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Sample records for active site water

  1. An Active Site Water Network in the Plasminogen Activator Pla from Yersinia pestis

    SciTech Connect

    Eren, Elif; Murphy, Megan; Goguen, Jon; van den Berg, Bert

    2010-08-13

    The plasminogen activator Pla from Yersinia pestis is an outer membrane protease (omptin) that is important for the virulence of plague. Here, we present the high-resolution crystal structure of wild-type, enzymatically active Pla at 1.9 {angstrom}. The structure shows a water molecule located between active site residues D84 and H208, which likely corresponds to the nucleophilic water. A number of other water molecules are present in the active site, linking residues important for enzymatic activity. The R211 sidechain in loop L4 is close to the nucleophilic water and possibly involved in the stabilization of the oxyanion intermediate. Subtle conformational changes of H208 result from the binding of lipopolysaccharide to the outside of the barrel, explaining the unusual dependence of omptins on lipopolysaccharide for activity. The Pla structure suggests a model for the interaction with plasminogen substrate and provides a more detailed understanding of the catalytic mechanism of omptin proteases.

  2. An active site water network in the plasminogen activator pla from Yersinia pestis.

    PubMed

    Eren, Elif; Murphy, Megan; Goguen, Jon; van den Berg, Bert

    2010-07-14

    The plasminogen activator Pla from Yersinia pestis is an outer membrane protease (omptin) that is important for the virulence of plague. Here, we present the high-resolution crystal structure of wild-type, enzymatically active Pla at 1.9 A. The structure shows a water molecule located between active site residues D84 and H208, which likely corresponds to the nucleophilic water. A number of other water molecules are present in the active site, linking residues important for enzymatic activity. The R211 sidechain in loop L4 is close to the nucleophilic water and possibly involved in the stabilization of the oxyanion intermediate. Subtle conformational changes of H208 result from the binding of lipopolysaccharide to the outside of the barrel, explaining the unusual dependence of omptins on lipopolysaccharide for activity. The Pla structure suggests a model for the interaction with plasminogen substrate and provides a more detailed understanding of the catalytic mechanism of omptin proteases.

  3. Active-Site Hydration and Water Diffusion in Cytochrome P450cam: A Highly Dynamic Process

    SciTech Connect

    Miao, Yinglong; Baudry, Jerome Y

    2011-01-01

    Long-timescale molecular dynamics simulations (300 ns) are performed on both the apo- (i.e., camphor-free) and camphor-bound cytochrome P450cam (CYP101). Water diffusion into and out of the protein active site is observed without biased sampling methods. During the course of the molecular dynamics simulation, an average of 6.4 water molecules is observed in the camphor-binding site of the apo form, compared to zero water molecules in the binding site of the substrate-bound form, in agreement with the number of water molecules observed in crystal structures of the same species. However, as many as 12 water molecules can be present at a given time in the camphor-binding region of the active site in the case of apo-P450cam, revealing a highly dynamic process for hydration of the protein active site, with water molecules exchanging rapidly with the bulk solvent. Water molecules are also found to exchange locations frequently inside the active site, preferentially clustering in regions surrounding the water molecules observed in the crystal structure. Potential-of-mean-force calculations identify thermodynamically favored trans-protein pathways for the diffusion of water molecules between the protein active site and the bulk solvent. Binding of camphor in the active site modifies the free-energy landscape of P450cam channels toward favoring the diffusion of water molecules out of the protein active site.

  4. Testing the applicability of rapid on-site enzymatic activity detection for surface water monitoring

    NASA Astrophysics Data System (ADS)

    Stadler, Philipp; Vogl, Wolfgang; Juri, Koschelnik; Markus, Epp; Maximilian, Lackner; Markus, Oismüller; Monika, Kumpan; Peter, Strauss; Regina, Sommer; Gabriela, Ryzinska-Paier; Farnleitner Andreas, H.; Matthias, Zessner

    2015-04-01

    On-site detection of enzymatic activities has been suggested as a rapid surrogate for microbiological pollution monitoring of water resources (e.g. using glucuronidases, galactosidases, esterases). Due to the possible short measuring intervals enzymatic methods have high potential as near-real time water quality monitoring tools. This presentation describes results from a long termed field test. For twelve months, two ColiMinder devices (Vienna Water Monitoring, Austria) for on-site determination of enzymatic activity were tested for stream water monitoring at the experimental catchment HOAL (Hydrological Open Air Laboratory, Center for Water Resource Systems, Vienna University of Technology). The devices were overall able to follow and reflect the diverse hydrological and microbiological conditions of the monitored stream during the test period. Continuous data in high temporal resolution captured the course of enzymatic activity in stream water during diverse rainfall events. The method also proofed sensitive enough to determine diurnal fluctuations of enzymatic activity in stream water during dry periods. The method was able to capture a seasonal trend of enzymatic activity in stream water that matches the results gained from Colilert18 analysis for E. coli and coliform bacteria of monthly grab samples. Furthermore the comparison of ColiMinder data with measurements gained at the same test site with devices using the same method but having different construction design (BACTcontrol, microLAN) showed consistent measuring results. Comparative analysis showed significant differences between measured enzymatic activity (modified fishman units and pmol/min/100ml) and cultivation based analyses (most probable number, colony forming unit). Methods of enzymatic activity measures are capable to detect ideally the enzymatic activity caused by all active target bacteria members, including VBNC (viable but nonculturable) while cultivation based methods cannot detect VBNC

  5. MX Siting Investigation. Water Resources Program Industry Activity Inventory, Nevada-Utah.

    DTIC Science & Technology

    1980-09-02

    Agua Caliente Existing 150 gpm *One of five sites shown on Plate II may be the site of this project. There are also three additional sites outside the...SOURCE: Wells WATER RECIRCULATED: 80%, hopefully WATER QUALITY: POTABLE : STOCK AGRICULTURE OTHER ? OPERATION - REOPENED: Reopened NEW: WATER...year _________ TYPE OF BENEFICIAL USE: __ * ~~WATER SOURCE: ____-____ WATER RECIRCULATED: ___ _____ WATER QUALITY: POTABLE : STOCK ___AGRICULTURE

  6. Key Role of Active-Site Water Molecules in Bacteriorhodopsin Proton-Transfer Reactions

    SciTech Connect

    Bondar, A.N.; Baudry, Jerome Y; Suhai, Sandor; Fischer, S.; Smith, Jeremy C

    2008-10-01

    The functional mechanism of the light-driven proton pump protein bacteriorhodopsin depends on the location of water molecules in the active site at various stages of the photocycle and on their roles in the proton-transfer steps. Here, free energy computations indicate that electrostatic interactions favor the presence of a cytoplasmic-side water molecule hydrogen bonding to the retinal Schiff base in the state preceding proton transfer from the retinal Schiff base to Asp85. However, the nonequilibrium nature of the pumping process means that the probability of occupancy of a water molecule in a given site depends both on the free energies of insertion of the water molecule in this and other sites during the preceding photocycle steps and on the kinetic accessibility of these sites on the time scale of the reaction steps. The presence of the cytoplasmic-side water molecule has a dramatic effect on the mechanism of proton transfer: the proton is channeled on the Thr89 side of the retinal, whereas the transfer on the Asp212 side is hindered. Reaction-path simulations and molecular dynamics simulations indicate that the presence of the cytoplasmic-side water molecule permits a low-energy bacteriorhodopsin conformer in which the water molecule bridges the twisted retinal Schiff base and the proton acceptor Asp85. From this low-energy conformer, proton transfer occurs via a concerted mechanism in which the water molecule participates as an intermediate proton carrier.

  7. Molecular mimicry of substrate oxygen atoms by water molecules in the beta-amylase active site.

    PubMed

    Pujadas, G; Palau, J

    2001-08-01

    Soybean beta-amylase (EC 3.2.1.2) has been crystallized both free and complexed with a variety of ligands. Four water molecules in the free-enzyme catalytic cleft form a multihydrogen-bond network with eight strategic residues involved in enzyme-ligand hydrogen bonds. We show here that the positions of these four water molecules are coincident with the positions of four potential oxygen atoms of the ligands within the complex. Some of these waters are displaced from the active site when the ligands bind to the enzyme. How many are displaced depends on the shape of the ligand. This means that when one of the four positions is not occupied by a ligand oxygen atom, the corresponding water remains. We studied the functional/structural role of these four waters and conclude that their presence means that the conformation of the eight side chains is fixed in all situations (free or complexed enzyme) and preserved from unwanted or forbidden conformational changes that could hamper the catalytic mechanism. The water structure at the active pocket of beta-amylase is therefore essential for providing the ligand recognition process with plasticity. It does not affect the protein active-site geometry and preserves the overall hydrogen-bonding network, irrespective of which ligand is bound to the enzyme. We also investigated whether other enzymes showed a similar role for water. Finally, we discuss the potential use of these results for predicting whether water molecules can mimic ligand atoms in the active center.

  8. The influence of small-mammal burrowing activity on water storage at the Hanford Site

    SciTech Connect

    Landeen, D.S.

    1994-12-31

    This paper summarizes the activities that were conducted in support of the long-term surface barrier development program by Westinghouse Hanford Company to determine the degree that small-mammal burrow systems affect the loss or retention of water in the soils at the Hanford Site in Washington state. An animal intrusion lysimeter facility was constructed, consisting of two outer boxes buried at grade, which served as receptacles for six animal intrusion lysimeters. Small burrowing animals common the Hanford Site were introduced over a 3- to 4-month period. Supplemental precipitation was added monthly to three of the lysimeters with a rainfall simulator (rainulator). Information collected from the five tests indicated that (1) during summer months, water was lost in all the lysimeters, including the supplemental precipitation added with the rainulator; and (2) during winter months, all lysimeters gained water. The data indicate little difference in the amount of water stored between control and animal lysimeters. The overall water loss was attributed to surface evaporation, a process that occurred equally in control and treatment lysimeters. Other causes of water loss are a result of (1) constant soil turnover and subsequent drying, and (2) burrow ventilation effects. This suggests that burrow systems will not contribute to any significant water storage at depth and, in fact, may enhance the removal of water from the soil.

  9. Site-specific profiles of estrogenic activity in agricultural areas of California's inland waters.

    PubMed

    Lavado, Ramon; Loyo-Rosales, Jorge E; Floyd, Emily; Kolodziej, Edward P; Snyder, Shane A; Sedlak, David L; Schlenk, Daniel

    2009-12-15

    To evaluate the occurrence and sources of compounds capable of feminizing fish in agriculturally impacted waterways of the Central Valley of California, water samples were extracted and subjected to chemical analyses as well as in vitro and in vivo measurements of vitellogenin in juvenile rainbow trout (Oncorhynchus mykiss). Among the 16 sites sampled, 6 locations frequently exhibited elevated concentrations of estrogenic substances with 17beta-estradiol equivalents up to 242 ng/L in vitro and 12 microg/kg in vivo. The patterns of activity varied among sites, with two sites showing elevated activity only in vitro, two showing elevated activity only in vivo, and two showing elevated activity in both assays. Sequential elution of solid-phase extraction (SPE) disks followed by bioassay-guided fractionation was used to characterize water samples from the two locations where activity was observed in both bioassays. The highest estrogenic activity was observed in the most nonpolar fractions (80-100% methanol eluent) from the Napa River, while most of the activity in the Sacramento River Delta eluted in the 60% methanol eluent. Quantitative analyses of SPE extracts and additional HPLC fractionation of the SPE extracts by GC-MS/MS and LC-MS/MS indicated concentrations of steroid hormones, alkylphenol polyethoxylates, and herbicides that were at least 1-3 orders of magnitude below bioassay 17beta-estradiol equivalent calculations. Given the different patterns of activity and chemical properties of the estrogenic compounds, it appears that estrogenic activity in these agriculturally impacted surface waters is attributable to multiple compounds. Further investigation is needed to identify the compounds causing the estrogenic activity and to determine the potential impacts of these compounds on feral fish.

