known. The characterization of the kernel model-based diagnosis based on the general causal theory is proposed, which can break through the limitation of the above methods when all behavioral modes of each component are known. Using this method, when observation subsets deduced logically are respectively assigned to the empty or the whole observation set, the kernel consistency-based diagnoses and the kernel abductive diagnoses can deal with all situations. The direct relationship between this diagnostic procedure and the prime implicants/implicates is proved, thus linking theoretical result with implementation.

  13. 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...

  14. Fate factors and emission flux estimates for emerging contaminants in surface waters

    Directory of Open Access Journals (Sweden)

    Hoa T. Trinh

    2016-01-01

    Full Text Available Pharmaceuticals, personal care products, hormones, and wastewater products are emerging environmental concerns for manifold reasons, including the potential of some compounds found in these products for endocrine disruption at a very low chronic exposure level. The environmental occurrences and sources of these contaminants in the water, soil, sediment and biota in European nations and the United States are well documented. This work reports a screening-level emission and fate assessment of thirty compounds, listed in the National Reconnaissance of the United States Geological Survey (USGS, 1999–2000 as the most frequently detected organic wastewater contaminants in U.S. streams and rivers. Estimations of the surface water fate factors were based on Level II and Level III multimedia fugacity models for a 1000 km2 model environment, the size of a typical county in the eastern United States. The compounds are categorized into three groups based upon the sensitivity of their predicted surface water fate factors to uncertainties in their physicochemical property values and the landscape parameters. The environmental fate factors, mass distributions, and loss pathways of all of the compounds are strongly affected by their assumed modes of entry into the environment. It is observed that for thirteen of the thirty organic wastewater contaminants most commonly detected in surface waters, conventional treatment strategies may be ineffective for their removal from wastewater effluents. The surface water fate factors predicted by the fugacity models were used in conjunction with the surface water concentrations measured in the USGS reconnaissance to obtain emission flux estimates for the compounds into U.S. streams and rivers. These include estimated fluxes of 6.8 × 10−5 to 0.30 kg/h km2 for the biomarker coprostanol; 1.7 × 10−5 to 6.5 × 10−5 kg/h km2 for the insect repellent N,N-diethyltoluamide; and 4.3 × 10−6 to 3.1 × 10−5 kg/h km2 for

  15. Model-based tomographic reconstruction

    Science.gov (United States)

    Chambers, David H; Lehman, Sean K; Goodman, Dennis M

    2012-06-26

    A model-based approach to estimating wall positions for a building is developed and tested using simulated data. It borrows two techniques from geophysical inversion problems, layer stripping and stacking, and combines them with a model-based estimation algorithm that minimizes the mean-square error between the predicted signal and the data. The technique is designed to process multiple looks from an ultra wideband radar array. The processed signal is time-gated and each section processed to detect the presence of a wall and estimate its position, thickness, and material parameters. The floor plan of a building is determined by moving the array around the outside of the building. In this paper we describe how the stacking and layer stripping algorithms are combined and show the results from a simple numerical example of three parallel walls.

  16. Concentration Sensing by the Moving Nucleus in Cell Fate Determination: A Computational Analysis.

    Directory of Open Access Journals (Sweden)

    Varun Aggarwal

    Full Text Available During development of the vertebrate neuroepithelium, the nucleus in neural progenitor cells (NPCs moves from the apex toward the base and returns to the apex (called interkinetic nuclear migration at which point the cell divides. The fate of the resulting daughter cells is thought to depend on the sampling by the moving nucleus of a spatial concentration profile of the cytoplasmic Notch intracellular domain (NICD. However, the nucleus executes complex stochastic motions including random waiting and back and forth motions, which can expose the nucleus to randomly varying levels of cytoplasmic NICD. How nuclear position can determine daughter cell fate despite the stochastic nature of nuclear migration is not clear. Here we derived a mathematical model for reaction, diffusion, and nuclear accumulation of NICD in NPCs during interkinetic nuclear migration (INM. Using experimentally measured trajectory-dependent probabilities of nuclear turning, nuclear waiting times and average nuclear speeds in NPCs in the developing zebrafish retina, we performed stochastic simulations to compute the nuclear trajectory-dependent probabilities of NPC differentiation. Comparison with experimentally measured nuclear NICD concentrations and trajectory-dependent probabilities of differentiation allowed estimation of the NICD cytoplasmic gradient. Spatially polarized production of NICD, rapid NICD cytoplasmic consumption and the time-averaging effect of nuclear import/export kinetics are sufficient to explain the experimentally observed differentiation probabilities. Our computational studies lend quantitative support to the feasibility of the nuclear concentration-sensing mechanism for NPC fate determination in zebrafish retina.

  17. Model-Based Security Testing

    Directory of Open Access Journals (Sweden)

    Ina Schieferdecker

    2012-02-01

    Full Text Available Security testing aims at validating software system requirements related to security properties like confidentiality, integrity, authentication, authorization, availability, and non-repudiation. Although security testing techniques are available for many years, there has been little approaches that allow for specification of test cases at a higher level of abstraction, for enabling guidance on test identification and specification as well as for automated test generation. Model-based security testing (MBST is a relatively new field and especially dedicated to the systematic and efficient specification and documentation of security test objectives, security test cases and test suites, as well as to their automated or semi-automated generation. In particular, the combination of security modelling and test generation approaches is still a challenge in research and of high interest for industrial applications. MBST includes e.g. security functional testing, model-based fuzzing, risk- and threat-oriented testing, and the usage of security test patterns. This paper provides a survey on MBST techniques and the related models as well as samples of new methods and tools that are under development in the European ITEA2-project DIAMONDS.

  18. Atmospheric fate of non volatile and ionizable compounds

    DEFF Research Database (Denmark)

    Franco, Antonio; Hauschild, Michael Zwicky; Jolliet, Olivier

    2011-01-01

    A modified version of theMultimedia Activity Model for Ionics MAMI, including two-layered atmosphere,air–water interface partitioning, intermittent rainfall and variable cloud coverage was developed to simulate the atmospheric fate of ten low volatility or ionizable organic chemicals. Probabilist...

  19. GIS-based analysis of the fate of waste-related pathogens Cryptosporidium parvum, Giardia lamblia and Escherichia coli in a tropical canal network.

    Science.gov (United States)

    Diallo, Mamadou B C; Anceno, Alfredo J; Tawatsupa, Benjawan; Tripathi, Nitin K; Wangsuphachart, Voranuch; Shipin, Oleg V

    2009-03-01

    Urban canals play a major socio-economic role in many tropical countries and, particularly, Thailand. One of the overlooked functions that they perform is a significant attenuation of waste-related pathogens posing considerable health risk, as well as pollution attenuation in general. The study dealt with a comparison of three canals receiving: (i) municipal, (ii) mainly industrial and (iii) mainly agricultural wastewater, listed in order of progressively decreasing organic loading. The occurrence and fate of waterborne Cryptosporidium parvum, Giardia lamblia and Escherichia coli were monitored in the canals by both real-time PCR and conventionally for 12 months. The pathogens are etiological agents of an estimated 38% and 47% of diarrhea cases worldwide and in Thailand, respectively. The geographic information system (GIS) was used to evaluate and map point and, particularly, non-point pollution sources which allowed differentiating the canal sections in terms of predominant pathogen sources. The flowthrough canals, which can be viewed as waste stabilization ponds, were found to be efficiently removing the pathogens at the following generalized specific rates: 0.3 (C. parvum), 1.2 (G. lamblia), 1.8 (E. coli) log10/km.d in the dry season. The rates decreased in the rainy season for E. coli and G. lamblia, but increased for C. parvum which indicated different removal mechanisms. Data suggest that E. coli and G. lamblia were mainly removed through sedimentation and sunlight (UV) irradiation, while the likely mechanism for C. parvum was predation. Overall, the specific pathogen removal rates positively correlated with the canal organic loading rates in the rainy season. As an important result, an estimate of the municipal pollution mitigation by over 2280 km canals in the Greater Bangkok suggests that concomitant to the pathogens at least 36-95 tons of BOD5 is being removed daily, thereby saving the receiving Chao Phraya River and Bight of Bangkok, by far exceeding

  20. Fate of Silver Nanoparticles in Lake Mesocosms

    Science.gov (United States)

    Furtado, Lindsay

    The fate of silver nanoparticles (AgNPs) in surface waters determines the ecological risk of this emerging contaminant. In this research, the fate of AgNPs in lake mesocosms was studied using both a continuous (i.e. drip) and one-time (i.e. plug) dosing regime. AgNPs were persistent in the tested lake environment as there was accumulation in the water column over time in drip mesocosms and slow dissipation from the water column (half life of 20 days) in plug mesocosms. In drip mesocosms, AgNPs were found to accumulate in the water column, periphtyon, and sediment according to loading rate; and, AgNP coating (PVP vs. CT) had no effect on agglomeration and dissolution based on filtration analysis. In plug mesocosms, cloud point extraction (CPE), single-particle-inductively coupled mass spectroscopy (spICP-MS), and asymmetrical flow field-flow fractionation (AF4-ICP-MS) confirmed the temporal dissolution of AgNPs into Ag+ over time; however, complexation is expected to reduce the toxicity of Ag + in natural waters.

  1. Modeling the Impact of Cracking in Low Permeability Layers in a Groundwater Contamination Source Zone on Dissolved Contaminant Fate and Transport

    Science.gov (United States)

    Sievers, K. W.; Goltz, M. N.; Huang, J.; Demond, A. H.

    2011-12-01

    Dense Non-Aqueous Phase Liquids (DNAPLs), which are chemicals and chemical mixtures that are heavier than and only slightly soluble in water, are a significant source of groundwater contamination. Even with the removal or destruction of most DNAPL mass, small amounts of remaining DNAPL can dissolve into flowing groundwater and continue as a contamination source for decades. One category of DNAPLs is the chlorinated aliphatic hydrocarbons (CAHs). CAHs, such as trichloroethylene and carbon tetrachloride, are found to contaminate groundwater at numerous DoD and industrial sites. DNAPLs move through soils and groundwater leaving behind residual separate phase contamination as well as pools sitting atop low permeability layers. Recently developed models are based on the assumption that dissolved CAHs diffuse slowly from pooled DNAPL into the low permeability layers. Subsequently, when the DNAPL pools and residual DNAPL are depleted, perhaps as a result of a remediation effort, the dissolved CAHs in these low permeability layers still remain to serve as long-term sources of contamination, due to so-called "back diffusion." These recently developed models assume that transport in the low permeability zones is strictly diffusive; however field observations suggest that more DNAPL and/or dissolved CAH is stored in the low permeability zones than can be explained on the basis of diffusion alone. One explanation for these field observations is that there is enhanced transport of dissolved CAHs and/or DNAPL into the low permeability layers due to cracking. Cracks may allow for advective flow of water contaminated with dissolved CAHs into the layer as well as possible movement of pure phase DNAPL into the layer. In this study, a multiphase numerical flow and transport model is employed in a dual domain (high and low permeability layers) to investigate the impact of cracking on DNAPL and CAH movement. Using literature values, the crack geometry and spacing was varied to model

  2. Crowdsourcing Based 3d Modeling

    Science.gov (United States)

    Somogyi, A.; Barsi, A.; Molnar, B.; Lovas, T.

    2016-06-01

    Web-based photo albums that support organizing and viewing the users' images are widely used. These services provide a convenient solution for storing, editing and sharing images. In many cases, the users attach geotags to the images in order to enable using them e.g. in location based applications on social networks. Our paper discusses a procedure that collects open access images from a site frequently visited by tourists. Geotagged pictures showing the image of a sight or tourist attraction are selected and processed in photogrammetric processing software that produces the 3D model of the captured object. For the particular investigation we selected three attractions in Budapest. To assess the geometrical accuracy, we used laser scanner and DSLR as well as smart phone photography to derive reference values to enable verifying the spatial model obtained from the web-album images. The investigation shows how detailed and accurate models could be derived applying photogrammetric processing software, simply by using images of the community, without visiting the site.

  3. An Agent Based Classification Model

    CERN Document Server

    Gu, Feng; Greensmith, Julie

    2009-01-01

    The major function of this model is to access the UCI Wisconsin Breast Can- cer data-set[1] and classify the data items into two categories, which are normal and anomalous. This kind of classifi cation can be referred as anomaly detection, which discriminates anomalous behaviour from normal behaviour in computer systems. One popular solution for anomaly detection is Artifi cial Immune Sys- tems (AIS). AIS are adaptive systems inspired by theoretical immunology and observed immune functions, principles and models which are applied to prob- lem solving. The Dendritic Cell Algorithm (DCA)[2] is an AIS algorithm that is developed specifi cally for anomaly detection. It has been successfully applied to intrusion detection in computer security. It is believed that agent-based mod- elling is an ideal approach for implementing AIS, as intelligent agents could be the perfect representations of immune entities in AIS. This model evaluates the feasibility of re-implementing the DCA in an agent-based simulation environ- ...

  4. Boolean modeling: a logic-based dynamic approach for understanding signaling and regulatory networks and for making useful predictions.

    Science.gov (United States)

    Albert, Réka; Thakar, Juilee

    2014-01-01

    The biomolecules inside or near cells form a complex interacting system. Cellular phenotypes and behaviors arise from the totality of interactions among the components of this system. A fruitful way of modeling interacting biomolecular systems is by network-based dynamic models that characterize each component by a state variable, and describe the change in the state variables due to the interactions in the system. Dynamic models can capture the stable state patterns of this interacting system and can connect them to different cell fates or behaviors. A Boolean or logic model characterizes each biomolecule by a binary state variable that relates the abundance of that molecule to a threshold abundance necessary for downstream processes. The regulation of this state variable is described in a parameter free manner, making Boolean modeling a practical choice for systems whose kinetic parameters have not been determined. Boolean models integrate the body of knowledge regarding the components and interactions of biomolecular systems, and capture the system's dynamic repertoire, for example the existence of multiple cell fates. These models were used for a variety of systems and led to important insights and predictions. Boolean models serve as an efficient exploratory model, a guide for follow-up experiments, and as a foundation for more quantitative models.

  5. 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

  6. Research on BOM based composable modeling method

    NARCIS (Netherlands)

    Zhang, M.; He, Q.; Gong, J.

    2013-01-01

    Composable modeling method has been a research hotpot in the area of Modeling and Simulation for a long time. In order to increase the reuse and interoperability of BOM based model, this paper put forward a composable modeling method based on BOM, studied on the basic theory of composable modeling m

  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. Intelligent model-based OPC

    Science.gov (United States)

    Huang, W. C.; Lai, C. M.; Luo, B.; Tsai, C. K.; Chih, M. H.; Lai, C. W.; Kuo, C. C.; Liu, R. G.; Lin, H. T.

    2006-03-01

    Optical proximity correction is the technique of pre-distorting mask layouts so that the printed patterns are as close to the desired shapes as possible. For model-based optical proximity correction, a lithographic model to predict the edge position (contour) of patterns on the wafer after lithographic processing is needed. Generally, segmentation of edges is performed prior to the correction. Pattern edges are dissected into several small segments with corresponding target points. During the correction, the edges are moved back and forth from the initial drawn position, assisted by the lithographic model, to finally settle on the proper positions. When the correction converges, the intensity predicted by the model in every target points hits the model-specific threshold value. Several iterations are required to achieve the convergence and the computation time increases with the increase of the required iterations. An artificial neural network is an information-processing paradigm inspired by biological nervous systems, such as how the brain processes information. It is composed of a large number of highly interconnected processing elements (neurons) working in unison to solve specific problems. A neural network can be a powerful data-modeling tool that is able to capture and represent complex input/output relationships. The network can accurately predict the behavior of a system via the learning procedure. A radial basis function network, a variant of artificial neural network, is an efficient function approximator. In this paper, a radial basis function network was used to build a mapping from the segment characteristics to the edge shift from the drawn position. This network can provide a good initial guess for each segment that OPC has carried out. The good initial guess reduces the required iterations. Consequently, cycle time can be shortened effectively. The optimization of the radial basis function network for this system was practiced by genetic algorithm

  9. The Fated Death of Tess

    Institute of Scientific and Technical Information of China (English)

    李莉

    2012-01-01

      The theme of this essay is about the fated deaths of Tess.The emphasis is‘inevitability’. Tess’s Death is mainly due to the social influence and man-made factors. Because of the low social status and moral conceptions, there is no living room left for Tess. Her parents push her get closer to her tragedy as well. Alec and Angel are the two persons who directly and indirectly cause Tess’s death. In addition, there are also some subjective causes for her doom. The symbolic red in the novel intentionally indicates the’inevitability’of her death.

  10. Optimal pricing decision model based on activity-based costing

    Institute of Scientific and Technical Information of China (English)

    王福胜; 常庆芳

    2003-01-01

    In order to find out the applicability of the optimal pricing decision model based on conventional costbehavior model after activity-based costing has given strong shock to the conventional cost behavior model andits assumptions, detailed analyses have been made using the activity-based cost behavior and cost-volume-profitanalysis model, and it is concluded from these analyses that the theory behind the construction of optimal pri-cing decision model is still tenable under activity-based costing, but the conventional optimal pricing decisionmodel must be modified as appropriate to the activity-based costing based cost behavior model and cost-volume-profit analysis model, and an optimal pricing decision model is really a product pricing decision model construc-ted by following the economic principle of maximizing profit.

  11. The Fate of Non-Volatile Organic Chemicals in The Agricultural Environment

    Directory of Open Access Journals (Sweden)

    Mohammad A. Batiha

    2007-01-01

    Full Text Available Multimedia dynamic model of the fate of non-volatile organic chemicals (NVOC in the agricultural environment is described. The modeled environment, consisting of up to three major surfaces environmental compartments, includes air, agricultural soil, and surface water. This model is based on the aquivalence approach suggested by Mackay and co-workers in 1989. As the movement of chemicals in the environment is closely associated with the movement of air, water and organic matter, the complete steady state mass budgets for air, water and particulate organic carbon (POC between the model compartments are described. All of the model equations, which are expressed in aquivalence notation, the mass balance for NVOC in the environmental surfaces compartments at dynamic state, and equations for the calculation of partitioning, overall persistence, total amount, total concentrations at dynamic state and intermedia fluxes of organic chemicals between air, water, and soil at steady-state are provided.

  12. Differential geometry based multiscale models.

    Science.gov (United States)

    Wei, Guo-Wei

    2010-08-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atomistic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier-Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson-Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson-Nernst-Planck equations that are

  13. E-FAST-Exposure and Fate Assessment Screening Tool Version 2014

    Science.gov (United States)

    E-FAST estimates potential exposures to the general population and surface water concentrations based on releases from industrial operations and basic physical-chemical properties and fate parameters of the substance

  14. Linking carbon and iron cycles by investigating transport, fate and mineralogy of iron-bearing colloids from peat-draining rivers - Scotland as model for high-latitude rivers

    Science.gov (United States)

    Wood, Deborah; Crocket, Kirsty; Brand, Tim; Stutter, Marc; Wilson, Clare; Schröder, Christian

    2016-04-01

    Linking carbon and iron cycles by investigating transport, fate and mineralogy of iron-bearing colloids from peat-draining rivers - Scotland as model for high-latitude rivers Wood, D.A¹, Crocket, K², Brand, T², Stutter, M³, Wilson, C¹ & Schröder, C¹ ¹Biological and Environmental Sciences, University of Stirling, Stirling, FK9 4LA ²Scottish Association for Marine Science, University of the Highlands and Islands, Dunbeg, Oban, PA37 1QA ³James Hutton Institute, Craigiebuckler, Aberdeen, AB15 8QH The biogeochemical iron cycle exerts significant control on the carbon cycle¹. Iron is a limiting nutrient in large areas of the world's oceans and its bioavailability controls CO2 uptake by marine photosynthesizing microorganisms. While atmospheric iron inputs to the open ocean have been extensively measured, global river inputs have likely been underestimated because most major world rivers exhibit extensive iron removal by flocculation and sedimentation during seawater mixing. Iron minerals and organic matter mutually stabilise each other², which results in a 'rusty carbon sink' in sediments³ on the one hand but may also enhance transport beyond the salinity gradient on the other. Humic-rich, high latitude rivers have a higher iron-carrying capacity⁴-⁶ but are underrepresented in iron flux calculations. The West Coast sea lochs in Scotland are fed by predominantly peatland drainage catchments, and the rivers entering the sea lochs carry a high load of organic matter. The short distance between many of these catchments and the coastal ocean facilitates source-to-sea research investigating transport, fate and mineralogy of iron-bearing colloids providing a good analogue for similar high latitude fjordic systems. We use SeaFAST+ICP-MS and Mössbauer spectroscopy to survey trace metal concentrations, with emphasis on iron concentrations, speciation and mineralogy, across salinity gradients. In combination with ultra-filtration techniques, this allows

  15. 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....

  16. Developing Empirically Based Models of Practice.

    Science.gov (United States)

    Blythe, Betty J.; Briar, Scott

    1985-01-01

    Over the last decade emphasis has shifted from theoretically based models of practice to empirically based models whose elements are derived from clinical research. These models are defined and a developing model of practice through the use of single-case methodology is examined. Potential impediments to this new role are identified. (Author/BL)

  17. Guide to APA-Based Models

    Science.gov (United States)

    Robins, Robert E.; Delisi, Donald P.

    2008-01-01

    In Robins and Delisi (2008), a linear decay model, a new IGE model by Sarpkaya (2006), and a series of APA-Based models were scored using data from three airports. This report is a guide to the APA-based models.

  18. Proceedings Tenth Workshop on Model Based Testing

    OpenAIRE

    Pakulin, Nikolay; Petrenko, Alexander K.; Schlingloff, Bernd-Holger

    2015-01-01

    The workshop is devoted to model-based testing of both software and hardware. Model-based testing uses models describing the required behavior of the system under consideration to guide such efforts as test selection and test results evaluation. Testing validates the real system behavior against models and checks that the implementation conforms to them, but is capable also to find errors in the models themselves. The intent of this workshop is to bring together researchers and users of model...

  19. 14th congress of combustion by-products and their health effects-origin, fate, and health effects of combustion-related air pollutants in the coming era of bio-based energy sources.

    Science.gov (United States)

    Weidemann, Eva; Andersson, Patrik L; Bidleman, Terry; Boman, Christoffer; Carlin, Danielle J; Collina, Elena; Cormier, Stephania A; Gouveia-Figueira, Sandra C; Gullett, Brian K; Johansson, Christer; Lucas, Donald; Lundin, Lisa; Lundstedt, Staffan; Marklund, Stellan; Nording, Malin L; Ortuño, Nuria; Sallam, Asmaa A; Schmidt, Florian M; Jansson, Stina

    2016-04-01

    The 14th International Congress on Combustion By-Products and Their Health Effects was held in Umeå, Sweden from June 14th to 17th, 2015. The Congress, mainly sponsored by the National Institute of Environmental Health Sciences Superfund Research Program and the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning, focused on the "Origin, fate and health effects of combustion-related air pollutants in the coming era of bio-based energy sources". The international delegates included academic and government researchers, engineers, scientists, policymakers and representatives of industrial partners. The Congress provided a unique forum for the discussion of scientific advances in this research area since it addressed in combination the health-related issues and the environmental implications of combustion by-products. The scientific outcomes of the Congress included the consensus opinions that: (a) there is a correlation between human exposure to particulate matter and increased cardiac and respiratory morbidity and mortality; (b) because currently available data does not support the assessment of differences in health outcomes between biomass smoke and other particulates in outdoor air, the potential human health and environmental impacts of emerging air-pollution sources must be addressed. Assessment will require the development of new approaches to characterize combustion emissions through advanced sampling and analytical methods. The Congress also concluded the need for better and more sustainable e-waste management and improved policies, usage and disposal methods for materials containing flame retardants.