  10. The influence of small mammal burrowing activity on water storage at the Hanford Site

    SciTech Connect

    Landeen, D.S.

    1994-09-01

    The amount and rate at which water may penetrate a protective barrier and come into contact with buried radioactive waste is a major concern. Because burrowing animals eventually will reside on the surface of any protective barrier, the effect these burrow systems may have on the loss or retention of water needs to be determined. The first section of this document summarizes the known literature relative to small mammals and the effects that burrowing activities have on water distribution, infiltration, and the overall impact of burrows on the ecosystem. Topics that are summarized include burrow air pressures, airflow, burrow humidity, microtopography, mounding, infiltration, climate, soil evaporation, and discussions of large pores relative to water distribution. The second section of this document provides the results of the study that was conducted at the Hanford Site to determine what effect small mammal burrows have on water storage. This Biointrusion task is identified in the Permanent Isolation Surface Barrier Development Plan in support of protective barriers. This particular animal intrusion task is one part of the overall animal intrusion task identified in Animal Intrusion Test Plan.

  11. Hydrogen production by the naked active site of the di-iron hydrogenases in water.

    PubMed

    Zipoli, Federico; Car, Roberto; Cohen, Morrel H; Selloni, Annabella

    2009-10-01

    We explored the reactivity of the active center of the [FeFe]-hydrogenases detached from the enzyme and immersed in acidified water by first-principles Car-Parrinello molecular-dynamics simulations. We focused on the identification of the structures that are stable and metastable in acidified water and on their activity for hydrogen production. Our calculations revealed that the naked active center could be an efficient catalyst provided that electrons are transferred to the cluster. We found that both bridging and terminal isomers are present at equilibrium and that the bridging configuration is essential for efficient hydrogen production. The formation of the hydrogen molecule occurs via sequential protonations of the distal iron and of the N-atom of the S-CH(2)-NH-CH(2)-S chelating group. H(2) desorption does not involve a significant energy barrier, making the process very efficient at room temperature. We established that the bottleneck in the reaction is the direct proton transfer from water to the vacant site of the distal iron. Moreover, we found that even if the terminal isomer is present at the equilibrium, its strong local hydrophobicity prevents poisoning of the cluster.

  12. AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking.

    PubMed

    Uehara, Shota; Tanaka, Shigenori

    2016-11-23

    Water plays a significant role in the binding process between protein and ligand. However, the thermodynamics of water molecules are often underestimated, or even ignored, in protein-ligand docking. Usually, the free energies of active-site water molecules are substantially different from those of waters in the bulk region. The binding of a ligand to a protein causes a displacement of these waters from an active site to bulk, and this displacement process substantially contributes to the free energy change of protein-ligand binding. The free energy of active-site water molecules can be calculated by grid inhomogeneous solvation theory (GIST), using molecular dynamics (MD) and the trajectory of a target protein and water molecules. Here, we show a case study of the combination of GIST and a docking program and discuss the effectiveness of the displacing gain of unfavorable water in protein-ligand docking. We combined the GIST-based desolvation function with the scoring function of AutoDock4, which is called AutoDock-GIST. The proposed scoring function was assessed employing 51 ligands of coagulation factor Xa (FXa), and results showed that both scoring accuracy and docking success rate were improved. We also evaluated virtual screening performance of AutoDock-GIST using FXa ligands in the directory of useful decoys-enhanced (DUD-E), thus finding that the displacing gain of unfavorable water is effective for a successful docking campaign.

  13. Endocrine disrupting activities of surface water associated with a West Virginia oil and gas industry wastewater disposal site.

    PubMed

    Kassotis, Christopher D; Iwanowicz, Luke R; Akob, Denise M; Cozzarelli, Isabelle M; Mumford, Adam C; Orem, William H; Nagel, Susan C

    2016-07-01

    Currently, >95% of end disposal of hydraulic fracturing wastewater from unconventional oil and gas operations in the US occurs via injection wells. Key data gaps exist in understanding the potential impact of underground injection on surface water quality and environmental health. The goal of this study was to assess endocrine disrupting activity in surface water at a West Virginia injection well disposal site. Water samples were collected from a background site in the area and upstream, on, and downstream of the disposal facility. Samples were solid-phase extracted, and extracts assessed for agonist and antagonist hormonal activities for five hormone receptors in mammalian and yeast reporter gene assays. Compared to reference water extracts upstream and distal to the disposal well, samples collected adjacent and downstream exhibited considerably higher antagonist activity for the estrogen, androgen, progesterone, glucocorticoid and thyroid hormone receptors. In contrast, low levels of agonist activity were measured in upstream/distal sites, and were inhibited or absent at downstream sites with significant antagonism. Concurrent analyses by partner laboratories (published separately) describe the analytical and geochemical profiling of the water; elevated conductivity as well as high sodium, chloride, strontium, and barium concentrations indicate impacts due to handling of unconventional oil and gas wastewater. Notably, antagonist activities in downstream samples were at equivalent authentic standard concentrations known to disrupt reproduction and/or development in aquatic animals. Given the widespread use of injection wells for end-disposal of hydraulic fracturing wastewater, these data raise concerns for human and animal health nearby.

  14. Endocrine disrupting activities of surface water associated with a West Virginia oil and gas industry wastewater disposal site

    USGS Publications Warehouse

    Kassotis, Christopher D.; Iwanowicz, Luke R.; Akob, Denise M.; Cozzarelli, Isabelle M.; Mumford, Adam; Orem, William H.; Nagel, Susan C.

    2016-01-01

    Currently, >95% of end disposal of hydraulic fracturing wastewater from unconventional oil and gas operations in the US occurs via injection wells. Key data gaps exist in understanding the potential impact of underground injection on surface water quality and environmental health. The goal of this study was to assess endocrine disrupting activity in surface water at a West Virginia injection well disposal site. Water samples were collected from a background site in the area and upstream, on, and downstream of the disposal facility. Samples were solid-phase extracted, and extracts assessed for agonist and antagonist hormonal activities for five hormone receptors in mammalian and yeast reporter gene assays. Compared to reference water extracts upstream and distal to the disposal well, samples collected adjacent and downstream exhibited considerably higher antagonist activity for the estrogen, androgen, progesterone, glucocorticoid and thyroid hormone receptors. In contrast, low levels of agonist activity were measured in upstream/distal sites, and were inhibited or absent at downstream sites with significant antagonism. Concurrent analyses by partner laboratories (published separately) describe the analytical and geochemical profiling of the water; elevated conductivity as well as high sodium, chloride, strontium, and barium concentrations indicate impacts due to handling of unconventional oil and gas wastewater. Notably, antagonist activities in downstream samples were at equivalent authentic standard concentrations known to disrupt reproduction and/or development in aquatic animals. Given the widespread use of injection wells for end-disposal of hydraulic fracturing wastewater, these data raise concerns for human and animal health nearby.

  15. Effects of protein flexibility and active site water molecules on the prediction of sites of metabolism for cytochrome P450 2C19 substrates.

    PubMed

    Li, Junhao; Cai, Jinya; Su, Haixia; Du, Hanwen; Zhang, Juan; Ding, Shihui; Liu, Guixia; Tang, Yun; Li, Weihua

    2016-03-01

    Structure-based prediction of sites of metabolism (SOMs) mediated by cytochrome P450s (CYPs) is of great interest in drug discovery and development. However, protein flexibility and active site water molecules remain a challenge for accurate SOM prediction. CYP2C19 is one of the major drug-metabolizing enzymes and has attracted considerable attention because of its polymorphism and capability of metabolizing ∼7% clinically used drugs. In this study, we systematically evaluated the effects of protein flexibility and active site water molecules on SOM prediction for CYP2C19 substrates. Multiple conformational sampling techniques including GOLD flexible residues sampling, molecular dynamics (MD) and tCONCOORD side-chain sampling were adopted for assessing the influence of protein flexibility on SOM prediction. The prediction accuracy could be significantly improved when protein flexibility was considered using the tCONCOORD sampling method, which indicated that the side-chain conformation was important for accurate prediction. However, the inclusion of the crystallographic or MD-derived water molecule(s) does not necessarily improve the prediction accuracy. Finally, a combination of docking results with SMARTCyp was found to be able to increase the SOM prediction accuracy.

  16. Impact of seawater-quality and water treatment procedures on the active bacterial assemblages at two desalination sites.

    PubMed

    Manes, C-L de O; Barbe, C; West, N J; Rapenne, S; Lebaron, P

    2011-07-15

    Inorganic and organic compounds, particles and microorganisms in intake waters are mainly responsible for fouling of reverse osmosis membranes, which reduces the efficiency of the desalination process. The characterization of seawater quality to better predict its fouling potential remains a challenge for the desalination field and little is known about the seasonal variability of water quality parameters in the coastal waters used to supply desalination plants. In this study, standard water quality methods were combined with flow cytometry and molecular methods (16S rRNA sequencing and fingerprinting) to assess in parallel, the physicochemical properties, the microbial abundance and the active microbial community composition of the intake waters and their associated pretreated waters at two desalination sites from July 2007 to July 2008. The overall assessment of quality parameters revealed that microfiltration followed by slow sand filtration were the most efficient in removing microorganisms than the conventional dual media filtration routinely used in full-scale desalination plants, and that all treatments were inefficient for organic matter reduction. Temporal variation of the environmental parameters such as temperature, turbidity and silt density index only moderately affected the bacterial community structure in raw waters, but that interestingly, water treatment compartments changed the composition and diversity of the metabolically active bacterial populations and thus create distinct ecological post-treatment niches.