  20. Product Modelling for Model-Based Maintenance

    NARCIS (Netherlands)

    Houten, van F.J.A.M.; Tomiyama, T.; Salomons, O.W.

    1998-01-01

    The paper describes the fundamental concepts of maintenance and the role that information technology can play in the support of maintenance activities. Function-Behaviour-State modelling is used to describe faults and deterioration of mechanisms in terms of user perception and measurable quantities.

  1. Observation-Based Modeling for Model-Based Testing

    NARCIS (Netherlands)

    Kanstrén, T.; Piel, E.; Gross, H.-G.

    2009-01-01

    One of the single most important reasons that modeling and modelbased testing are not yet common practice in industry is the perceived difficulty of making the models up to the level of detail and quality required for their automated processing. Models unleash their full potential only through suffi

  2. Observation-Based Modeling for Model-Based Testing

    NARCIS (Netherlands)

    Kanstrén, T.; Piel, E.; Gross, H.-G.

    2009-01-01

    One of the single most important reasons that modeling and modelbased testing are not yet common practice in industry is the perceived difficulty of making the models up to the level of detail and quality required for their automated processing. Models unleash their full potential only through

  3. Return of feature-based cost modeling

    Science.gov (United States)

    Creese, Robert C.; Patrawala, Taher B.

    1998-10-01

    Feature Based Cost Modeling is thought of as a relative new approach to cost modeling, but feature based cost modeling had considerable development in the 1950's. Considerable work was published in the 1950's by Boeing on cost for various casting processes--sand casting, die casting, investment casting and permanent mold casting--as a function of a single casting feature, casting volume. Additional approaches to feature based cost modeling have been made, and this work is a review of previous works and a proposed integrated model to feature based cost modeling.

  4. gis-based hydrological model based hydrological model upstream ...

    African Journals Online (AJOL)

    eobe

    Metrological Agency (NIMET) and Jebba Hydroelectric ... cycle by SWAT is based on the water balance equation: = + (. − ... The estimation of the base flow is done using Equation. 5. = . ( ..... Acetic Acid”, Nigerian Journal of Tecnology, Vol. 32,.

  5. The Fate of Neutron Star Binary Mergers

    Science.gov (United States)

    Piro, Anthony L.; Giacomazzo, Bruno; Perna, Rosalba

    2017-08-01

    Following merger, a neutron star (NS) binary can produce roughly one of three different outcomes: (1) a stable NS, (2) a black hole (BH), or (3) a supramassive, rotationally supported NS, which then collapses to a BH following angular momentum losses. Which of these fates occur and in what proportion has important implications for the electromagnetic transient associated with the mergers and the expected gravitational wave (GW) signatures, which in turn depend on the high density equation of state (EOS). Here we combine relativistic calculations of NS masses using realistic EOSs with Monte Carlo population synthesis based on the mass distribution of NS binaries in our Galaxy to predict the distribution of fates expected. For many EOSs, a significant fraction of the remnants are NSs or supramassive NSs. This lends support to scenarios in which a quickly spinning, highly magnetized NS may be powering an electromagnetic transient. This also indicates that it will be important for future GW observatories to focus on high frequencies to study the post-merger GW emission. Even in cases where individual GW events are too low in signal to noise to study the post merger signature in detail, the statistics of how many mergers produce NSs versus BHs can be compared with our work to constrain the EOS. To match short gamma-ray-burst (SGRB) X-ray afterglow statistics, we find that the stiffest EOSs are ruled out. Furthermore, many popular EOSs require a significant fraction of ˜60%-70% of SGRBs to be from NS-BH mergers rather than just binary NSs.

  6. Assessment of nitrate pollution in the Grand Morin aquifers (France): Combined use of geostatistics and physically based modeling

    Energy Technology Data Exchange (ETDEWEB)

    Flipo, Nicolas [Centre de Geosciences, UMR Sisyphe, ENSMP, 35 rue Saint-Honore, F-77305 Fontainebleau (France)]. E-mail: nicolas.flipo@ensmp.fr; Jeannee, Nicolas [Geovariances, 49 bis, avenue Franklin Roosevelt, F-77212 Avon (France); Poulin, Michel [Centre de Geosciences, UMR Sisyphe, ENSMP, 35 rue Saint-Honore, F-77305 Fontainebleau (France); Even, Stephanie [Centre de Geosciences, UMR Sisyphe, ENSMP, 35 rue Saint-Honore, F-77305 Fontainebleau (France); Ledoux, Emmanuel [Centre de Geosciences, UMR Sisyphe, ENSMP, 35 rue Saint-Honore, F-77305 Fontainebleau (France)

    2007-03-15

    The objective of this work is to combine several approaches to better understand nitrate fate in the Grand Morin aquifers (2700 km{sup 2}), part of the Seine basin. CAWAQS results from the coupling of the hydrogeological model NEWSAM with the hydrodynamic and biogeochemical model of river PROSE. CAWAQS is coupled with the agronomic model STICS in order to simulate nitrate migration in basins. First, kriging provides a satisfactory representation of aquifer nitrate contamination from local observations, to set initial conditions for the physically based model. Then associated confidence intervals, derived from data using geostatistics, are used to validate CAWAQS results. Results and evaluation obtained from the combination of these approaches are given (period 1977-1988). Then CAWAQS is used to simulate nitrate fate for a 20-year period (1977-1996). The mean nitrate concentrations increase in aquifers is 0.09 mgN L{sup -1} yr{sup -1}, resulting from an average infiltration flux of 3500 kgN.km{sup -2} yr{sup -1}. - Combined use of geostatistics and physically based modeling allows assessment of nitrate concentrations in aquifer systems.

  7. Fate of inflation and the natural reduction of vacuum energy

    Directory of Open Access Journals (Sweden)

    Nakamichi Akika

    2014-04-01

    Full Text Available In the standard cosmology, an artificial fine tuning of the potential is inevitable for vanishing cosmological constant, though slow-rolling uniform scalar field easily causes cosmic inflation. We focus on the general fact that any potential with negative region can temporally halt the cosmic expansion at the end of inflation, where the field tends to diverge. This violent evolution naturally causes particle production and strong instability of the uniform configuration of the fields. Decaying of this uniform scalar field would leave vanishing cosmological constant as well as locally collapsed objects. The universe then continues to evolve into the standard Freedman model. We study the detail of the instability, based on the linear analysis, and the subsequent fate of the scalar field, based on the non-linear numerical analysis. The collapsed scalar field would easily exceed the Kaup limiting mass and forms primordial black holes, which may play an important role in galaxy formation in later stages of cosmic expansion. We systematically describe the above scenario by identifying the scalar field as the boson field condensation (BEC and the inflation as the process of phase transition of them.

  8. Extensions in model-based system analysis

    OpenAIRE

    Graham, Matthew R.

    2007-01-01

    Model-based system analysis techniques provide a means for determining desired system performance prior to actual implementation. In addition to specifying desired performance, model-based analysis techniques require mathematical descriptions that characterize relevant behavior of the system. The developments of this dissertation give ex. tended formulations for control- relevant model estimation as well as model-based analysis conditions for performance requirements specified as frequency do...

  9. Trace-Based Code Generation for Model-Based Testing

    NARCIS (Netherlands)

    Kanstrén, T.; Piel, E.; Gross, H.-G.

    2009-01-01

    Paper Submitted for review at the Eighth International Conference on Generative Programming and Component Engineering. Model-based testing can be a powerful means to generate test cases for the system under test. However, creating a useful model for model-based testing requires expertise in the (fo

  10. Trace-Based Code Generation for Model-Based Testing

    NARCIS (Netherlands)

    Kanstrén, T.; Piel, E.; Gross, H.-G.

    2009-01-01

    Paper Submitted for review at the Eighth International Conference on Generative Programming and Component Engineering. Model-based testing can be a powerful means to generate test cases for the system under test. However, creating a useful model for model-based testing requires expertise in the

  11. Fate and transport of furrow-applied granular tefluthrin and seed-coated clothianidin insecticides: Comparison of field-scale observations and model estimates.

    Science.gov (United States)

    Huff Hartz, Kara E; Edwards, Tracye M; Lydy, Michael J

    2017-05-30

    The transport of agricultural insecticides to water bodies may create risk of exposure to non-target organisms. Similarly, widespread use of furrow-applied and seed-coated insecticides may increase risk of exposure, yet accessible exposure models are not easily adapted for furrow application, and only a few examples of model validation of furrow-applied insecticides exist using actual field data. The goal of the current project was to apply an exposure model, the Pesticide in Water Calculator (PWC), to estimate the concentrations of two in-furrow insecticides applied to maize: the granular pyrethroid, tefluthrin, and the seed-coated neonicotinoid, clothianidin. The concentrations of tefluthrin and clothianidin in surface runoff water, sampled from a field in central Illinois (USA), were compared to the PWC modeled pesticide concentrations in surface runoff. The tefluthrin concentrations were used to optimize the application method in the PWC, and the addition of particulate matter and guttation droplets improved the models prediction of clothianidin concentrations. Next, the tefluthrin and clothianidin concentrations were calculated for a standard farm pond using both the optimized application method and the application methods provided in PWC. Estimated concentrations in a standard farm pond varied by a factor of 100 for tefluthrin and 50 for clothianidin depending on the application method used. The addition of guttation droplets and particulate matter to the model increased the annual clothianidin concentration in a standard farm pond by a factor of 1.5, which suggested that these transport routes should also be considered when assessing neonicotinoid exposure.

  12. Comparison of three pesticide fate models with respect to the leaching of two herbicides under field conditions in an irrigated maize cropping system.

    Science.gov (United States)

    Marín-Benito, J M; Pot, V; Alletto, L; Mamy, L; Bedos, C; Barriuso, E; Benoit, P

    2014-11-15

    The ability of three models (PEARL, MACRO and PRZM) to describe the water transfer and leaching of the herbicides S-metolachlor and mesotrione as observed in an irrigated maize monoculture system in Toulouse area (France) was compared. The models were parameterized with field, laboratory and literature data, and pedotransfer functions using equivalent parameterization to better compare the results and the performance of the models. The models were evaluated and compared from soil water pressure, water content and temperature data monitored at 0.2, 0.5 and 1 m depth, together with water percolates and herbicide concentrations measured in a tension plate lysimeter at 1 m depth. Some hydraulic (n, θ(s)) parameters and mesotrione DT50 needed calibration. After calibration, 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. On the contrary, PEARL and MACRO simulated generally quite well the observed water pressure head and volumetric water content at the three different depths during wetting periods (e.g. irrigated cropping period) while a poorest performance was obtained for drying periods (fallow period with bare soil and beginning of crop period). Similar water flow dynamics were simulated by PEARL and MACRO in the soil profile although in general, and due to a higher evapotranspiration in MACRO, PEARL simulated a wetter soil than MACRO. For the whole simulated period, the performance of all models to simulate water leaching at 1m depth was poor, with an overestimation of the total water volume measured in the lysimeter (ranging from 2.2 to 6.6 times). By contrast, soil temperature was properly reproduced by the three models. The models were able to simulate the leaching of herbicides at 1m depth in similar appearance time and order of magnitude as field observations. Cumulative observed and simulated mesotrione losses by leaching were consistently higher than the

  13. Simulated model of the fate and transfer for PAHs in the multimedia environment for a onshore oilfield%陆地石油开采区PAHs环境多介质分布及迁移转化模拟

    Institute of Scientific and Technical Information of China (English)