  17. Applicability of rapid and on-site measured enzyme activity for surface water quality monitoring in an agricultural catchment

    NASA Astrophysics Data System (ADS)

    Stadler, Philipp; Farnleitner, Andreas H.; Sommer, Regina; Kumpan, Monika; Zessner, Matthias

    2014-05-01

    For the near real time and on-site detection of microbiological fecal pollution of water, the measurement of beta-D- Glucuronidase (GLUC) enzymatic activity has been suggested as a surrogate parameter and has been already successfully operated for water quality monitoring of ground water resources (Ryzinska-Paier et al. 2014). Due to possible short measure intervals of three hours, this method has high potential as a water quality monitoring tool. While cultivation based standard determination takes more than one working day (Cabral 2010) the potential advantage of detecting the GLUC activity is the high temporal measuring resolution. Yet, there is still a big gap of knowledge on the fecal indication capacity of GLUC (specificity, sensitivity, persistence, etc.) in relation to potential pollution sources and catchment conditions (Cabral 2010, Ryzinska-Paier et al. 2014). Furthermore surface waters are a big challenge for automated detection devices in a technical point of view due to the high sediment load during event conditions. This presentation shows results gained form two years of monitoring in an experimental catchment (HOAL) dominated by agricultural land use. Two enzymatic measurement devices are operated parallel at the catchment outlet to test the reproducibility and precision of the method. Data from continuous GLUC monitoring under both base flow and event conditions is compared with reference samples analyzed by standardized laboratory methods for fecal pollution detection (e.g. ISO 16649-1, Colilert18). It is shown that rapid enzymatic on-site GLUC determination can successfully be operated from a technical point of view for surface water quality monitoring under the observed catchment conditions. The comparison of enzyme activity with microbiological standard analytics reveals distinct differences in the dynamic of the signals during event conditions. Cabral J. P. S. (2010) "Water Microbiology. Bacterial Pathogens and Water" International Journal of

  18. Ligand uptake in Mycobacterium tuberculosis truncated hemoglobins is controlled by both internal tunnels and active site water molecules

    PubMed Central

    Davidge, Kelly S; Singh, Sandip; Bowman, Lesley AH; Tinajero-Trejo, Mariana; Carballal, Sebastián; Radi, Rafael; Poole, Robert K; Dikshit, Kanak; Estrin, Dario A; Marti, Marcelo A; Boechi, Leonardo

    2015-01-01

    Mycobacterium tuberculosis, the causative agent of human tuberculosis, has two proteins belonging to the truncated hemoglobin (trHb) family. Mt-trHbN presents well-defined internal hydrophobic tunnels that allow O 2 and •NO to migrate easily from the solvent to the active site, whereas Mt-trHbO possesses tunnels that are partially blocked by a few bulky residues, particularly a tryptophan at position G8. Differential ligand migration rates allow Mt-trHbN to detoxify •NO, a crucial step for pathogen survival once under attack by the immune system, much more efficiently than Mt-trHbO. In order to investigate the differences between these proteins, we performed experimental kinetic measurements, •NO decomposition, as well as molecular dynamics simulations of the wild type Mt-trHbN and two mutants, VG8F and VG8W. These mutations introduce modifications in both tunnel topologies and affect the incoming ligand capacity to displace retained water molecules at the active site. We found that a single mutation allows Mt-trHbN to acquire ligand migration rates comparable to those observed for Mt-trHbO, confirming that ligand migration is regulated by the internal tunnel architecture as well as by water molecules stabilized in the active site. PMID:26478812

  19. Active microwave water equivalence

    NASA Technical Reports Server (NTRS)

    Boyne, H. S.; Ellerbruch, D. A.

    1980-01-01

    Measurements of water equivalence using an active FM-CW microwave system were conducted over the past three years at various sites in Colorado, Wyoming, and California. The measurement method is described. Measurements of water equivalence and stratigraphy are compared with ground truth. A comparison of microwave, federal sampler, and snow pillow measurements at three sites in Colorado is described.

  20. Photocatalytic Properties of TiO2: Evidence of the Key Role of Surface Active Sites in Water Oxidation.

    PubMed

    Bak, Tadeusz; Li, Wenxian; Nowotny, Janusz; Atanacio, Armand J; Davis, Joel

    2015-09-10

    Photocatalytic activity of oxide semiconductors is commonly considered in terms of the effect of the band gap on the light-induced performance. The present work considers a combined effect of several key performance-related properties (KPPs) on photocatalytic activity of TiO2 (rutile), including the chemical potential of electrons (Fermi level), the concentration of surface active sites, and charge transport, in addition to the band gap. The KPPs have been modified using defect engineering. This approach led to imposition of different defect disorders and the associated KPPs, which are defect-related. This work shows, for the first time, a competitive influence of different KPPs on photocatalytic activity that was tested using oxidation of methylene blue (MB). It is shown that the increase of oxygen activity in the TiO2 lattice from 10(-12) Pa to 10(5) Pa results in (i) increase in the band gap from 2.42 to 2.91 eV (direct transitions) or 2.88 to 3 eV (indirect transitions), (ii) increase in the population of surface active sites, (iii) decrease of the Fermi level, and (iv) decrease of the charge transport. It is shown that the observed changes in the photocatalytic activity are determined by two dominant KPPs: the concentration of active surface sites and the Fermi level, while the band gap and charge transport have a minor effect on the photocatalytic performance. The effect of the defect-related properties on photoreactivity of TiO2 with water is considered in terms of a theoretical model offering molecular-level insight into the process.

  1. List 9 - Active CERCLIS Sites:

    EPA Pesticide Factsheets

    The List 9 displays the sequence of activities undertaken at active CERCLIS sites. An active site is one at which site assessment, removal, remedial, enforcement, cost recovery, or oversight activities are being planned or conducted.

  2. Interaction of on-site and near real time measured turbidity and enzyme activity in stream water.

    NASA Astrophysics Data System (ADS)

    Stadler, Philipp; Farnleitner, Andreas H.; Zessner, Matthias

    2013-04-01

    On-site and on-line systems that provide an integrated surveillance of physicochemical and microbiological parameters gain significance in water quality monitoring. Particular relating to diffuse pollution from agricultural areas and use-orientated protection of waters the detection of faecal pollution is a fundamental part. For the near real time and on-site detection of microbiological faecal pollution of water, the beta-D- Glucuronidase (GLUC) enzymatic activity has been suggested as a surrogate parameter. Due to possible short measure intervals of three hours, this method has high potential as a water quality monitoring tool. While cultivation based standard determination takes more than one working day (Cabral 2010) the potential advantage of detecting the GLUC activity is the high temporal measuring resolution. Yet, there is still a big gap of knowledge on the sensitivity and specificity concerning the faecal indication capacity of GLUC in relation to standard assays (Cabral 2010). Interference effects of physicochemical parameters on the enzymatic activity respectively fluorescence have been discussed (Molina-Munoz et al. 2007; Tryland and Fiksdal 1998, Biswal et al. 2003). Results from a monitoring of a rivulet in an agricultural catchment in Lower Austria (HOAL - Hydrological Open Air Laboratory) are presented here. The HOAL offers technical resources that allow measurements at high temporal and spatial resolution and to apply various hydrological methods in one catchment. Two automated enzymatic measuring devices (Coliguard, mbOnline, Austria) and physicochemical in-stream measurements are used, as well as in-stream spectroscopy (spectrolyser, s::can, Austria). Accuracy of both enzymatic measuring devices is compared through diverse hydrological and seasonal conditions. Reference analyses by cultivation based determination were performed. Data from Coliguard devices is combined with physicochemical and spectroscopy data to gain information about the

  3. The Role of Water Activity and Capillarity in Partially Saturated Porous Media at Geologic CO2 Storage Sites

    NASA Astrophysics Data System (ADS)

    Heath, J. E.; Bryan, C. R.; Matteo, E. N.; Dewers, T. A.; Wang, Y.

    2012-12-01

    The activity of water in supercritical CO2 may affect performance of geologic CO2 storage, including CO2 injectivity, and shrink-swell properties and sealing efficiency of clayey caprocks. We present a pore-scale unit cell model of water film adsorption and capillary condensation as an explicit function of water activity in supercritical CO2. This model estimates water film configuration in slit to other pore shapes with edges and corners. With the model, we investigate water saturation in porous media in mineral-CO2-water systems under different water activities. Maximum water activities in equilibrium with an aqueous phase are significantly less than unity due to dissolution of CO2 in water (i.e., the mole fraction of water in the aqueous phase is much less than one) and variable dissolved salt concentration. The unit cell approach is used to upscale from the single pore to the core-sample-scale, giving saturation curves as a function of water activity in the supercritical phase and the texture of the porous media. We evaluate the model and the importance of water activity through ongoing small angle neutron scattering experiments and other column experiments, which investigate shrink-swell properties and capillarity under realistic in situ stresses. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  4. Litter type affects the activity of aerobic decomposers in a boreal peatland more than site nutrient and water table regimes

    NASA Astrophysics Data System (ADS)

    Straková, P.; Niemi, R. M.; Freeman, C.; Peltoniemi, K.; Toberman, H.; Heiskanen, I.; Fritze, H.; Laiho, R.

    2011-09-01

    Peatlands are carbon (C) storage ecosystems sustained by a high water table (WT). High WT creates anoxic conditions that suppress the activity of aerobic decomposers and provide conditions for peat accumulation. Peatland function can be dramatically affected by WT drawdown caused by climate and/or land-use change. Aerobic decomposers are directly affected by WT drawdown through environmental factors such as increased oxygenation and nutrient availability. Additionally, they are indirectly affected via changes in plant community composition and litter quality. We studied the relative importance of direct and indirect effects of WT drawdown on aerobic decomposer activity in plant litter at two stages of decomposition (incubated in the field for 1 or 2 years). We did this by profiling 11 extracellular enzymes involved in the mineralization of organic C, nitrogen (N), phosphorus (P) and sulphur. Our study sites represented a three-stage chronosequence from pristine to short-term (years) and long-term (decades) WT drawdown conditions under two nutrient regimes (bog and fen). The litter types included reflected the prevalent vegetation: Sphagnum mosses, graminoids, shrubs and trees. Litter type was the main factor shaping microbial activity patterns and explained about 30 % of the variation in enzyme activities and activity allocation. Overall, enzyme activities were higher in vascular plant litters compared to Sphagnum litters, and the allocation of enzyme activities towards C or nutrient acquisition was related to the initial litter quality (chemical composition). Direct effects of WT regime, site nutrient regime and litter decomposition stage (length of incubation period) summed to only about 40 % of the litter type effect. WT regime alone explained about 5 % of the variation in enzyme activities and activity allocation. Generally, enzyme activity increased following the long-term WT drawdown and the activity allocation turned from P and N acquisition towards C

  5. Hanford site ground water protection management plan

    SciTech Connect

    Not Available

    1994-10-01

    Ground water protection at the Hanford Site consists of preventative and remedial measures that are implemented in compliance with a variety of environmental regulations at local, state, and federal levels. These measures seek to ensure that the resource can sustain a broad range of beneficial uses. To effectively coordinate and ensure compliance with applicable regulations, the U.S. Department of Energy has issued DOE Order 5400.1 (DOE 1988a). This order requires all U.S. Department of Energy facilities to prepare separate ground water protection program descriptions and plans. This document describes the Ground Water Protection Management Plan (GPMP) for the Hanford Site located in the state of Washington. DOE Order 5400.1 specifies that the GPMP covers the following general topical areas: (1) documentation of the ground water regime; (2) design and implementation of a ground water monitoring program to support resource management and comply with applicable laws and regulations; (3) a management program for ground water protection and remediation; (4) a summary and identification of areas that may be contaminated with hazardous waste; (5) strategies for controlling hazardous waste sources; (6) a remedial action program; and (7) decontamination, decommissioning, and related remedial action requirements. Many of the above elements are currently covered by existing programs at the Hanford Site; thus, one of the primary purposes of this document is to provide a framework for coordination of existing ground water protection activities. The GPMP provides the ground water protection policy and strategies for ground water protection/management at the Hanford Site, as well as an implementation plan to improve coordination of site ground water activities.