    李兴春; 胡艳; 杜显元; 刘建林; 李鱼

    2011-01-01

    The present paper is aimed to introduce a simulated model of the fate and transfer for PAHs in the multimedia environment for an inland oilfield. For this purpose, we have built up a level-Ⅲ fugacity model so as to determine the fate and the transfer regularity of the 16 kinds of priority-controlled polycyclic aromatic hydrocarbon (PAHs) of the different bulk compartments in an onshore oilfield, China. The above-said fugacity model consists actually of air (pure air and partic-ulates), water (pure water and suspended solids), soil (air, water and solids), and sediment (water and solids) in its four compartments , in which the following processes are supposed to take place, including oil spill on the clean soil, the discharge and volatilization of oil-contained sewage and waste gas, advection inflow and outflow in the air/water bulk from the nearby area and the study area, in addition to the exchanges between the inter-compartment and the degradation . To test the validity and the reliability of the fugacity model, we have applied the method of average residual errors analysis consisting of 1.12, 1.35, 1.41, and 1.39 logarithmic units between the measured and the predicted values for the four bulks, respectively, which reveals that the concentrations estimated of PAHs in the air, water, soil, and sediment compartments are well in accord with the values observed. It can thus be predicted that PAHs with lower molecular weight are easily to get soluble in the water, which is just opposite in sediment. However, the concentrations of the 16 PAHs in the air bulk is lower than the ones in the other three compartments. Thus, it can be predicted that the longest residue time of the 16 PAHs in the multimedia environment were BaP and PYR, which are equal to 2.63 years and 1.89 years, respectively. Whereas the soil compartment is identified as the main sink of PAHs, of all the varieties of pathways, the main silk of 16 PAHs in the study area and the source emission in the

  14. Investigation of Coastal CDOM Distributions Using In-Situ and Remote Sensing Observations and a Predictive CDOM Fate and Transport Model

    Science.gov (United States)

    2009-01-01

    Waters and Harbor Approaches: The desing and automation of NYHOPS. 3rd International Conference on Experiments / Process / System Modelling / Simulation...concentrations were found to photodegrade or biodegrade by 30% in incubation experiments (Chen et al 2006). At the same time, an ONR-funded dynamic

  15. Division of Labor: ER-Resident BiP Co-Chaperones Match Substrates to Fates Based on Specific Binding Sequences.

    Science.gov (United States)

    Hebert, Daniel N; Clerico, Eugenia M; Gierasch, Lila M

    2016-09-01

    In this issue of Molecular Cell, Behnke et al. (2016) describe a novel cell-based peptide-binding assay and use it to analyze the binding specificities of the endoplasmic reticulum Hsp70 chaperone and its co-chaperones and to probe their different roles in protein quality control.

  16. Fate of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX) on soil following accelerant-based fire and liquid decontamination.

    Science.gov (United States)

    Gravett, M R; Hopkins, F B; Self, A J; Webb, A J; Timperley, C M; Riches, J R

    2014-08-01

    In the event of alleged use of organophosphorus nerve agents, all kinds of environmental samples can be received for analysis. These might include decontaminated and charred matter collected from the site of a suspected chemical attack. In other scenarios, such matter might be sampled to confirm the site of a chemical weapon test or clandestine laboratory decontaminated and burned to prevent discovery. To provide an analytical capability for these contingencies, we present a preliminary investigation of the effect of accelerant-based fire and liquid decontamination on soil contaminated with the nerve agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX). The objectives were (a) to determine if VX or its degradation products were detectable in soil after an accelerant-based fire promoted by aviation fuel, including following decontamination with Decontamination Solution 2 (DS2) or aqueous sodium hypochlorite, (b) to develop analytical methods to support forensic analysis of accelerant-soaked, decontaminated and charred soil and (c) to inform the design of future experiments of this type to improve analytical fidelity. Our results show for the first time that modern analytical techniques can be used to identify residual VX and its degradation products in contaminated soil after an accelerant-based fire and after chemical decontamination and then fire. Comparison of the gas chromatography-mass spectrometry (GC-MS) profiles of VX and its impurities/degradation products from contaminated burnt soil, and burnt soil spiked with VX, indicated that the fire resulted in the production of diethyl methylphosphonate and O,S-diethyl methylphosphonothiolate (by an unknown mechanism). Other products identified were indicative of chemical decontamination, and some of these provided evidence of the decontaminant used, for example, ethyl 2-methoxyethyl methylphosphonate and bis(2-methoxyethyl) methylphosphonate following decontamination with DS2. Sample preparation

  17. Multicongenic fate mapping quantification of dynamics of thymus colonization

    OpenAIRE

    Ziętara, Natalia; Łyszkiewicz, Marcin; Puchałka, Jacek; Witzlau, Katrin; Reinhardt, Annika; Förster, Reinhold; Pabst, Oliver; Prinz, Immo; Krueger, Andreas

    2015-01-01

    Postnatal T cell development depends on continuous colonization of the thymus by BM-derived T lineage progenitors. Both quantitative parameters and the mechanisms of thymus seeding remain poorly understood. Here, we determined the number of dedicated thymus-seeding progenitor niches (TSPNs) capable of supporting productive T cell development, turnover rates of niche occupancy, and feedback mechanisms. To this end, we established multicongenic fate mapping combined with mathematical modeling t...

  18. Electrical Compact Modeling of Graphene Base Transistors

    Directory of Open Access Journals (Sweden)

    Sébastien Frégonèse

    2015-11-01

    Full Text Available Following the recent development of the Graphene Base Transistor (GBT, a new electrical compact model for GBT devices is proposed. The transistor model includes the quantum capacitance model to obtain a self-consistent base potential. It also uses a versatile transfer current equation to be compatible with the different possible GBT configurations and it account for high injection conditions thanks to a transit time based charge model. Finally, the developed large signal model has been implemented in Verilog-A code and can be used for simulation in a standard circuit design environment such as Cadence or ADS. This model has been verified using advanced numerical simulation.

  19. Hierarchical Geometric Constraint Model for Parametric Feature Based Modeling

    Institute of Scientific and Technical Information of China (English)

    高曙明; 彭群生

    1997-01-01

    A new geometric constraint model is described,which is hierarchical and suitable for parametric feature based modeling.In this model,different levels of geometric information are repesented to support various stages of a design process.An efficient approach to parametric feature based modeling is also presented,adopting the high level geometric constraint model.The low level geometric model such as B-reps can be derived automatically from the hig level geometric constraint model,enabling designers to perform their task of detailed design.

  20. The Culture Based Model: Constructing a Model of Culture

    Science.gov (United States)

    Young, Patricia A.

    2008-01-01

    Recent trends reveal that models of culture aid in mapping the design and analysis of information and communication technologies. Therefore, models of culture are powerful tools to guide the building of instructional products and services. This research examines the construction of the culture based model (CBM), a model of culture that evolved…

  1. Evolution and fate of very massive stars

    CERN Document Server

    Yusof, Norhasliza; Meynet, Georges; Crowther, Paul A; Ekstrom, Sylvia; Frischknecht, Urs; Georgy, Cyril; Kassim, Hasan Abu; Schnurr, Olivier; 10.1093/mnras/stt794

    2013-01-01

    There is observational evidence that supports the existence of Very Massive Stars in the local universe. First, very massive stars (Mini<=320 M) have been observed in the Large Magellanic Cloud . Second, there are observed SNe that bear the characteristics of Pair Creation Supernovae which have very massive stars as progenitors. The most promising candidate to date is SN2007bi. In order to investigate the evolution and fate of nearby very massive stars, we calculated a new grid of models for such objects, for solar, LMC and SMC metallicities, which covers the initial mass range from 120 to 500M. Both rotating and non-rotating models were calculated using the Geneva stellar evolution code and evolved until at least the end of helium burning and for most models until oxygen burning. Since very massive stars have very large convective cores during the Main-Sequence phase, their evolution is not so much affected by rotational mixing, but more by mass loss through stellar winds. Their evolution is never far fro...

  2. 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

  3. Improving Agent Based Modeling of Critical Incidents

    Directory of Open Access Journals (Sweden)

    Robert Till

    2010-04-01

    Full Text Available Agent Based Modeling (ABM is a powerful method that has been used to simulate potential critical incidents in the infrastructure and built environments. This paper will discuss the modeling of some critical incidents currently simulated using ABM and how they may be expanded and improved by using better physiological modeling, psychological modeling, modeling the actions of interveners, introducing Geographic Information Systems (GIS and open source models.

  4. Atmospheric fate and transport of fine volcanic ash: Does particle shape matter?

    Science.gov (United States)

    White, C. M.; Allard, M. P.; Klewicki, J.; Proussevitch, A. A.; Mulukutla, G.; Genareau, K.; Sahagian, D. L.

    2013-12-01

    Volcanic ash presents hazards to infrastructure, agriculture, and human and animal health. In particular, given the economic importance of intercontinental aviation, understanding how long ash is suspended in the atmosphere, and how far it is transported has taken on greater importance. Airborne ash abrades the exteriors of aircraft, enters modern jet engines and melts while coating interior engine parts causing damage and potential failure. The time fine ash stays in the atmosphere depends on its terminal velocity. Existing models of ash terminal velocities are based on smooth, quasi-spherical particles characterized by Stokes velocity. Ash particles, however, violate the various assumptions upon which Stokes flow and associated models are based. Ash particles are non-spherical and can have complex surface and internal structure. This suggests that particle shape may be one reason that models fail to accurately predict removal rates of fine particles from volcanic ash clouds. The present research seeks to better parameterize predictive models for ash particle terminal velocities, diffusivity, and dispersion in the atmospheric boundary layer. The fundamental hypothesis being tested is that particle shape irreducibly impacts the fate and transport properties of fine volcanic ash. Pilot studies, incorporating modeling and experiments, are being conducted to test this hypothesis. Specifically, a statistical model has been developed that can account for actual volcanic ash size distributions, complex ash particle geometry, and geometry variability. Experimental results are used to systematically validate and improve the model. The experiments are being conducted at the Flow Physics Facility (FPF) at UNH. Terminal velocities and dispersion properties of fine ash are characterized using still air drop experiments in an unconstrained open space using a homogenized mix of source particles. Dispersion and sedimentation dynamics are quantified using particle image

  5. Testing Strategies for Model-Based Development

    Science.gov (United States)

    Heimdahl, Mats P. E.; Whalen, Mike; Rajan, Ajitha; Miller, Steven P.

    2006-01-01

    This report presents an approach for testing artifacts generated in a model-based development process. This approach divides the traditional testing process into two parts: requirements-based testing (validation testing) which determines whether the model implements the high-level requirements and model-based testing (conformance testing) which determines whether the code generated from a model is behaviorally equivalent to the model. The goals of the two processes differ significantly and this report explores suitable testing metrics and automation strategies for each. To support requirements-based testing, we define novel objective requirements coverage metrics similar to existing specification and code coverage metrics. For model-based testing, we briefly describe automation strategies and examine the fault-finding capability of different structural coverage metrics using tests automatically generated from the model.

  6. Model-Based Enterprise Summit Report

    Science.gov (United States)

    2014-02-01

    Models Become Much More Efficient and Effective When Coupled With Knowledge Design Advisors CAD Fit Machine Motion KanBan Trigger Models Tolerance...Based Enterprise Geometry Kinematics Design Advisors Control Physics Planning System Models CAD Fit Machine Motion KanBan Trigger Models Tolerance

  7. Probabilistic Model-Based Safety Analysis

    CERN Document Server

    Güdemann, Matthias; 10.4204/EPTCS.28.8

    2010-01-01

    Model-based safety analysis approaches aim at finding critical failure combinations by analysis of models of the whole system (i.e. software, hardware, failure modes and environment). The advantage of these methods compared to traditional approaches is that the analysis of the whole system gives more precise results. Only few model-based approaches have been applied to answer quantitative questions in safety analysis, often limited to analysis of specific failure propagation models, limited types of failure modes or without system dynamics and behavior, as direct quantitative analysis is uses large amounts of computing resources. New achievements in the domain of (probabilistic) model-checking now allow for overcoming this problem. This paper shows how functional models based on synchronous parallel semantics, which can be used for system design, implementation and qualitative safety analysis, can be directly re-used for (model-based) quantitative safety analysis. Accurate modeling of different types of proba...