  6. Examination of metals from aerospace-related activity in surface water samples from sites surrounding the Kennedy Space Center (KSC), Florida.

    PubMed

    Bowden, John A; Cantu, Theresa M; Scheidt, Douglas M; Lowers, Russell H; Nocito, Brian A; Young, Vaneica Y; Guillette, Louis J

    2014-05-06

    Metal contamination from Space Shuttle launch activity was examined using inductively coupled plasma-atomic emission spectroscopy in a two-tier study sampling surface water collected from several sites at the Kennedy Space Center (KSC) and associated Merritt Island National Wildlife Refuge in east central Florida. The primary study examined both temporal changes in baseline metal concentrations (19 metals) in surface water (1996 to 2009, 11 sites) samples collected at specific long-term monitoring sites and metal deposition directly associated with Space Shuttle launch activity at two Launch Complexes (LC39A and LC39B). A secondary study examined metal concentrations at additional sites and increased the amount of elements measured to 48 elements. Our examination places a heavy focus on those metals commonly associated with launch operations (e.g., Al, Fe, Mn, and Zn), but a brief discussion of other metals (As, Cu, Mo, Ni, and Pb) is also included. While no observable accumulation of metals occurred during the time period of the study, the data obtained postlaunch demonstrated a dramatic increase for Al, Fe, Mn, and Zn. Comparing overall trends between the primary and secondary baseline surface water concentrations, elevated concentrations were generally observed at sampling stations located near the launch complexes and from sites isolated from major water systems. While there could be several natural and anthropogenic sources for metal deposition at KSC, the data in this report indicate that shuttle launch events are a significant source.

  7. A strategy for the incorporation of water molecules present in a ligand binding site into a three-dimensional quantitative structure--activity relationship analysis.

    PubMed

    Pastor, M; Cruciani, G; Watson, K A

    1997-12-05

    Water present in a ligand binding site of a protein has been recognized to play a major role in ligand-protein interactions. To date, rational drug design techniques do not usually incorporate the effect of these water molecules into the design strategy. This work represents a new strategy for including water molecules into a three-dimensional quantitative structure-activity relationship analysis using a set of glucose analogue inhibitors of glycogen phosphorylase (GP). In this series, the structures of the ligand-enzyme complexes have been solved by X-ray crystallography, and the positions of the ligands and the water molecules at the ligand binding site are known. For the structure-activity analysis, some water molecules adjacent to the ligands were included into an assembly which encompasses both the inhibitor and the water involved in the ligand-enzyme interaction. The mobility of some water molecules at the ligand binding site of GP gives rise to differences in the ligand-water assembly which have been accounted for using a simulation study involving force-field energy calculations. The assembly of ligand plus water was used in a GRID/GOLPE analysis, and the models obtained compare favorably with equivalent models when water was excluded. Both models were analyzed in detail and compared with the crystallographic structures of the ligand-enzyme complexes in order to evaluate their ability to reproduce the experimental observations. The results demonstrate that incorporation of water molecules into the analysis improves the predictive ability of the models and makes them easier to interpret. The information obtained from interpretation of the models is in good agreement with the conclusions derived from the structural analysis of the complexes and offers valuable insights into new characteristics of the ligands which may be exploited for the design of more potent inhibitors.

  8. Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.

    PubMed

    Hylsová, Michaela; Carbain, Benoit; Fanfrlík, Jindřich; Musilová, Lenka; Haldar, Susanta; Köprülüoğlu, Cemal; Ajani, Haresh; Brahmkshatriya, Pathik S; Jorda, Radek; Kryštof, Vladimír; Hobza, Pavel; Echalier, Aude; Paruch, Kamil; Lepšík, Martin

    2017-01-27

    We present comprehensive testing of solvent representation in quantum mechanics (QM)-based scoring of protein-ligand affinities. To this aim, we prepared 21 new inhibitors of cyclin-dependent kinase 2 (CDK2) with the pyrazolo[1,5-a]pyrimidine core, whose activities spanned three orders of magnitude. The crystal structure of a potent inhibitor bound to the active CDK2/cyclin A complex revealed that the biphenyl substituent at position 5 of the pyrazolo[1,5-a]pyrimidine scaffold was located in a previously unexplored pocket and that six water molecules resided in the active site. Using molecular dynamics, protein-ligand interactions and active-site water H-bond networks as well as thermodynamics were probed. Thereafter, all the inhibitors were scored by the QM approach utilizing the COSMO implicit solvent model. Such a standard treatment failed to produce a correlation with the experiment (R(2) = 0.49). However, the addition of the active-site waters resulted in significant improvement (R(2) = 0.68). The activities of the compounds could thus be interpreted by taking into account their specific noncovalent interactions with CDK2 and the active-site waters. In summary, using a combination of several experimental and theoretical approaches we demonstrate that the inclusion of explicit solvent effects enhance QM/COSMO scoring to produce a reliable structure-activity relationship with physical insights. More generally, this approach is envisioned to contribute to increased accuracy of the computational design of novel inhibitors.

  9. The cooperative effect between active site ionized groups and water desolvation controls the alteration of acid/base catalysis in serine proteases.

    PubMed

    Shokhen, Michael; Khazanov, Netaly; Albeck, Amnon

    2007-08-13

    What is the driving force that alters the catalytic function of His57 in serine proteases between general base and general acid in each step along the enzymatic reaction? The stable tetrahedral complexes (TC) of chymotrypsin with trifluoromethyl ketone transition state analogue inhibitors are topologically similar to the catalytic transition state. Therefore, they can serve as a good model to study the enzyme catalytic reaction. We used DFT quantum mechanical calculations to analyze the effect of solvation and of polar factors in the active site of chymotrypsin on the pKa of the catalytic histidine in FE (the free enzyme), EI (the noncovalent enzyme inhibitor complex), and TC. We demonstrated that the acid/base alteration is controlled by the charged groups in the active site--the catalytic Asp102 carboxylate and the oxyanion. The effect of these groups on the catalytic His is modulated by water solvation of the active site.

  10. The structures of RNase A complexed with 3'-CMP and d(CpA): active site conformation and conserved water molecules.

    PubMed Central

    Zegers, I.; Maes, D.; Dao-Thi, M. H.; Poortmans, F.; Palmer, R.; Wyns, L.

    1994-01-01

    The interactions of RNase A with cytidine 3'-monophosphate (3'-CMP) and deoxycytidyl-3',5'-deoxyadenosine (d(CpA)) were analyzed by X-ray crystallography. The 3'-CMP complex and the native structure were determined from trigonal crystals, and the d(CpA) complex from monoclinic crystals. The differences between the overall structures are concentrated in loop regions and are relatively small. The protein-inhibitor contacts are interpreted in terms of the catalytic mechanism. The general base His 12 interacts with the 2' oxygen, as does the electrostatic catalyst Lys 41. The general acid His 119 has 2 conformations (A and B) in the native structure and is found in, respectively, the A and the B conformation in the d(CpA) and the 3'-CMP complex. From the present structures and from a comparison with RNase T1, we propose that His 119 is active in the A conformation. The structure of the d(CpA) complex permits a detailed analysis of the downstream binding site, which includes His 119 and Asn 71. The comparison of the present RNase A structures with an inhibitor complex of RNase T1 shows that there are important similarities in the active sites of these 2 enzymes, despite the absence of any sequence homology. The water molecules were analyzed in order to identify conserved water sites. Seventeen water sites were found to be conserved in RNase A structures from 5 different space groups. It is proposed that 7 of those water molecules play a role in the binding of the N-terminal helix to the rest of the protein and in the stabilization of the active site. PMID:7756988

  11. Effect of impregnation protocol in the metallic sites of Pt-Ag/activated carbon catalysts for water denitration

    NASA Astrophysics Data System (ADS)

    Aristizábal, A.; Contreras, S.; Divins, N. J.; Llorca, J.; Medina, F.

    2014-04-01

    The influence of the Pt precursor and the impregnation protocol in the catalytic behavior of 3%Pt-1.5%Ag supported on activated carbon for water denitration in a continuous reactor was studied. Pt(NH3)4(NO3)2 and H2PtCl6 were selected as Pt precursors. Five protocols were investigated: sequential impregnations (both sequences), co-impregnation, physical mixture of monometallic catalysts, and physical mixture of a bimetallic catalyst with a Pt monometallic catalyst. The samples were characterized by XRD, XPS, TPR, HRTEM and physisorption. It was found that the catalytic activity strongly depends on the synthesis protocol and the Pt precursor, which modify the particle size. Higher nitrate rates are achieved using H2PtCl6 than Pt(NH3)4(NO3)2; this is mainly related to the smaller metal particle size of the former, evidenced by HRTEM. Nitrate consumption rate is directly related with the mean particle size. The physical mixture of monometallic catalysts resulted in the highest nitrogen rate.

  12. Salt site performance assessment activities

    SciTech Connect

    Kircher, J.F.; Gupta, S.K.

    1983-01-01

    During this year the first selection of the tools (codes) for performance assessments of potential salt sites have been tentatively selected and documented; the emphasis has shifted from code development to applications. During this period prior to detailed characterization of a salt site, the focus is on bounding calculations, sensitivity and with the data available. The development and application of improved methods for sensitivity and uncertainty analysis is a focus for the coming years activities and the subject of a following paper in these proceedings. Although the assessments to date are preliminary and based on admittedly scant data, the results indicate that suitable salt sites can be identified and repository subsystems designed which will meet the established criteria for protecting the health and safety of the public. 36 references, 5 figures, 2 tables.

  13. Nevada test site water-supply wells

    SciTech Connect

    Gillespie, D.; Donithan, D.; Seaber, P.

    1996-05-01

    A total of 15 water-supply wells are currently being used at the Nevada Test Site (NTS). The purpose of this report is to bring together the information gleaned from investigations of these water-supply wells. This report should serve as a reference on well construction and completion, static water levels, lithologic and hydrologic characteristics of aquifers penetrated, and general water quality of water-supply wells at the NTS. Possible sources for contamination of the water-supply wells are also evaluated. Existing wells and underground nuclear tests conducted near (within 25 meters (m)) or below the water table within 2 kilometers (km) of a water-supply were located and their hydrogeologic relationship to the water-supply well determined.

  14. ColiSense, today's sample today: A rapid on-site detection of β-D-Glucuronidase activity in surface water as a surrogate for E. coli.

    PubMed

    Heery, Brendan; Briciu-Burghina, Ciprian; Zhang, Dian; Duffy, Gillian; Brabazon, Dermot; O'Connor, Noel; Regan, Fiona

    2016-01-01

    A sensitive field-portable fluorimeter with incubating capability and triplicate sample chambers was designed and built. The system was optimised for the on-site analysis of E. coli in recreational waters using fluorescent based enzyme assays. The target analyte was β-D-Glucuronidase (GUS) which hydrolyses a synthetic substrate 6-Chloro-4-Methyl-Umbelliferyl-β-D-Glucuronide (6-CMUG) to release the fluorescent molecule 6-Chloro-4-Methyl-Umbelliferyl (6-CMU). The system was calibrated with 6-CMU standards. A LOD of 5 nM and a resolution of less than 1 nM was determined while enzyme kinetic tests showed detection of activities below 1 pmol min(-1) mL(-1) of sample. A field portable sample preparation, enzyme extraction protocol and continuous assay were applied with the system to analyse freshwater and marine samples. Results from a one day field trial are shown which demonstrated the ability of the system to deliver results on-site within a 75 min period.

  15. A common single-site Pt(II)-O(OH)x- species stabilized by sodium on "active" and "inert" supports catalyzes the water-gas shift reaction.

    PubMed

    Yang, Ming; Liu, Jilei; Lee, Sungsik; Zugic, Branko; Huang, Jun; Allard, Lawrence F; Flytzani-Stephanopoulos, Maria

    2015-03-18

    While it has long been known that different types of support oxides have different capabilities to anchor metals and thus tailor the catalytic behavior, it is not always clear whether the support is a mere carrier of the active metal site, itself not participating directly in the reaction pathway. We report that catalytically similar single-atom-centric Pt sites are formed by binding to sodium ions through -O ligands, the ensemble being equally effective on supports as diverse as TiO2, L-zeolites, and mesoporous silica MCM-41. Loading of 0.5 wt % Pt on all of these supports preserves the Pt in atomic dispersion as Pt(II), and the Pt-O(OH)x- species catalyzes the water-gas shift reaction from ∼120 to 400 °C. Since the effect of the support is "indirect," these findings pave the way for the use of a variety of earth-abundant supports as carriers of atomically dispersed platinum for applications in catalytic fuel-gas processing.

  16. Monitoring Environmental Recovery at Terminated Produced Water Discharge Sites in Coastal Louisiana Waters

    SciTech Connect

    Continental Shelf Associates, Inc.

    1999-08-16

    This report presents the results of a study of terminated produced water discharge sites in the coastal waters of Louisiana. Environmental recovery at the sites is documented by comparing pre-termination and post-termination (six months and one year) data. Produced water, sediments, and sediment interstitial water samples were analyzed for radionuclides, metals, and hydrocarbons. Benthic infauna were identified from samples collected in the vicinity of the discharge and reference sites. Radium isotope activities were determined in fish and crustacean samples. In addition, an environmental risk assessment is made on the basis of the concentrations of metals and hydrocarbons determined in the samples.

  17. High Plains Regional Ground-water Study web site

    USGS Publications Warehouse

    Qi, Sharon L.

    2000-01-01

    Now available on the Internet is a web site for the U.S. Geological Survey's (USGS) National Water-Quality Assessment (NAWQA) Program- High Plains Regional Ground-Water Study. The purpose of the web site is to provide public access to a wide variety of information on the USGS investigation of the ground-water resources within the High Plains aquifer system. Typical pages on the web site include the following: descriptions of the High Plains NAWQA, the National NAWQA Program, the study-area setting, current and past activities, significant findings, chemical and ancillary data (which can be downloaded), listing and access to publications, links to other sites about the High Plains area, and links to other web sites studying High Plains ground-water resources. The High Plains aquifer is a regional aquifer system that underlies 174,000 square miles in parts of eight States (Colorado, Kansas, Nebraska, New Mexico, Oklahoma, South Dakota, Texas, and Wyoming). Because the study area is so large, the Internet is an ideal way to provide project data and information on a near real-time basis. The web site will be a collection of living documents where project data and information are updated as it becomes available throughout the life of the project. If you have an interest in the High Plains area, you can check this site periodically to learn how the High Plains NAWQA activities are progressing over time and access new data and publications as they become available.

  18. Hanford Site ground-water monitoring for 1992

    SciTech Connect

    Dresel, P.E.; Newcomer, D.R.; Evans, J.C.; Webber, W.D.; Spane, F.A. Jr.; Raymond, R.G.; Opitz, B.E.

    1993-06-01

    Monitoring activities were conducted to determine the distribution of radionuclides and hazardous chemicals present in ground water as a result of Hanford Site operations and, whenever possible, relate the distribution of these constituents to Site operations. A total of 720 wells were sampled during 1992 by all Hanford ground-water monitoring activities. The Ground-Water Surveillance Project prepared water-table maps of DOE`s Hanford Site for June 1992 from water-level elevations measured in 287 wells across the Hanford Site and outlying areas. These maps are used to infer ground-water flow directions and gradients for the interpretation of contaminant transport. Water levels beneath the 200 Areas decreased as much as 0.75 m (2.5 ft) between December 1991 and December 1992. Water levels in the Cold Creek Valley decreased approximately 0.5 m in that same period. The water table adjacent to the Columbia River along the Hanford Reach continues to respond significantly to fluctuations in river stage. These responses were observed in the 100 and 300 areas. The elevation of the ground-water mound beneath B Pond did not change significantly between December 1991 and December 1992. However, water levels from one well located at the center of the mound indicate a water-level rise of approximately 0.3 m (1 ft) during the last quarter of 1992. Water levels measured from unconfined aquifer wells north and east of the Columbia River in 1992 indicate that the primary source of recharge is from irrigation practices.

  19. Probing the Hydrogen-Bonded Water Network at the Active Site of a Water Oxidation Catalyst: [Ru(bpy)(tpy)(H2O)](2+)·(H2O)(0-4).

    PubMed

    Duffy, Erin M; Marsh, Brett M; Garand, Etienne

    2015-06-18

    The infrared spectra of gas-phase mass-selected [Ru(bpy)(tpy)(H2O)](2+)·(H2O)(0-4) clusters (bpy = 2,2'-bipyridine; tpy = 2,2':6,2″-terpyridine) in the OH stretching region are reported. These species are formed by bringing the homogeneous water oxidation catalyst [Ru(bpy)(tpy)(H2O](2+) from solution into the gas phase via electrospray ionization (ESI) and reconstructing the water network at the active site by condensing additional water onto the complex in a cryogenic ion trap. Infrared predissociation spectroscopy is used to probe the structure of these clusters via their distinctive OH stretch frequencies, which are sensitive to the shape and strength of the local hydrogen-bonding network. The analysis of the spectra, aided by electronic structure calculations, highlights the formation of strong hydrogen bonds between the aqua ligand and the solvating water molecules in the first solvation shell. These interactions are found to propagate through the subsequent solvation shells and lead to the stabilization of asymmetric solvation motifs. Electronic structure calculations show that these strong hydrogen bonds are promoted by charge transfer from the H atom of the aqua ligand to the Ru-OH2 bond.

  20. Normal Modes Expose Active Sites in Enzymes

    PubMed Central

    Glantz-Gashai, Yitav; Samson, Abraham O.

    2016-01-01

    Accurate prediction of active sites is an important tool in bioinformatics. Here we present an improved structure based technique to expose active sites that is based on large changes of solvent accessibility accompanying normal mode dynamics. The technique which detects EXPOsure of active SITes through normal modEs is named EXPOSITE. The technique is trained using a small 133 enzyme dataset and tested using a large 845 enzyme dataset, both with known active site residues. EXPOSITE is also tested in a benchmark protein ligand dataset (PLD) comprising 48 proteins with and without bound ligands. EXPOSITE is shown to successfully locate the active site in most instances, and is found to be more accurate than other structure-based techniques. Interestingly, in several instances, the active site does not correspond to the largest pocket. EXPOSITE is advantageous due to its high precision and paves the way for structure based prediction of active site in enzymes. PMID:28002427

  1. Factors to be Considered in Long-Term Monitoring of a Former Nuclear Test Site in a Geophysically Active and Water-rich Environment

    NASA Astrophysics Data System (ADS)

    Eichelberger, J.; Hill, G.; Patrick, M.; Freymueller, J.; Barnes, D.; Kelley, J.; Layer, P.

    2001-12-01

    The US Department of Energy (USDOE) is currently undertaking an ambitious program of environmental remediation of the surface of Amchitka Island in the western Aleutians, where three underground nuclear tests were conducted during 1963-1971. Among these tests was Cannikin, at approximately 5 megatons the largest nuclear device ever exploded underground by the United States and equivalent in seismic energy release to a magnitude 7 earthquake. The blast caused about 1 m of uplift of the Bering Sea coastline in the 3-km-wide fault-bounded block within which it was detonated. The impending final transfer of stewardship of this area to the US Fish and Wildlife Service as part of the Alaska Maritime National Wildlife Refuge raises anew the question of the potential for transport of radionuclides from the shot cavity, located at 1791 m depth in mafic laharic breccias, into the accessible environment. In particular, there is concern about whether such contaminants could become concentrated in the marine food chain that is used for subsistence by Alaskan Natives (and by the broader international community through the North Pacific and Bering Fisheries). Both possible transport pathways in the form of faults and transport medium in the form of abundant water are present. Since the pre-plate tectonics paradigm days of active testing, the scientific community's understanding of the tectonic context of the Aleutian Islands has grown tremendously. Recently, the first direct measurements of motion within the arc have been made. How this new understanding should guide plans for long-term monitoring of the site is an important question. Convergence due to subduction of the North Pacific plate beneath North America ranges from near-normal at the Alaska Peninsula and eastern Aleutian islands to highly oblique in the west. Amchitka itself can be seen as a subaerial portion of a 200-km-long Rat Island arc crest segment. This fragment has torn from the Andreanof Islands to the east at

  2. Natural radioactivity in ground water near the Savannah River Site

    SciTech Connect

    Price, V. Jr. ); Michel, J. )

    1990-08-01

    A study of natural radioactivity in groundwater on and adjacent to the Savannah River Site (SRS) in Aiken (SC) was conducted to determine the spatial and temporal variations in the concentration of specific radionuclides. All available measurements for gross alpha particle activity, gross beta activity, uranium, Ra-226, Ra-228, and radon were collated. Relatively few radionuclide-specific results were found. Twenty samples from drinking water supplies in the area were collected in October 1987 and analyzed for U-238, U-234, Ra-226, Ra-228, and Rn-222. The aquifer type for each public water supply system was determined, and statistical analyses were conducted to detect differences among aquifer types and geographic areas defined at the country level. For samples from the public water wells and distribution systems on and adjacent to the site, most of the gross alpha particle activity could be attributed to Ra-226. Aquifer type was an important factor in determining the level of radioactivity in groundwater. The distribution and geochemical factors affecting the distribution of each radionuclide for the different aquifer types are discussed in detail. Statistical analyses were also run to test for aerial differences, among counties and the site. For all types of measurements, there were no differences in the distribution of radioactivity among the ten counties in the vicinity of the site or the site itself. The mean value for the plant was the lowest of all geographic areas for gross alpha particle activity and radon, intermediate for gross beta activity, and in the upper ranks for Ra-226 and Ra-228. It is concluded that the drinking water quality onsite is comparable with that in the vicinity. 19 refs., 5 figs., 5 tabs.

  3. Optimization Review: French Gulch/Wellington-Oro Mine Site Water Treatment Plant, Breckenridge, Summit County, Colorado

    EPA Pesticide Factsheets

    The French Gulch/Wellington-Oro Mine Site is located near the town of Breckenridge in Summit County, Colorado. Environmental contamination of surface water, groundwater, soil and sediment at the site resulted from mining activities dating to the 1880s.