  8. Dynamic modelling and analysis of biochemical networks: mechanism-based models and model-based experiments.

    Science.gov (United States)

    van Riel, Natal A W

    2006-12-01

    Systems biology applies quantitative, mechanistic modelling to study genetic networks, signal transduction pathways and metabolic networks. Mathematical models of biochemical networks can look very different. An important reason is that the purpose and application of a model are essential for the selection of the best mathematical framework. Fundamental aspects of selecting an appropriate modelling framework and a strategy for model building are discussed. Concepts and methods from system and control theory provide a sound basis for the further development of improved and dedicated computational tools for systems biology. Identification of the network components and rate constants that are most critical to the output behaviour of the system is one of the major problems raised in systems biology. Current approaches and methods of parameter sensitivity analysis and parameter estimation are reviewed. It is shown how these methods can be applied in the design of model-based experiments which iteratively yield models that are decreasingly wrong and increasingly gain predictive power.

  9. Firm Based Trade Models and Turkish Economy

    Directory of Open Access Journals (Sweden)

    Nilüfer ARGIN

    2015-12-01

    Full Text Available Among all international trade models, only The Firm Based Trade Models explains firm’s action and behavior in the world trade. The Firm Based Trade Models focuses on the trade behavior of individual firms that actually make intra industry trade. Firm Based Trade Models can explain globalization process truly. These approaches include multinational cooperation, supply chain and outsourcing also. Our paper aims to explain and analyze Turkish export with Firm Based Trade Models’ context. We use UNCTAD data on exports by SITC Rev 3 categorization to explain total export and 255 products and calculate intensive-extensive margins of Turkish firms.

  10. Traceability in Model-Based Testing

    Directory of Open Access Journals (Sweden)

    Mathew George

    2012-11-01

    Full Text Available The growing complexities of software and the demand for shorter time to market are two important challenges that face today’s IT industry. These challenges demand the increase of both productivity and quality of software. Model-based testing is a promising technique for meeting these challenges. Traceability modeling is a key issue and challenge in model-based testing. Relationships between the different models will help to navigate from one model to another, and trace back to the respective requirements and the design model when the test fails. In this paper, we present an approach for bridging the gaps between the different models in model-based testing. We propose relation definition markup language (RDML for defining the relationships between models.

  11. Lévy-based growth models

    DEFF Research Database (Denmark)

    Jónsdóttir, Kristjana Ýr; Schmiegel, Jürgen; Jensen, Eva Bjørn Vedel

    2008-01-01

    In the present paper, we give a condensed review, for the nonspecialist reader, of a new modelling framework for spatio-temporal processes, based on Lévy theory. We show the potential of the approach in stochastic geometry and spatial statistics by studying Lévy-based growth modelling of planar...... objects. The growth models considered are spatio-temporal stochastic processes on the circle. As a by product, flexible new models for space–time covariance functions on the circle are provided. An application of the Lévy-based growth models to tumour growth is discussed....

  12. Base Flow Model Validation Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The innovation is the systematic "building-block" validation of CFD/turbulence models employing a GUI driven CFD code (RPFM) and existing as well as new data sets to...

  13. Distributed Prognostics Based on Structural Model Decomposition

    Data.gov (United States)

    National Aeronautics and Space Administration — Within systems health management, prognostics focuses on predicting the remaining useful life of a system. In the model-based prognostics paradigm, physics-based...

  14. Intercellular coupling amplifies fate segregation during Caenorhabditis elegans vulval development.

    Science.gov (United States)

    Giurumescu, Claudiu A; Sternberg, Paul W; Asthagiri, Anand R

    2006-01-31

    During vulval development in Caenorhabditis elegans, six precursor cells acquire a spatial pattern of distinct cell fates. This process is guided by a gradient in the soluble factor, LIN-3, and by direct interactions between neighboring cells mediated by the Notch-like receptor, LIN-12. Genetic evidence has revealed that these two extracellular signals are coupled: lateral cell-cell interactions inhibit LIN-3-mediated signaling, whereas LIN-3 regulates the extent of lateral signaling. To elucidate the quantitative implications of this coupled network topology for cell patterning during vulval development, we developed a mathematical model of LIN-3/LIN-12-mediated signaling in the vulval precursor cell array. Our analysis reveals that coupling LIN-3 and LIN-12 amplifies cellular perception of the LIN-3 gradient and polarizes lateral signaling, both of which enhance fate segregation beyond that achievable by an uncoupled system.

  15. Spatial heterogeneity of extensively grazed watersheds. Consequences for the modeling of the fate of fecal micro-organisms and the quality of superficial waters.

    Science.gov (United States)

    Trevisan, D.; Dorioz, J. M.; Poulenard, J.

    2009-04-01

    The quality of superficial water of extensively grazed watersheds is substantially affected by critical source areas. The latter correspond to demarcated areas whose location may vary in space and time according to environmental factors and farming practices. The objective of our work was to identify the critical source areas involved in the microbiological quality of superficial water of extensively grazed watersheds in mountain area. In such conditions, soils are characterized by a strong spatial diversity in terms of intrinsic properties, vegetation biomass or amount of cow-pats deposition. This leads to a great spatial heterogeneity of both the release and transfer of microbial pollutants. To identify the zones where there is a spatial and temporal coincidence between a source of contaminants and superficial runoff one need models that explicitly take in account this heterogeneity and noticeably the interactions between cow-pats deposition and evolution, together with soils hydrodynamic. We have developed such an approach by analyzing the studied area within a geographical information system and identifying the pixels giving rise to bacteria and runoff. These critical pixels are defined by modeling the distribution and evolution of cow-pats and the variable sources of surface runoff. The flows of fecal bacteria (E. coli) transmitted to the outflow of the watershed are calculated by accumulating the unit bacterial flows originating from critical pixels. Functions for bacterial emission from the cow-pats and for retention during their transmission to the drainage basin outflow are calibrated by inverse analysis. Along the course of the water flow, the bacterial retention on the surface of the soils is very influential. Nevertheless the contents in the water remain very high and basically it is the age of the cow-pats, the volumes of runoff water, the location and the proportions of bacteria-emitting and non-emitting surfaces which determine the critical source

  16. Systems biology approaches to understanding stem cell fate choice.

    Science.gov (United States)

    Peltier, J; Schaffer, D V

    2010-01-01

    Stem cells have the capability to self-renew and maintain their undifferentiated state or to differentiate into one or more specialised cell types. Stem cell expansion and manipulation ex vivo is a promising approach for engineering cell replacement therapies, and endogenous stem cells represent potential drugable targets for tissue repair. Before we can harness stem cells' therapeutic potential, we must first understand the intracellular mechanisms controlling their fate choices. These mechanisms involve complex signal transduction and gene regulation networks that feature, for example, intricate feed-forward loops, feedback loops and cross-talk between multiple signalling pathways. Systems biology applies computational and experimental approaches to investigate the emergent behaviour of collections of molecules and strives to explain how these numerous components interact to regulate molecular, cellular and organismal behaviour. Here we review systems biology, and in particular computational, efforts to understand the intracellular mechanisms of stem cell fate choice. We first discuss deterministic and stochastic models that synthesise molecular knowledge into mathematical formalism, enable simulation of important system behaviours and stimulate further experimentation. In addition, statistical analyses such as Bayesian networks and principal components analysis (PCA)/partial least squares (PLS) regression can distill large datasets into more readily managed networks and principal components that provide insights into the critical aspects and components of regulatory networks. Collectively, integrating modelling with experimentation has strong potential for enabling a deeper understanding of stem cell fate choice and thereby aiding the development of therapies to harness stem cells' therapeutic potential.

  17. A comparative study of occurrence and fate of endocrine disruptors: diethyl phthalate and dibutyl phthalate in ASP- and SBR-based wastewater treatment plants.

    Science.gov (United States)

    Saini, Gita; Pant, Shalini; Singh, Shri Om; Kazmi, A A; Alam, Tanveer

    2016-11-01

    Phthalates are endocrine-disrupting chemicals which affect endocrine system by bio-accumulation in aquatic organisms and produce adverse health effects in aquatic organisms as well as human beings, when come in contact. Present study focuses on occurrence and removal of two phthalates: diethylphthalate (DEP) and dibutylphthalate (DBP) in two full-scale wastewater treatment plants (WWTPs) i.e. sewage treatment plants (STPs) based on well-adopted technologies, activated sludge process (ASP) and sequencing batch reactor (SBR).Gas chromatography-mass spectrometry (GC-MS) analysis was performed for both wastewater and sludge sample for determination and identification of the concentration of these compounds in both STPs by monitoring the STPs for 9 months. It was observed that the concentration of DEP was less than DBP in the influent of ASP and SBR. Average concentrations of DEP and DBP in sludge sample of ASP were found to be 2.15 and 2.08 ng/g, whereas in SBR plant, these values were observed as 1.71 and 2.01 ng/g, respectively. Concerning the removal efficiency of DEP, SBR and ASP plants were found effective with removal efficiency of 91.51 and 91.03 %, respectively. However, in the case of DBP, SBR showed lower removal efficiency (85.42 %) as compared to ASP (92.67 %). Comparative study of both plants proposed that in ASP plant, DBP reduction was higher than the SBR. Fourier transformation infrared (FTIR) analysis also confirmed the same result of sludge analysis for both STPs. Sludge disposal studied with scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX) and thermo-gravimetric analysis (TGA) techniques confirmed that sludge of both STPs have high calorific value and can be used as fuel to make fuel-briquettes and bottom ash to make firebricks.

  18. Distributed hydrological models: comparison between TOPKAPI, a physically based model and TETIS, a conceptually based model

    Science.gov (United States)

    Ortiz, E.; Guna, V.

    2009-04-01

    The present work aims to carry out a comparison between two distributed hydrological models, the TOPKAPI (Ciarapica and Todini, 1998; Todini and Ciarapica, 2001) and TETIS (Vélez, J. J.; Vélez J. I. and Francés, F, 2002) models, obtaining the hydrological solution computed on the basis of the same storm events. The first model is physically based and the second one is conceptually based. The analysis was performed on the 21,4 km2 Goodwin Creek watershed, located in Panola County, Mississippi. This watershed extensively monitored by the Agricultural Research Service (ARS) National Sediment Laboratory (NSL) has been chosen because it offers a complete database compiling precipitation (16 rain gauges), runoff (6 discharge stations) and GIS data. Three storm events were chosen to evaluate the performance of the two models: the first one was chosen to calibrate the models, and the other two to validate them. Both models performed a satisfactory hydrological response both in calibration and validation events. While for the TOPKAPI model it wasn't a real calibration, due to its really good performance with parameters modal values derived of watershed characteristics, for the TETIS model it has been necessary to perform a previous automatic calibration. This calibration was carried out using the data provided by the observed hydrograph, in order to adjust the modeĺs 9 correction factors. Keywords: TETIS, TOPKAPI, distributed models, hydrological response, ungauged basins.

  19. Sources, fate, and pathways of Leeuwin Current water in the Indian Ocean and Great Australian Bight: A Lagrangian study in an eddy-resolving ocean model

    Science.gov (United States)

    Yit Sen Bull, Christopher; van Sebille, Erik

    2016-03-01

    The Leeuwin Current is the dominant circulation feature in the eastern Indian Ocean, transporting tropical and subtropical water southward. While it is known that the Leeuwin Current draws its water from a multitude of sources, existing Indian Ocean circulation schematics have never quantified the fluxes of tropical and subtropical source water flowing into the Leeuwin Current. This paper uses virtual Lagrangian particles to quantify the transport of these sources along the Leeuwin Current's mean pathway. Here the pathways and exchange of Leeuwin Current source waters across six coastally bound sectors on the south-west Australian coast are analyzed. This constitutes the first quantitative assessment of Leeuwin Current pathways within an offline, 50 year integration time, eddy-resolving global ocean model simulation. Along the Leeuwin Current's pathway, we find a mean poleward transport of 3.7 Sv in which the tropical sources account for 60-78% of the transport. While the net transport is small, we see large transports flowing in and out of all the offshore boundaries of the Leeuwin Current sectors. Along the Leeuwin Current's pathway, we find that water from the Indonesian Throughflow contributes 50-66% of the seasonal signal. By applying conditions on the routes particles take entering the Leeuwin Current, we find particles are more likely to travel offshore north of 30°S, while south of 30°S, particles are more likely to continue downstream. We find a 0.2 Sv pathway of water from the Leeuwin Current's source regions, flowing through the entire Leeuwin Current pathway into the Great Australian Bight.