  4. Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - The importance of accommodating the active site water.

    PubMed

    Heyes, Logan C; Reichau, Sebastian; Cross, Penelope J; Jameson, Geoffrey B; Parker, Emily J

    2014-12-01

    3-Deoxy-d-arabino-heptulosonate 7-phosphate synthase (DAH7PS) catalyses the first committed step of the shikimate pathway, which produces the aromatic amino acids as well as many other aromatic metabolites. DAH7PS catalyses an aldol-like reaction between phosphoenolpyruvate and erythrose 4-phosphate. Three phosphoenolpyruvate mimics, (R)-phospholactate, (S)-phospholactate and vinyl phosphonate [(E)-2-methyl-3-phosphonoacrylate], were found to competitively inhibit DAH7PS from Neisseria meningitidis, which is the pathogen responsible for bacterial meningitis. The most potent inhibitor was the vinyl phosphonate with a Ki value of 3.9±0.4μM. We report for the first time crystal structures of these compounds bound in the active site of a DAH7PS enzyme which reveals that the inhibitors bind to the active site of the enzyme in binding modes that mimic those of the predicted oxocarbenium and tetrahedral intermediates of the enzyme-catalysed reaction. Furthermore, the inhibitors accommodate the binding of a key active site water molecule. Together, these observations provide strong evidence that this active site water participates directly in the DAH7PS reaction, enabling the facial selectivity of the enzyme-catalysed reaction sequence to be delineated.

  5. Radiochemical Analyses of the Filter Cake, Granular Activated Carbon, and Treated Ground Water from the DTSC Stringfellow Superfund Site Pretreatment Plant

    SciTech Connect

    Esser, B K; McConachie, W; Fischer, R; Sutton, M; Szechenyi, S

    2005-09-16

    The Department of Toxic Substance Control (DTSC) requested that Lawrence Livermore National Laboratory (LLNL) evaluate the treatment process currently employed at the Department's Stringfellow Superfund Site Pretreatment Plant (PTP) site to determine if wastes originating from the site were properly managed with regards to their radioactivity. In order to evaluate the current management strategy, LLNL suggested that DTSC characterize the effluents from the waste treatment system for radionuclide content. A sampling plan was developed; samples were collected and analyzed for radioactive constituents. Following is brief summary of those results and what implications for waste characterization may be made. (1) The sampling and analysis provides strong evidence that the radionuclides present are Naturally Occurring Radioactive Material (NORM). (2) The greatest source of radioactivity in the samples was naturally occurring uranium. The sample results indicate that the uranium concentration in the filter cake is higher than the Granular Activated Carbon (GAC) samples. (11 -14 and 2-6 ppm respectively). (3) No radiologic background for geologic materials has been established for the Stringfellow site, and comprehensive testing of the process stream has not been conducted. Without site-specific testing of geologic materials and waste process streams, it is not possible to conclude if filter cake and spent GAC samples contain radioactivity concentrated above natural background levels, or if radionuclides are being concentrated by the waste treatment process. Recommendation: The regulation of Technologically Enhanced, Naturally Occurring Radioactive Materials (T-NORM) is complex. Since the results of this study do not conclusively demonstrate that natural radioactive materials have not been concentrated by the treatment process it is recommended that the DTSC consult with the Department of Health Services (DHS) Radiological Health Branch to determine if any further action is

  6. Validated ligand mapping of ACE active site

    NASA Astrophysics Data System (ADS)

    Kuster, Daniel J.; Marshall, Garland R.

    2005-08-01

    Crystal structures of angiotensin-converting enzyme (ACE) complexed with three inhibitors (lisinopril, captopril, enalapril) provided experimental data for testing the validity of a prior active site model predicting the bound conformation of the inhibitors. The ACE active site model - predicted over 18 years ago using a series of potent ACE inhibitors of diverse chemical structure - was recreated using published data and commercial software. Comparison between the predicted structures of the three inhibitors bound to the active site of ACE and those determined experimentally yielded root mean square deviation (RMSD) values of 0.43-0.81 Å, among the distances defining the active site map. The bound conformations of the chemically relevant atoms were accurately deduced from the geometry of ligands, applying the assumption that the geometry of the active site groups responsible for binding and catalysis of amide hydrolysis was constrained. The mapping of bound inhibitors at the ACE active site was validated for known experimental compounds, so that the constrained conformational search methodology may be applied with confidence when no experimentally determined structure of the enzyme yet exists, but potent, diverse inhibitors are available.

  7. National water-information clearinghouse activities; ground-water perspective

    USGS Publications Warehouse

    Haupt, C.A.; Jensen, R.A.

    1988-01-01

    The US Geological Survey (USGS) has functioned for many years as an informal clearinghouse for water resources information, enabling users to access groundwater information effectively. Water resources clearinghouse activities of the USGS are conducted through several separate computerized water information programs that are involved in the collection, storage, retrieval, and distribution of different types of water information. The following USGS programs perform water information clearinghouse functions and provide the framework for a formalized National Water-Information Clearinghouse: (1) The National Water Data Exchange--a nationwide confederation of more than 300 Federal, State, local, government, academic, and private water-oriented organizations that work together to improve access to water data; (2) the Water Resources Scientific Information Center--acquires, abstracts, and indexes the major water-resources-related literature of the world, and provides this information to the water resources community; (3) the Information Transfer Program--develops innovative approaches to transfer information and technology developed within the USGS to audiences in the public and private sectors; (4) the Hydrologic Information Unit--provides responses to a variety of requests, both technical and lay-oriented, for water resources information , and helps efforts to conduct water resources research; (5) the Water Data Storage and Retrieval System--maintains accessible computerized files of hydrologic data collected nationwide, by the USGS and other governmental agencies, from stream gaging stations, groundwater observation wells, and surface- and groundwater quality sampling sites; (6) the Office of Water Data Coordination--coordinate the water data acquisition activities of all agencies of the Federal Government, and is responsible for the planning, design, and inter-agency coordination of a national water data and information network; and (7) the Water Resources Research

  8. Hanford Site ground-water monitoring for 1994

    SciTech Connect

    Dresel, P.E.; Thorne, P.D.; Luttrell, S.P.

    1995-08-01

    This report presents the results of the Ground-Water Surveillance Project monitoring for calendar year 1994 on the Hanford Site, Washington. Hanford Site operations from 1943 onward produced large quantities of radiologic and chemical waste that have impacted ground-water quality on the Site. Monitoring of water levels and ground-water chemistry is performed to track the extent of contamination and trends in contaminant concentrations. The 1994 monitoring was also designed to identify emerging ground-water quality problems. The information obtained is used to verify compliance with applicable environmental regulations and to evaluate remedial actions. Data from other monitoring and characterization programs were incorporated to provide an integrated assessment of Site ground-water quality. Additional characterization of the Site`s geologic setting and hydrology was performed to support the interpretation of contaminant distributions. Numerical modeling of sitewide ground-water flow also supported the overall project goals. Water-level monitoring was performed to evaluate ground-water flow directions, to track changes in water levels, and to relate such changes to changes in site disposal practices. Water levels over most of the Hanford Site continued to decline between June 1993 and June 1994. These declines are part of the continued response to the cessation of discharge to U Pond and other disposal facilities. The low permeability in this area which enhanced mounding of waste-water discharge has also slowed the response to the reduction of disposal.

  9. CONTAMINATION OF PUBLIC GROUND WATER SUPPLIES BY SUPERFUND SITES

    EPA Science Inventory

    Multiple sources of contamination can affect ground water supplies, including municipal landfills, industrial operations, leaking underground storage tanks, septic tank systems, and prioritized uncontrolled hazardous waste sites known as “Superfund” sites. A review of Superfund R...

  10. A comparison of vanadate to a 2′–5′ linkage at the active site of a small ribozyme suggests a role for water in transition-state stabilization

    PubMed Central

    Torelli, Andrew T.; Krucinska, Jolanta; Wedekind, Joseph E.

    2007-01-01

    The potential for water to participate in RNA catalyzed reactions has been the topic of several recent studies. Here, we report crystals of a minimal, hinged hairpin ribozyme in complex with the transition-state analog vanadate at 2.05 Å resolution. Waters are present in the active site and are discussed in light of existing views of catalytic strategies employed by the hairpin ribozyme. A second structure harboring a 2′,5′-phosphodiester linkage at the site of cleavage was also solved at 2.35 Å resolution and corroborates the assignment of active site waters in the structure containing vanadate. A comparison of the two structures reveals that the 2′,5′ structure adopts a conformation that resembles the reaction intermediate in terms of (1) the positioning of its nonbridging oxygens and (2) the covalent attachment of the 2′-O nucleophile with the scissile G+1 phosphorus. The 2′,5′-linked structure was then overlaid with scissile bonds of other small ribozymes including the glmS metabolite-sensing riboswitch and the hammerhead ribozyme, and suggests the potential of the 2′,5′ linkage to elicit a reaction-intermediate conformation without the need to form metalloenzyme complexes. The hairpin ribozyme structures presented here also suggest how water molecules bound at each of the nonbridging oxygens of G+1 may electrostatically stabilize the transition state in a manner that supplements nucleobase functional groups. Such coordination has not been reported for small ribozymes, but is consistent with the structures of protein enzymes. Overall, this work establishes significant parallels between the RNA and protein enzyme worlds. PMID:17488874

  11. Ligand-bound structures of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis reveal a water channel connecting to the active site for the second step of catalysis.

    PubMed

    Dhindwal, Sonali; Priyadarshini, Priyanka; Patil, Dipak N; Tapas, Satya; Kumar, Pramod; Tomar, Shailly; Kumar, Pravindra

    2015-02-01

    KdsC, the third enzyme of the 3-deoxy-D-manno-octulosonic acid (KDO) biosynthetic pathway, catalyzes a substrate-specific reaction to hydrolyze 3-deoxy-D-manno-octulosonate 8-phosphate to generate a molecule of KDO and phosphate. KdsC is a phosphatase that belongs to the C0 subfamily of the HAD superfamily. To understand the molecular basis for the substrate specificity of this tetrameric enzyme, the crystal structures of KdsC from Moraxella catarrhalis (Mc-KdsC) with several combinations of ligands, namely metal ion, citrate and products, were determined. Various transition states of the enzyme have been captured in these crystal forms. The ligand-free and ligand-bound crystal forms reveal that the binding of ligands does not cause any specific conformational changes in the active site. However, the electron-density maps clearly showed that the conformation of KDO as a substrate is different from the conformation adopted by KDO when it binds as a cleaved product. Furthermore, structural evidence for the existence of an intersubunit tunnel has been reported for the first time in the C0 subfamily of enzymes. A role for this tunnel in transferring water molecules from the interior of the tetrameric structure to the active-site cleft has been proposed. At the active site, water molecules are required for the formation of a water bridge that participates as a proton shuttle during the second step of the two-step phosphoryl-transfer reaction. In addition, as the KDO biosynthesis pathway is a potential antibacterial target, pharmacophore-based virtual screening was employed to identify inhibitor molecules for the Mc-KdsC enzyme.

  12. 1. Pamorana of Daniel F. Waters Germantown Dye Works site ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    1. Pamorana of Daniel F. Waters Germantown Dye Works site (with the former Hinckley Knitting Mills in the foreground) from Germantown Avenue looking east. - Daniel F. Waters Germantown Dye Works, 37-55 East Wister Street, Philadelphia, Philadelphia County, PA

  13. View from southwest to northeast of PAR site fresh water ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    View from southwest to northeast of PAR site fresh water pump house - Stanley R. Mickelsen Safeguard Complex, Fresh Water Pump House, In Limited Access Area, on Patrol Road next to Open Storage Reservoir No. 736, Nekoma, Cavalier County, ND

  14. THE TREATMENT OF CONTAMINATED WATER AT REMEDIAL WOOD PRESERVING SITES

    EPA Science Inventory

    Contaminated groundwater and surface water have posed a great challenge in restoring wood preserving sites to beneficial use. Often contaminated groundwater plumes extend far beyond the legal property limits, adversely impacting drinking water supplies and crop lands. To contain,...

  15. Lawrence Livermore National Laboratory Experimental Test Site (Site 300) Potable Water System Operations Plan

    SciTech Connect

    Ocampo, Ruben P.; Bellah, Wendy

    2016-03-04

    The existing Lawrence Livermore National Laboratory (LLNL) Site 300 drinking water system operation schematic is shown in Figures 1 and 2 below. The sources of water are from two Site 300 wells (Well #18 and Well #20) and San Francisco Public Utilities Commission (SFPUC) Hetch-Hetchy water through the Thomas shaft pumping station. Currently, Well #20 with 300 gallons per minute (gpm) pump capacity is the primary source of well water used during the months of September through July, while Well #18 with 225 gpm pump capacity is the source of well water for the month of August. The well water is chlorinated using sodium hypochlorite to provide required residual chlorine throughout Site 300. Well water chlorination is covered in the Lawrence Livermore National Laboratory Experimental Test Site (Site 300) Chlorination Plan (“the Chlorination Plan”; LLNL-TR-642903; current version dated August 2013). The third source of water is the SFPUC Hetch-Hetchy Water System through the Thomas shaft facility with a 150 gpm pump capacity. At the Thomas shaft station the pumped water is treated through SFPUC-owned and operated ultraviolet (UV) reactor disinfection units on its way to Site 300. The Thomas Shaft Hetch- Hetchy water line is connected to the Site 300 water system through the line common to Well pumps #18 and #20 at valve box #1.

  16. Spectroscopic studies of the active site of galactose oxidase

    SciTech Connect

    Knowles, P.F.; Brown, R.D. III; Koenig, S.H.

    1995-07-19

    X-ray absorption and EPR spectroscopy have been used to probe the copper site structure in galactose oxidase at pH 4.5 and 7.0. the results suggest that there are no major differences in the structure of the tetragonal Cu(II) site at these pH values. Analysis of the extended X-ray absorption fine structure (EXAFS) indicates that four N,O scatterers are present at approximately 2 {Angstrom}; these are presumably the equatorial ligands. In addition, the EXAFS data establish that oxidative activation to produce the active-site tyrosine radical does not cause major changes in the copper coordination environment. Therefore results obtained on the one-electron reduced enzyme, containing Cu(II) but not the tyrosine radical, probably also apply to the catalytically active Cu(II)/tyrosine radical state. Solvent water exchange, inhibitor binding, and substrate binding have been probed via nuclear magnetic relaxation dispersion (NMRD) measurements. The NMRD profile of galactose oxidase is quantitatively consistent with the rapid exchange of a single, equatorial water ligand with a Cu(II)-O separation of about 2.4 {Angstrom}. Azide and cyanide displace this coordinated water. The binding of azide and the substrate dihydroxyacetone produce very similar effects on the NMRD profile of galactose oxidase, indicating that substrates also bind to the active site Cu(II) in an equatorial position.

  17. Hanford Site ground-water monitoring for 1993

    SciTech Connect

    Dresel, P.E.; Luttrell, S.P.; Evans, J.C.

    1994-09-01

    This report presents the results of the Ground-Water Surveillance Project monitoring for calendar year 1993 on the Hanford Site, Washington. Hanford Site operations from 1943 onward produced large quantities of radiological and chemical waste that have impacted ground-water quality on the Site. Monitoring of water levels and ground-water chemistry is performed to track the extent of contamination and trends in contaminant concentrations. The 1993 monitoring was also designed to identify emerging ground-water quality problems. The information obtained is used to verify compliance with applicable environmental regulations and to evaluate remedial actions. Data from other monitoring and characterization programs were incorporated to provide an integrated assessment of Site ground-water quality. Additional characterization of the Site`s geologic setting and hydrology was performed to support the interpretation of contaminant distributions. Numerical modeling of sitewide ground-water flow also supported the overall project goals. Water-level monitoring was performed to evaluate ground-water flow directions, to track changes in water levels, and to relate such changes to changes in site disposal practices. Water levels over most of the Hanford Site continued to decline between June 1992 and June 1993. The greatest declines occurred in the 200-West Area. These declines are part of the continued response to the cessation of discharge to U Pond and other disposal facilities. The low permeability in this area which enhanced mounding of waste-water discharge has also slowed the response to the reduction of disposal. Water levels remained nearly constant in the vicinity of B Pond, as a result of continued disposal to the pond. Water levels measured from wells in the unconfined aquifer north and east of the Columbia River indicate that the primary source of recharge is irrigation practices.

  18. Life at low water activity.

    PubMed Central

    Grant, W D

    2004-01-01

    Two major types of environment provide habitats for the most xerophilic organisms known: foods preserved by some form of dehydration or enhanced sugar levels, and hypersaline sites where water availability is limited by a high concentration of salts (usually NaCl). These environments are essentially microbial habitats, with high-sugar foods being dominated by xerophilic (sometimes called osmophilic) filamentous fungi and yeasts, some of which are capable of growth at a water activity (a(w)) of 0.61, the lowest a(w) value for growth recorded to date. By contrast, high-salt environments are almost exclusively populated by prokaryotes, notably the haloarchaea, capable of growing in saturated NaCl (a(w) 0.75). Different strategies are employed for combating the osmotic stress imposed by high levels of solutes in the environment. Eukaryotes and most prokaryotes synthesize or accumulate organic so-called 'compatible solutes' (osmolytes) that have counterbalancing osmotic potential. A restricted range of bacteria and the haloarchaea counterbalance osmotic stress imposed by NaCl by accumulating equivalent amounts of KCl. Haloarchaea become entrapped and survive for long periods inside halite (NaCl) crystals. They are also found in ancient subterranean halite (NaCl) deposits, leading to speculation about survival over geological time periods. PMID:15306380

  19. Corrosion Research And Web Site Activities

    NASA Technical Reports Server (NTRS)

    Heidersbach, Robert H.

    2001-01-01

    This report covers corrosion-related activities at the NASA Kennedy Space Center during the summer of 2000. The NASA Kennedy Space Center's corrosion web site, corrosion.ksc.nasa.gov, was updated with new information based on feedback over the past two years. The methodology for a two-year atmospheric exposure testing program to study the effectiveness of commercial chemicals sold for rinsing aircraft and other equipment was developed and some preliminary laboratory chemical analyses are presented.

  20. Corrosion Research and Web Site Activities

    NASA Technical Reports Server (NTRS)

    Heidersbach, Robert H.

    2002-01-01

    This report covers corrosion-related activities at the NASA Kennedy Space Center during the summer of 2000. The NASA Kennedy Space Center's corrosion web site, corrosion.ksc.nasa.gov, was updated with new information based on feedback over the past two years. The methodology for a two-year atmospheric exposure testing program to study the effectiveness of commercial chemicals sold for rinsing aircraft and other equipment was developed and some preliminary laboratory chemical analyses are presented.

  1. Horses, Cows, and Water Quality: Prioritizing Stream Restoration Sites

    NASA Astrophysics Data System (ADS)

    Lewis, R. A.; Ambers, R. K.

    2002-05-01

    In order to prioritize sites for a stream restoration project, water quality testing is being done in two small, partly forested watersheds on the Sweet Briar College campus east of the Blue Ridge Mountains of Virginia. The 1.3 km2 watershed of Dairy Creek contains a former dairy operation (now hayfields) and athletic fields. The 0.7 km2 watershed of Fern Creek contains an actively used horse pasture, riding, and stable area. The goals of this study are: (1) to determine which stream would benefit more from establishing or improving a forested riparian buffer zone and (2) to collect baseline water quality data which can be used in future years to monitor the effectiveness of the restoration project and other land management practices. Ten sites along the main stems and tributary streams in the two watersheds were chosen for water quality measurements. When water samples are collected, discharge is also determined at each site by dilution gauging using a conductivity logger. Water samples are tested in the lab for pH, turbidity, nitrate-nitrogen, orthophosphate, total phosphate, and fecal and total coloform bacteria. Total and orthophosphate and pH show no systematic downstream variation or difference between the two watersheds. In contrast, nitrate increases downstream and is positively correlated with conductivity and the upstream area of non-forested land. Nitrate concentrations in the Dairy Creek watershed are significantly higher than in the Fern Creek watershed. Fecal and total coloform counts also tend to be higher in Dairy than in Fern Creek, but the numbers vary widely. Although discharge increases downstream in a predictable way, it does not correlate well with any of the measured constituents. Despite the fact that the riding center is functioning but the dairy operation is not, these preliminary data suggest that water quality in the Dairy Creek system is poorer than in Fern Creek. Further investigation is needed to identify non-point sources of nutrient

  2. Baseline risk assessment of ground water contamination at the uranium mill tailings site near Canonsburg, Pennsylvania

    SciTech Connect

    Not Available

    1994-09-01

    This baseline risk assessment evaluates potential impacts to public health and the environment resulting from ground water contamination from past activities at the former uranium processing site in Canonsburg, Pennsylvania. The US Department of Energy Uranium Mill Tailings Remedial Action (UMTRA) Project has placed contaminated material from this site in an on-site disposal cell. Currently, the UMTRA Project is evaluating ground water contamination. This risk assessment is the first document specific to this site for the UMTRA Ground Water Project. Currently, no domestic or drinking water well tap into contaminated ground water of the two distinct ground water units: the unconsolidated materials and the bedrock. Because there is no access, no current health or environmental risks are associated with the direct use of the contaminated ground water. However, humans and ecological organisms could be exposed to contaminated ground water if a domestic well were to be installed in the unconsolidated materials in that part of the site being considered for public use (Area C). The first step is evaluating ground water data collected from monitor wells at the site. For the Canonsburg site, this evaluation showed the contaminants in ground water exceeding background in the unconsolidated materials in Area C are ammonia, boron, calcium, manganese, molybdenum, potassium, strontium, and uranium.

  3. Arid site water balance: evapotranspiration modeling and measurements

    SciTech Connect

    Gee, G.W.; Kirkham, R.R.