  20. Three-dimensional model to capture the fate and transport of combined sewer overflow discharges: A case study in the Chicago Area Waterway System.

    Science.gov (United States)

    Quijano, Juan C; Zhu, Zhenduo; Morales, Viviana; Landry, Blake J; Garcia, Marcelo H

    2017-01-15

    We used a numerical model to analyze the impact of combined sewer overflows (CSOs) in the hydrodynamics and water quality of the Chicago Area Waterway System (CAWS). We coupled the Environmental Fluid Dynamics Code (EFDC) with the Water Quality Analysis Simulation Program (WASP) to perform three-dimensional simulations of the hydrodynamics and water quality in CAWS. The analysis was performed for two different storms: (i) May 6, 2009 representing a 6-hour duration 4-month return period, and (ii) September 12, 2008 representing a 48-hour duration 100-year return period. Results from the simulations show distinct differences between the two storms. During the May 2009 storm there was only one major CSO pumping event with negligible impact on the water quality of CAWS. During the September 2008 storm there were several CSOs that impacted the hydrodynamics and water quality of CAWS. In particular, CSOs during the September 2008 event induced a reversal flow in CAWS, with a plume of constituents that traveled in the opposite direction as water does under normal conditions. However, the simulation results show that CSOs events in CAWS take place during periods of high rainfall, thus the discharge of CSOs is significantly diluted along the CAWS. As a result, the concentrations of organic matter and inorganic nutrients observed at the downstream boundary in CAWS were significantly lower than those recorded at the CSOs outfalls and are within the limits established in the regulation for regular effluents. These results suggest that even during storms events with significant CSOs into the CAWS there is a significant dilution that reduce the impact in the water quality at the system boundaries.

  1. Altering endoplasmic reticulum stress in a model of blast-induced traumatic brain injury controls cellular fate and ameliorates neuropsychiatric symptoms

    Directory of Open Access Journals (Sweden)

    Aric Flint Logsdon

    2014-12-01

    Full Text Available Neuronal injury following blast-induced traumatic brain injury (bTBI increases the risk for neuropsychiatric disorders, yet the pathophysiology remains poorly understood. Blood-brain-barrier (BBB disruption, endoplasmic reticulum (ER stress, and apoptosis have all been implicated in bTBI. Microvessel compromise is a primary effect of bTBI and is postulated to cause subcellular secondary effects such as ER stress. What remains unclear is how these secondary effects progress to personality disorders in humans exposed to head trauma. To investigate this we exposed male rats to a clinically relevant bTBI model we have recently developed. The study examined initial BBB disruption using Evan’s blue, ER stress mechanisms, apoptosis and impulsive-like behavior measured with elevated plus maze (EPM. Large BBB openings were observed immediately following bTBI, and persisted for at least 6 h. Data showed increased mRNA abundance of stress response genes at 3 h, with subsequent increases in the ER stress markers C/EBP homologous protein (CHOP and growth arrest and DNA damage-inducible protein 34 (GADD34 at 24 h. Caspase-12 and Caspase-3 were both cleaved at 24 h following bTBI. The ER stress inhibitor, salubrinal (SAL, was administered (1mg/kg i.p. to investigate its’ effects on neuronal injury and impulsive-like behavior associated with bTBI. SAL reduced CHOP protein expression, and diminished Caspase-3 cleavage, suggesting apoptosis attenuation. Interestingly, SAL also ameliorated impulsive-like behavior indicative of head trauma. These results suggest SAL plays a role in apoptosis regulation and the pathology of chronic disease. These observations provide evidence that bTBI involves ER stress and that the UPR is a promising molecular target for the attenuation of neuronal injury.

  2. Ultrastructural and functional fate of recycled vesicles in hippocampal synapses.

    Science.gov (United States)

    Rey, Stephanie A; Smith, Catherine A; Fowler, Milena W; Crawford, Freya; Burden, Jemima J; Staras, Kevin

    2015-01-01

    Efficient recycling of synaptic vesicles is thought to be critical for sustained information transfer at central terminals. However, the specific contribution that retrieved vesicles make to future transmission events remains unclear. Here we exploit fluorescence and time-stamped electron microscopy to track the functional and positional fate of vesicles endocytosed after readily releasable pool (RRP) stimulation in rat hippocampal synapses. We show that most vesicles are recovered near the active zone but subsequently take up random positions in the cluster, without preferential bias for future use. These vesicles non-selectively queue, advancing towards the release site with further stimulation in an actin-dependent manner. Nonetheless, the small subset of vesicles retrieved recently in the stimulus train persist nearer the active zone and exhibit more privileged use in the next RRP. Our findings reveal heterogeneity in vesicle fate based on nanoscale position and timing rules, providing new insights into the origins of future pool constitution.

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

    Science.gov (United States)

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

    2016-06-01

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

  4. PCA-based lung motion model

    CERN Document Server

    Li, Ruijiang; Jia, Xun; Zhao, Tianyu; Lamb, James; Yang, Deshan; Low, Daniel A; Jiang, Steve B

    2010-01-01

    Organ motion induced by respiration may cause clinically significant targeting errors and greatly degrade the effectiveness of conformal radiotherapy. It is therefore crucial to be able to model respiratory motion accurately. A recently proposed lung motion model based on principal component analysis (PCA) has been shown to be promising on a few patients. However, there is still a need to understand the underlying reason why it works. In this paper, we present a much deeper and detailed analysis of the PCA-based lung motion model. We provide the theoretical justification of the effectiveness of PCA in modeling lung motion. We also prove that under certain conditions, the PCA motion model is equivalent to 5D motion model, which is based on physiology and anatomy of the lung. The modeling power of PCA model was tested on clinical data and the average 3D error was found to be below 1 mm.

  5. Integration of Simulink Models with Component-based Software Models

    DEFF Research Database (Denmark)

    Marian, Nicolae

    2008-01-01

    constructs and process flow, then software code is generated. A Simulink model is a representation of the design or implementation of a physical system that satisfies a set of requirements. A software component-based system aims to organize system architecture and behaviour as a means of computation...... constraints. COMDES (Component-based Design of Software for Distributed Embedded Systems) is such a component-based system framework developed by the software engineering group of Mads Clausen Institute for Product Innovation (MCI), University of Southern Denmark. Once specified, the software model has......Model based development aims to facilitate the development of embedded control systems by emphasizing the separation of the design level from the implementation level. Model based design involves the use of multiple models that represent different views of a system, having different semantics...

  6. A Multiple Model Approach to Modeling Based on LPF Algorithm

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Input-output data fitting methods are often used for unknown-structure nonlinear system modeling. Based on model-on-demand tactics, a multiple model approach to modeling for nonlinear systems is presented. The basic idea is to find out, from vast historical system input-output data sets, some data sets matching with the current working point, then to develop a local model using Local Polynomial Fitting (LPF) algorithm. With the change of working points, multiple local models are built, which realize the exact modeling for the global system. By comparing to other methods, the simulation results show good performance for its simple, effective and reliable estimation.``

  7. Behavior and Design Intent Based Product Modeling

    Directory of Open Access Journals (Sweden)

    László Horváth

    2004-11-01

    Full Text Available A knowledge based modeling of mechanical products is presented for industrial CAD/CAM systems. An active model is proposed that comprise knowledge from modeling procedures, generic part models and engineers. Present day models of mechanical systems do not contain data about the background of human decisions. This situation motivated the authors at their investigations on exchange design intent information between engineers. Their concept was extending of product models to be capable of description of design intent information. Several human-computer and human-human communication issues were considered. The complex communication problem has been divided into four sub-problems, namely communication of human intent source with the computer system, representation of human intent, exchange of intent data between modeling procedures and communication of the represented intent with humans. Paper discusses the scenario of intelligent modeling based engineering. Then key concepts for the application of computational intelligence in computer model based engineering systems are detailed including knowledge driven models as well as areas of their application. Next, behavior based models with intelligent content involving specifications and knowledge for the design processes are emphasized and an active part modeling is proposed and possibilities for its application are outlined. Finally, design intent supported intelligent modeling is discussed.

  8. A developmental ontology for the mammalian brain based on the prosomeric model.

    Science.gov (United States)

    Puelles, Luis; Harrison, Megan; Paxinos, George; Watson, Charles

    2013-10-01

    In the past, attempts to create a hierarchical classification of brain structures (an ontology) have been limited by the lack of adequate data on developmental processes. Recent studies on gene expression during brain development have demonstrated the true morphologic interrelations of different parts of the brain. A developmental ontology takes into account the progressive rostrocaudal and dorsoventral differentiation of the neural tube, and the radial migration of derivatives from progenitor areas, using fate mapping and other experimental techniques. In this review, we used the prosomeric model of brain development to build a hierarchical classification of brain structures based chiefly on gene expression. Because genomic control of neural morphogenesis is remarkably conservative, this ontology should prove essentially valid for all vertebrates, aiding terminological unification.

  9. Model Validation in Ontology Based Transformations

    Directory of Open Access Journals (Sweden)

    Jesús M. Almendros-Jiménez

    2012-10-01

    Full Text Available Model Driven Engineering (MDE is an emerging approach of software engineering. MDE emphasizes the construction of models from which the implementation should be derived by applying model transformations. The Ontology Definition Meta-model (ODM has been proposed as a profile for UML models of the Web Ontology Language (OWL. In this context, transformations of UML models can be mapped into ODM/OWL transformations. On the other hand, model validation is a crucial task in model transformation. Meta-modeling permits to give a syntactic structure to source and target models. However, semantic requirements have to be imposed on source and target models. A given transformation will be sound when source and target models fulfill the syntactic and semantic requirements. In this paper, we present an approach for model validation in ODM based transformations. Adopting a logic programming based transformational approach we will show how it is possible to transform and validate models. Properties to be validated range from structural and semantic requirements of models (pre and post conditions to properties of the transformation (invariants. The approach has been applied to a well-known example of model transformation: the Entity-Relationship (ER to Relational Model (RM transformation.

  10. Comparing repetition-based melody segmentation models

    NARCIS (Netherlands)

    Rodríguez López, M.E.; de Haas, Bas; Volk, Anja

    2014-01-01

    This paper reports on a comparative study of computational melody segmentation models based on repetition detection. For the comparison we implemented five repetition-based segmentation models, and subsequently evaluated their capacity to automatically find melodic phrase boundaries in a corpus of 2

  11. A Role-Based Fuzzy Assignment Model

    Institute of Scientific and Technical Information of China (English)

    ZUO Bao-he; FENG Shan

    2002-01-01

    It's very important to dynamically assign the tasks to corresponding actors in workflow management system, especially in complex applications. This improves the flexibility of workflow systems.In this paper, a role-based workflow model with fuzzy optimized intelligent assignment is proposed and applied in the investment management system. A groupware-based software model is also proposed.

  12. Assessment of nitrate pollution in the Grand Morin aquifers (France): combined use of geostatistics and physically based modeling.

    Science.gov (United States)

    Flipo, Nicolas; Jeannée, Nicolas; Poulin, Michel; Even, Stéphanie; Ledoux, Emmanuel

    2007-03-01

    The objective of this work is to combine several approaches to better understand nitrate fate in the Grand Morin aquifers (2700 km(2)), part of the Seine basin. cawaqs results from the coupling of the hydrogeological model newsam with the hydrodynamic and biogeochemical model of river ProSe. cawaqs is coupled with the agronomic model Stics in order to simulate nitrate migration in basins. First, kriging provides a satisfactory representation of aquifer nitrate contamination from local observations, to set initial conditions for the physically based model. Then associated confidence intervals, derived from data using geostatistics, are used to validate cawaqs results. Results and evaluation obtained from the combination of these approaches are given (period 1977-1988). Then cawaqs is used to simulate nitrate fate for a 20-year period (1977-1996). The mean nitrate concentrations increase in aquifers is 0.09 mgN L(-1)yr(-1), resulting from an average infiltration flux of 3500 kgN.km(-2)yr(-1).

  13. Key-Based Data Model

    Science.gov (United States)

    1994-05-16

    prgresive repetition. It is used, principally , to train small units to pefom tasks requiring a high degree of teamwork, such as fire and maneuver actions in...an adminitative structure that has a mission. An established need based on a valid deficiency in an administrative structure with a mission. Person A

  14. Phylogenetic invariants for group-based models

    CERN Document Server

    Donten-Bury, Maria

    2010-01-01

    In this paper we investigate properties of algebraic varieties representing group-based phylogenetic models. We give the (first) example of a nonnormal general group-based model for an abelian group. Following Kaie Kubjas we also determine some invariants of group-based models showing that the associated varieties do not have to be deformation equivalent. We propose a method of generating many phylogenetic invariants and in particular we show that our approach gives the whole ideal of the claw tree for 3-Kimura model under the assumption of the conjecture of Sturmfels and Sullivant. This, combined with the results of Sturmfels and Sullivant, would enable to determine all phylogenetic invariants for any tree for 3-Kimura model and possibly for other group-based models.

  15. Model-based internal wave processing

    Energy Technology Data Exchange (ETDEWEB)

    Candy, J.V.; Chambers, D.H.

    1995-06-09

    A model-based approach is proposed to solve the oceanic internal wave signal processing problem that is based on state-space representations of the normal-mode vertical velocity and plane wave horizontal velocity propagation models. It is shown that these representations can be utilized to spatially propagate the modal (dept) vertical velocity functions given the basic parameters (wave numbers, Brunt-Vaisala frequency profile etc.) developed from the solution of the associated boundary value problem as well as the horizontal velocity components. Based on this framework, investigations are made of model-based solutions to the signal enhancement problem for internal waves.

  16. Agent-based modeling of sustainable behaviors

    CERN Document Server

    Sánchez-Maroño, Noelia; Fontenla-Romero, Oscar; Polhill, J; Craig, Tony; Bajo, Javier; Corchado, Juan

    2017-01-01

    Using the O.D.D. (Overview, Design concepts, Detail) protocol, this title explores the role of agent-based modeling in predicting the feasibility of various approaches to sustainability. The chapters incorporated in this volume consist of real case studies to illustrate the utility of agent-based modeling and complexity theory in discovering a path to more efficient and sustainable lifestyles. The topics covered within include: households' attitudes toward recycling, designing decision trees for representing sustainable behaviors, negotiation-based parking allocation, auction-based traffic signal control, and others. This selection of papers will be of interest to social scientists who wish to learn more about agent-based modeling as well as experts in the field of agent-based modeling.

  17. ASSESSMENT OF THE SUBSURFACE FATE OF MONOETHANOLAMINE

    Energy Technology Data Exchange (ETDEWEB)

    James A. Sorensen; John R. Gallagher; Lori G. Kays

    2000-05-01

    Burial of amine reclaimer unit sludges and system filters has resulted in contamination of soil at the CanOxy Okotoks decommissioned sour gas-processing plant with amines, amine byproducts, and salts. A three-phase research program was devised to investigate the natural attenuation process that controls the subsurface transport and fate of these contaminants and to apply the results toward the development of a strategy for the remediation of this type of contamination in soils. Phase I experimental activities examined interactions between monoethanolamine (MEA) and sediment, the biodegradability of MEA in soils at various concentrations and temperatures, and the biodegradability of MEA sludge contamination in a soil slurry bioreactor. The transport and fate of MEA in the subsurface was found to be highly dependant on the nature of the release, particularly MEA concentration and conditions of the subsurface environment, i.e., pH, temperature, and oxygen availability. Pure compound biodegradation experiments in soil demonstrated rapid biodegradation of MEA under aerobic conditions and moderate temperatures (>6 C). Phase II landfarming activities confirmed that these contaminants are readily biodegradable in soil under ideal laboratory conditions, yet considerable toxicity was observed in the remaining material. Examination of water extracts from the treated soil suggested that the toxicity is water-soluble. Phase II activities led to the conclusion that landfarming is not the most desirable bioremediation technique; however, an engineered biopile with a leachate collection system could remove the remaining toxic fraction from the soil. Phase III was initiated to conduct field-based experimental activities to examine the optimized remediation technology. A pilot-scale engineered biopile was constructed at a decommissioned gas-sweetening facility in Okotoks, Alberta, Canada. On the basis of a review of the analytical and performance data generated from soil and

  18. IP Network Management Model Based on NGOSS

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jin-yu; LI Hong-hui; LIU Feng

    2004-01-01

    This paper addresses a management model for IP network based on Next Generation Operation Support System (NGOSS). It makes the network management on the base of all the operation actions of ISP, It provides QoS to user service through the whole path by providing end-to-end Service Level Agreements (SLA) management through whole path. Based on web and coordination technology, this paper gives an implement architecture of this model.

  19. The fate of Earth’s ocean

    Directory of Open Access Journals (Sweden)

    C. Bounama

    2001-01-01

    Full Text Available Questions of how water arrived on the Earth’s surface, how much water is contained in the Earth system as a whole, and how much water will be available in the future in the surface reservoirs are of central importance to our understanding of the Earth. To answer the question about the fate of the Earth’s ocean, one has to study the global water cycle under conditions of internal and external forcing processes. Modern estimates suggest that the transport of water to the surface is five times smaller than water movement to the mantle, so that the Earth will lose all its sea-water in one billion years from now. This straightforward extrapolation of subduction-zone fluxes into the future seems doubtful. Using a geophysical modelling approach it was found that only 27% of the modern ocean will be subducted in one billion years. Internal feedbacks will not be the cause of the ocean drying out. Instead, the drying up of surface reservoirs in the future will be due to the increase in temperature caused by a maturing Sun connected to hydrogen escape to outer space. Keywords: Surface water reservoir, water fluxes, regassing, degassing, global water cycle

  20. Neural Induction, Neural Fate Stabilization, and Neural Stem Cells

    Directory of Open Access Journals (Sweden)

    Sally A. Moody

    2002-01-01

    Full Text Available The promise of stem cell therapy is expected to greatly benefit the treatment of neurodegenerative diseases. An underlying biological reason for the progressive functional losses associated with these diseases is the extremely low natural rate of self-repair in the nervous system. Although the mature CNS harbors a limited number of self-renewing stem cells, these make a significant contribution to only a few areas of brain. Therefore, it is particularly important to understand how to manipulate embryonic stem cells and adult neural stem cells so their descendants can repopulate and functionally repair damaged brain regions. A large knowledge base has been gathered about the normal processes of neural development. The time has come for this information to be applied to the problems of obtaining sufficient, neurally committed stem cells for clinical use. In this article we review the process of neural induction, by which the embryonic ectodermal cells are directed to form the neural plate, and the process of neural�fate stabilization, by which neural plate cells expand in number and consolidate their neural fate. We will present the current knowledge of the transcription factors and signaling molecules that are known to be involved in these processes. We will discuss how these factors may be relevant to manipulating embryonic stem cells to express a neural fate and to produce large numbers of neurally committed, yet undifferentiated, stem cells for transplantation therapies.

  1. Experimental investigation of the behaviour and fate of block copolymers in fouling-release coatings

    DEFF Research Database (Denmark)

    Noguer, Albert Camós; Olsen, Stefan Møller

    in the worsening of the fouling-inhibition properties of these complex systems, specially focusing on the behaviour and fate of the block copolymers used as additives. The development of various methods to visualize and quantify processes involving these copolymers are presented. Chapter 1 provides an overview......-release coatings. A coating based on a PDMS binder has been employed as model system in the thesis. The effect of the addition of various PEG-based surfactants and copolymers (i.e. amphiphiles) was investigated by a novel method developed in this project, and the diffusion coefficient and biofouling...... coatings. Images obtained by confocal microscopy proved that the copolymer molecules assemble in spherical domains inside the PDMS coating. The domains are smaller close to the surface and larger in the bulk of the film (with domains as large as 7 µm in diameter). The diffusion of copolymer from the bulk...

  2. CEAI: CCM based Email Authorship Identification Model

    DEFF Research Database (Denmark)

    Nizamani, Sarwat; Memon, Nasrullah

    2013-01-01

    In this paper we present a model for email authorship identification (EAI) by employing a Cluster-based Classification (CCM) technique. Traditionally, stylometric features have been successfully employed in various authorship analysis tasks; we extend the traditional feature-set to include some...... more interesting and effective features for email authorship identification (e.g. the last punctuation mark used in an email, the tendency of an author to use capitalization at the start of an email, or the punctuation after a greeting or farewell). We also included Info Gain feature selection based...... reveal that the proposed CCM-based email authorship identification model, along with the proposed feature set, outperforms the state-of-the-art support vector machine (SVM)-based models, as well as the models proposed by Iqbal et al. [1, 2]. The proposed model attains an accuracy rate of 94% for 10...

  3. Agent-based modeling and network dynamics

    CERN Document Server

    Namatame, Akira

    2016-01-01

    The book integrates agent-based modeling and network science. It is divided into three parts, namely, foundations, primary dynamics on and of social networks, and applications. The book begins with the network origin of agent-based models, known as cellular automata, and introduce a number of classic models, such as Schelling’s segregation model and Axelrod’s spatial game. The essence of the foundation part is the network-based agent-based models in which agents follow network-based decision rules. Under the influence of the substantial progress in network science in late 1990s, these models have been extended from using lattices into using small-world networks, scale-free networks, etc. The book also shows that the modern network science mainly driven by game-theorists and sociophysicists has inspired agent-based social scientists to develop alternative formation algorithms, known as agent-based social networks. The book reviews a number of pioneering and representative models in this family. Upon the gi...

  4. Modeling radiocesium transport from a river catchment based on a physically-based distributed hydrological and sediment erosion model.

    Science.gov (United States)

    Kinouchi, Tsuyoshi; Yoshimura, Kazuya; Omata, Teppei

    2015-01-01

    The accident at the Fukushima Dai-ichi Nuclear Power Plant (FDNPP) in March 2011 resulted in the deposition of large quantities of radionuclides, such as (134)Cs and (137)Cs, over parts of eastern Japan. Since then high levels of radioactive contamination have been detected in large areas, including forests, agricultural land, and residential areas. Due to the strong adsorption capability of radiocesium to soil particles, radiocesium migrates with eroded sediments, follows the surface flow paths, and is delivered to more populated downstream regions and eventually to the Pacific Ocean. It is therefore important to understand the transport of contaminated sediments in the hydrological system and to predict changes in the spatial distribution of radiocesium concentrations by taking the land-surface processes related to sediment migration into consideration. In this study, we developed a distributed model to simulate the transport of water and contaminated sediment in a watershed hydrological system, and applied this model to a partially forested mountain catchment located in an area highly contaminated by the radioactive fallout. Observed discharge, sediment concentration, and cesium concentration measured from June 2011 until December 2012 were used for calibration of model parameters. The simulated discharge and sediment concentration both agreed well with observed values, while the cesium concentration was underestimated in the initial period following the accident. This result suggests that the leaching of radiocesium from the forest canopy, which was not considered in the model, played a significant role in its transport from the catchment. Based on the simulation results, we quantified the long-term fate of radiocesium over the study area and estimated that the effective half-life of (137)Cs deposited in the study area will be approximately 22 y due to the export of contaminated sediment by land-surface processes, and the amount of (137)Cs remaining in the

  5. Simulation-based Manufacturing System Modeling

    Institute of Scientific and Technical Information of China (English)

    卫东; 金烨; 范秀敏; 严隽琪

    2003-01-01

    In recent years, computer simulation appears to be very advantageous technique for researching the resource-constrained manufacturing system. This paper presents an object-oriented simulation modeling method, which combines the merits of traditional methods such as IDEF0 and Petri Net. In this paper, a four-layer-one-angel hierarchical modeling framework based on OOP is defined. And the modeling description of these layers is expounded, such as: hybrid production control modeling and human resource dispatch modeling. To validate the modeling method, a case study of an auto-product line in a motor manufacturing company has been carried out.

  6. Model-Based Motion Tracking of Infants

    DEFF Research Database (Denmark)

    Olsen, Mikkel Damgaard; Herskind, Anna; Nielsen, Jens Bo;

    2014-01-01

    Even though motion tracking is a widely used technique to analyze and measure human movements, only a few studies focus on motion tracking of infants. In recent years, a number of studies have emerged focusing on analyzing the motion pattern of infants, using computer vision. Most of these studies...... are based on 2D images, but few are based on 3D information. In this paper, we present a model-based approach for tracking infants in 3D. The study extends a novel study on graph-based motion tracking of infants and we show that the extension improves the tracking results. A 3D model is constructed...... that resembles the body surface of an infant, where the model is based on simple geometric shapes and a hierarchical skeleton model....

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

    Science.gov (United States)

    Taghavy, Amir

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

  8. An Internet-Based Simulation Model for Nitrogen Management in Agricultural Settings

    Directory of Open Access Journals (Sweden)

    M.J. Shaffer

    2001-01-01

    Full Text Available Complex chemical, physical, and biological processes mediate nitrogen (N transformations and movement during agricultural production, making the optimization of fertilizer use and environmental protection exceedingly difficult. Various computer models have been developed to simulate the site-specific fate and transport of N resulting from different crop production scenarios, but these models are very complex and difficult to use for most farmers, consultants, and conservationists. In an effort to facilitate access and simplify the use of sophisticated models, the U.S. Department of Agriculture (USDA has developed an Internet-based nitrogen analysis tool. Based on the Nitrate Leaching and Economic Analysis Package (NLEAP, the Web site allows a user to conduct multiyear N simulation modeling specific to a crop field. Servers handle much of the required data assembly and formatting, thus sparing the user�s resources. Model runs are executed on the servers and the results are transmitted to the user. This new tool is presented along with early implementation results.

  9. Reactive Solute Transport in Streams: 1. Development of an Equilibrium-Based Model

    Science.gov (United States)

    Runkel, Robert L.; Bencala, Kenneth E.; Broshears, Robert E.; Chapra, Steven C.

    1996-02-01

    An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (water-borne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach.

  10. Reactive solute transport in streams. 1. Development of an equilibrium- based model

    Science.gov (United States)

    Runkel, R.L.; Bencala, K.E.; Broshears, R.E.; Chapra, S.C.

    1996-01-01

    An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (water-borne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach.

  11. Energy based prediction models for building acoustics

    DEFF Research Database (Denmark)

    Brunskog, Jonas

    2012-01-01

    In order to reach robust and simplified yet accurate prediction models, energy based principle are commonly used in many fields of acoustics, especially in building acoustics. This includes simple energy flow models, the framework of statistical energy analysis (SEA) as well as more elaborated...... principles as, e.g., wave intensity analysis (WIA). The European standards for building acoustic predictions, the EN 12354 series, are based on energy flow and SEA principles. In the present paper, different energy based prediction models are discussed and critically reviewed. Special attention is placed...

  12. Probabilistic Model-Based Background Subtraction

    DEFF Research Database (Denmark)

    Krüger, Volker; Andersen, Jakob; Prehn, Thomas

    2005-01-01

    manner. Bayesian propagation over time is used for proper model selection and tracking during model-based background subtraction. Bayes propagation is attractive in our application as it allows to deal with uncertainties during tracking. We have tested our approach on suitable outdoor video data....... is the correlation between pixels. In this paper we introduce a model-based background subtraction approach which facilitates prior knowledge of pixel correlations for clearer and better results. Model knowledge is being learned from good training video data, the data is stored for fast access in a hierarchical...

  13. Software Testing Method Based on Model Comparison

    Institute of Scientific and Technical Information of China (English)

    XIE Xiao-dong; LU Yan-sheng; MAO Cheng-yin

    2008-01-01

    A model comparison based software testing method (MCST) is proposed. In this method, the requirements and programs of software under test are transformed into the ones in the same form, and described by the same model describe language (MDL).Then, the requirements are transformed into a specification model and the programs into an implementation model. Thus, the elements and structures of the two models are compared, and the differences between them are obtained. Based on the diffrences, a test suite is generated. Different MDLs can be chosen for the software under test. The usages of two classical MDLs in MCST, the equivalence classes model and the extended finite state machine (EFSM) model, are described with example applications. The results show that the test suites generated by MCST are more efficient and smaller than some other testing methods, such as the path-coverage testing method, the object state diagram testing method, etc.

  14. Instance-Based Generative Biological Shape Modeling.

    Science.gov (United States)

    Peng, Tao; Wang, Wei; Rohde, Gustavo K; Murphy, Robert F

    2009-01-01

    Biological shape modeling is an essential task that is required for systems biology efforts to simulate complex cell behaviors. Statistical learning methods have been used to build generative shape models based on reconstructive shape parameters extracted from microscope image collections. However, such parametric modeling approaches are usually limited to simple shapes and easily-modeled parameter distributions. Moreover, to maximize the reconstruction accuracy, significant effort is required to design models for specific datasets or patterns. We have therefore developed an instance-based approach to model biological shapes within a shape space built upon diffeomorphic measurement. We also designed a recursive interpolation algorithm to probabilistically synthesize new shape instances using the shape space model and the original instances. The method is quite generalizable and therefore can be applied to most nuclear, cell and protein object shapes, in both 2D and 3D.

  15. Distributed Prognostics based on Structural Model Decomposition

    Science.gov (United States)

    Daigle, Matthew J.; Bregon, Anibal; Roychoudhury, I.

    2014-01-01

    Within systems health management, prognostics focuses on predicting the remaining useful life of a system. In the model-based prognostics paradigm, physics-based models are constructed that describe the operation of a system and how it fails. Such approaches consist of an estimation phase, in which the health state of the system is first identified, and a prediction phase, in which the health state is projected forward in time to determine the end of life. Centralized solutions to these problems are often computationally expensive, do not scale well as the size of the system grows, and introduce a single point of failure. In this paper, we propose a novel distributed model-based prognostics scheme that formally describes how to decompose both the estimation and prediction problems into independent local subproblems whose solutions may be easily composed into a global solution. The decomposition of the prognostics problem is achieved through structural decomposition of the underlying models. The decomposition algorithm creates from the global system model a set of local submodels suitable for prognostics. Independent local estimation and prediction problems are formed based on these local submodels, resulting in a scalable distributed prognostics approach that allows the local subproblems to be solved in parallel, thus offering increases in computational efficiency. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the distributed approach, compare the performance with a centralized approach, and establish its scalability. Index Terms-model-based prognostics, distributed prognostics, structural model decomposition ABBREVIATIONS

  16. Fate of chemical warfare agents and toxic industrial chemicals in landfills.

    Science.gov (United States)

    Bartelt-Hunt, Shannon L; Barlaz, Morton A; Knappe, Detlef R U; Kjeldsen, Peter

    2006-07-01

    One component of preparedness for a chemical attack is planning for the disposal of contaminated debris. To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs) in MSW landfills was predicted with a mathematical model. Five blister agents [sulfur mustard (HD), nitrogen mustard (HN-2), lewisite (L), ethyldichloroarsine (ED), and phosgene oxime (CX)], eight nerve agents [tabun (GA), sarin (GB), soman (GD), GE, GF, VX, VG, and VM], one riot-control agent [CS], and two TICs [furan and carbon disulfide] were studied. The effects of both infiltration (climate) and contaminant biodegradability on fate predictions were assessed. Model results showed that hydrolysis and gas-phase advection were the principal fate pathways for CWAs and TICs, respectively. Apart from CX and the TICs, none of the investigated compounds was predicted to persist in a landfill for more than 5 years. Climate had little impact on CWA/TIC fate, and biodegradability was only important for compounds with long hydrolysis half-lives. Monte Carlo simulations were performed to assess the influence of uncertainty in model input parameters on CWA/TIC fate predictions. Correlation analyses showed that uncertainty in hydrolysis rate constants was the primary contributor to variance of CWA fate predictions, while uncertainty in the Henry's Law constant and landfill gas-production rate accounted for most of the variance of TIC fate predictions. CWA hydrolysates were more persistent than the parent CWAs, but limited information is available on abiotic or biotic transformation rates for these chemicals.

  17. Sketch-based Interfaces and Modeling

    CERN Document Server

    Jorge, Joaquim

    2011-01-01

    The field of sketch-based interfaces and modeling (SBIM) is concerned with developing methods and techniques to enable users to interact with a computer through sketching - a simple, yet highly expressive medium. SBIM blends concepts from computer graphics, human-computer interaction, artificial intelligence, and machine learning. Recent improvements in hardware, coupled with new machine learning techniques for more accurate recognition, and more robust depth inferencing techniques for sketch-based modeling, have resulted in an explosion of both sketch-based interfaces and pen-based computing

  18. Multiscale agent-based consumer market modeling.

    Energy Technology Data Exchange (ETDEWEB)

    North, M. J.; Macal, C. M.; St. Aubin, J.; Thimmapuram, P.; Bragen, M.; Hahn, J.; Karr, J.; Brigham, N.; Lacy, M. E.; Hampton, D.; Decision and Information Sciences; Procter & Gamble Co.

    2010-05-01

    Consumer markets have been studied in great depth, and many techniques have been used to represent them. These have included regression-based models, logit models, and theoretical market-level models, such as the NBD-Dirichlet approach. Although many important contributions and insights have resulted from studies that relied on these models, there is still a need for a model that could more holistically represent the interdependencies of the decisions made by consumers, retailers, and manufacturers. When the need is for a model that could be used repeatedly over time to support decisions in an industrial setting, it is particularly critical. Although some existing methods can, in principle, represent such complex interdependencies, their capabilities might be outstripped if they had to be used for industrial applications, because of the details this type of modeling requires. However, a complementary method - agent-based modeling - shows promise for addressing these issues. Agent-based models use business-driven rules for individuals (e.g., individual consumer rules for buying items, individual retailer rules for stocking items, or individual firm rules for advertizing items) to determine holistic, system-level outcomes (e.g., to determine if brand X's market share is increasing). We applied agent-based modeling to develop a multi-scale consumer market model. We then conducted calibration, verification, and validation tests of this model. The model was successfully applied by Procter & Gamble to several challenging business problems. In these situations, it directly influenced managerial decision making and produced substantial cost savings.

  19. PDF-based heterogeneous multiscale filtration model.

    Science.gov (United States)

    Gong, Jian; Rutland, Christopher J

    2015-04-21

    Motivated by modeling of gasoline particulate filters (GPFs), a probability density function (PDF) based heterogeneous multiscale filtration (HMF) model is developed to calculate filtration efficiency of clean particulate filters. A new methodology based on statistical theory and classic filtration theory is developed in the HMF model. Based on the analysis of experimental porosimetry data, a pore size probability density function is introduced to represent heterogeneity and multiscale characteristics of the porous wall. The filtration efficiency of a filter can be calculated as the sum of the contributions of individual collectors. The resulting HMF model overcomes the limitations of classic mean filtration models which rely on tuning of the mean collector size. Sensitivity analysis shows that the HMF model recovers the classical mean model when the pore size variance is very small. The HMF model is validated by fundamental filtration experimental data from different scales of filter samples. The model shows a good agreement with experimental data at various operating conditions. The effects of the microstructure of filters on filtration efficiency as well as the most penetrating particle size are correctly predicted by the model.