    1984-09-01

    In order to evaluate the magnitude of radionuclide transport at an aird site, a field and modeling study was conducted to measure and predict water movement under vegetated and bare soil conditions. Significant quantities of water were found to move below the roo of a shallow-rooted grass-covered area during wet years at the Hanford site. The unsaturated water flow model, UNSAT-1D, was resonably successful in simulating the transient behavior of the water balance at this site. The effects of layered soils on water balance were demonstrated using the model. Models used to evaluate water balance in arid regions should not rely on annual averages and assume that all precipitation is removed by evapotranspiration. The potential for drainage at arid sites exists under conditions where shallow rooted plants grow on coarse textured soils. This condition was observed at our study site at Hanford. Neutron probe data collected on a cheatgrass community at the Hanford site during a wet year indicated that over 5 cm of water drained below the 3.5-m depth. The unsaturated water flow model, UNSAT-1D, predicted water drainage of about 5 cm (single layer, 10 months) and 3.5 cm (two layers, 12 months) for the same time period. Additional field measurements of hydraulic conductivity will likely improve the drainage estimate made by UNSAT-1D. Additional information describing cheatgrass growth and water use at the grass site could improve model predictions of sink terms and subsequent calculations of water storage within the rooting zone. In arid areas where the major part of the annual precipitation occurs during months with low average potential evapotranspiration and where soils are vegetated but are coarse textured and well drained, significant drainage can occur. 31 references, 18 figures, 1 table.

  4. Siting analyses for water quality sampling in a catchment.

    PubMed

    Kao, Jehng-Jung; Li, Pei-Hao; Lin, Chin-Lien; Hu, Wen-Hsin

    2008-04-01

    Pollution loads discharged from upstream development or human activities significantly degrade the water quality of a reservoir. The design of an appropriate water quality sampling network is therefore important for detecting potential pollution events and monitoring pollution trends. However, under a limited budgetary constraint, how to site an appropriate number of sampling stations is a challenging task. A previous study proposed a method applying the simulated annealing algorithm to design the sampling network based on three cost factors including the number of reaches, bank length, and subcatchment area. However, these factors are not directly related to the distribution of possible pollution. Thus, this study modified the method by considering three additional factors, i.e. total phosphorus, nitrogen, and sediment loads. The larger the possible load, the higher the probability of a pollution event may occur. The study area was the Derchi reservoir catchment in Taiwan. Pollution loads were derived from the AGNPS model with rainfall intensity estimated using the Thiessen method. Analyses for a network with various numbers of sampling sites were implemented. The results obtained based on varied cost factors were compared and discussed. With the three additional factors, the chosen sampling network is expected to properly detect pollution events and monitor pollution distribution and temporal trends.

  5. Give Water a Hand. School Site Action Guide. Organizing Water Conservation and Pollution Prevention Service Projects in Your Community.

    ERIC Educational Resources Information Center

    Wisconsin Univ., Madison. Coll. of Agricultural and Life Sciences.

    Students grades 4-8 can use this guide to explore the topics of water, and water conservation at a school site, while conducting an environmental community service project. Youth groups, led by a group leader, work with local experts from business, government, or environmental organizations to complete the project. Nine activity sections involve…

  6. Synthesis, characterization, and reactivity studies of a water-soluble bis(alkoxo)(carboxylato)-bridged diMn(III) complex modeling the active site in catalase.

    PubMed

    Palopoli, Claudia; Duhayon, Carine; Tuchagues, Jean-Pierre; Signorella, Sandra

    2014-12-07

    A new diMn(III) complex, Na[Mn2(5-SO3-salpentO)(μ-OAc)(μ-OMe)(H2O)]·4H2O, where 5-SO3-salpentOH = 1,5-bis(5-sulphonatosalicylidenamino)pentan-3-ol, has been prepared and characterized. ESI-mass spectrometry, paramagnetic (1)H NMR, EPR and UV-visible spectroscopic studies on freshly prepared solutions of the complex in methanol and 9 : 1 methanol-water mixtures showed that the compound retains the triply bridged bis(μ-alkoxo)(μ-acetato)Mn2(3+) core in solution. In the 9 : 1 methanol-water mixture, slow substitution of acetate by water molecules took place, and after one month, the doubly bridged diMn(III) complex, [Mn2(5-SO3-salpentO)(μ-OMe)(H2O)3]·5H2O, formed and could be characterized by X-ray diffraction analysis. In methanolic or aqueous basic media, acetate shifts from a bridging to a terminal coordination mode, affording the highly stable [Mn2(5-SO3-salpentO)(μ-OMe)(OAc)](-) anion. The efficiency of the complex in disproportionating H2O2 depends on the solvent and correlates with the stability of the complex (towards metal dissociation) in each medium: basic buffer > aqueous base > water. The buffer preserves the integrity of the catalyst and the rate of O2 evolution remains essentially constant after successive additions of excess of H2O2. Turnovers as high as 3000 mol H2O2 per mol of catalyst, without significant decomposition and with an efficiency of k(cat)/K(M) = 1028 M(-1) s(-1), were measured for the complex in aqueous buffers of pH 11. Kinetic and spectroscopic results suggest a catalytic cycle that runs between Mn(III)2 and Mn(IV)2 oxidation states, which is consistent with the low redox potential observed for the Mn(III)2/Mn(III)Mn(IV) couple of the catalyst in basic medium.

  7. Remediation System Evaluation, Savage Municipal Water Supply Superfund Site (PDF)

    EPA Pesticide Factsheets

    The Savage Municipal Water Supply Superfund Site, located on the western edge of Milford, New Hampshire, consists of a source area and an extended plume that is approximately 6,000 feet long and 2,500 feet wide.

  8. Hanford Site ground-water monitoring for April through June 1987

    SciTech Connect

    Evans, J.C.; Mitchell, P.J.; Dennison, D.I.

    1988-01-01

    Pacific Northwest Laboratory (PNL) is conducting ground-water monitoring at the Hanford Site. Results for monitoring by PNL and Westinghouse Hanford Company (WHC) during April-June 1987 show that certain regulated hazardous materials and radionuclides exist in Hanford Site ground waters. The presence of regulated constituents in the ground water derives both from site operations and from natural sources. The major contamination problems defined by recent monitoring activities are carbon tetrachloride in the 200 West Area; cyanide in and north of the 200 East Area; hexavalent chromium contamination in the 100B, 100D, 100K, and 100H areas; chlorinated hydrocarbons in the vicinity of the Central Landfill; uranium at the 216-U-1 and 216-U-2 cribs in the 200 West Area; tritium across the site; and nitrate across the site. The distribution of hazardous materials related to site operations is more limited than the distribution of tritium and nitrate. 8 refs., 22 figs., 5 tabs.

  9. Remedial action plan and site design for stabilization of the inactive uranium mill tailings sites at Slick Rock, Colorado. Attachment 3, Ground water hydrology report: Preliminary final

    SciTech Connect

    Not Available

    1994-03-04

    The US Environmental Protection Agency (EPA) has established health and environmental protection regulations to correct and prevent ground water contamination resulting from processing activities at inactive uranium milling sites (52 FR 36000 (1987)). According to the Uranium Mill Tailings Radiation Control Act (UMTRCA) of 1978, 42 USC {section}7901 et seq., the US Department of Energy (DOE) is responsible for assessing the inactive uranium processing sites. The DOE has determined that for Slick Rock, this assessment shall include hydrogeologic site characterization for two separate uranium processing sites, the Union Carbide (UC) site and the North Continent (NC) site, and for the proposed Burro Canyon disposal site. The water resources protection strategy that describes how the proposed action will comply with the EPA ground water protection standards is presented in Attachment 4. The following site characterization activities are discussed in this attachment: Characterization of the hydrogeologic environment, including hydrostratigraphy, ground water occurrence, aquifer parameters, and areas of recharge and discharge. Characterization of existing ground water quality by comparison with background water quality and the maximum concentration limits (MCL) of the proposed EPA ground water protection standards. Definition of physical and chemical characteristics of the potential contaminant source, including concentration and leachability of the source in relation to migration in ground water and hydraulically connected surface water. Description of local water resources, including current and future use, availability, and alternative supplies.

  10. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site near Maybell, Colorado

    SciTech Connect

    1995-09-01

    The US Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project consists of the Surface Project (Phase I) and the Ground Water Project (Phase II). Under the UMTRA Surface Project, tailings, radioactive contaminated soil, building foundations, and materials associated with the former processing of uranium ore at UMTRA sites are placed into disposal cells. The cells are designed to reduce radon and other radiation emissions and to prevent further contamination of ground water. One UMTRA Project site is near Maybell, Colorado. Surface cleanup at this site is under way and is scheduled for completion in 1996. The tailings are being stabilized in-place at this site. The disposal area has been withdrawn from public use by the DOE and is referred to as the permanent withdrawal area. The Ground Water Project evaluates the nature and extent of ground water contamination resulting from past uranium ore processing activities. The Ground Water Project at this site is in its beginning stages. This report is a site-specific document that will be used to evaluate current and future potential impacts to the public and the environment from exposure to contaminated ground water. The results of this evaluation and further site characterization will determine whether any action is needed to protect human health or the environment. Currently, no points of exposure (e.g. a drinking water well); and no receptors of contaminated ground water have been identified at the Maybell site. Therefore, there are no current human health and ecological risks associated with exposure to contaminated ground water. Furthermore, if current site conditions and land- and water-use patterns do not change, it is unlikely that contaminated ground water would reach people or the ecological communities in the future.

  11. Evaluation of potential water conservation using site-specific irrigation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    With the advent of site-specific variable-rate irrigation (VRI) systems, irrigation can be spatially managed within sub-field-sized zones. Spatial irrigation management can optimize spatial water use efficiency and may conserve water. Spatial VRI systems are currently being managed by consultants ...

  12. Active Sites Environmental Monitoring Program: Program plan

    SciTech Connect

    Ashwood, T.L.; Wickliff, D.S.; Morrissey, C.M.

    1992-02-01

    The Active Sites Environmental Monitoring Program (ASEMP), initiated in 1989, provides early detection and performance monitoring of transuranic (TRU) waste and active low-level waste (LLW) facilities at Oak Ridge National Laboratory (ORNL) in accordance with US Department of Energy (DOE) Order 5820.2A. Active LLW facilities in Solid Waste Storage Area (SWSA) 6 include Tumulus I and Tumulus II, the Interim Waste Management Facility (IWMF), LLW silos, high-range wells, asbestos silos, and fissile wells. The tumulus pads and IWMF are aboveground, high-strength concrete pads on which concrete vaults containing metal boxes of LLW are placed; the void space between the boxes and vaults is filled with grout. Eventually, these pads and vaults will be covered by an engineered multilayered cap. All other LLW facilities in SWSA 6 are below ground. In addition, this plan includes monitoring of the Hillcut Disposal Test Facility (HDTF) in SWSA 6, even though this facility was completed prior to the data of the DOE order. In SWSA 5 North, the TRU facilities include below-grade engineered caves, high-range wells, and unlined trenches. All samples from SWSA 6 are screened for alpha and beta activity, counted for gamma-emitting isotopes, and analyzed for tritium. In addition to these analytes, samples from SWSA 5 North are analyzed for specific transuranic elements.

  13. [Structural regularities in activated cleavage sites of thrombin receptors].

    PubMed

    Mikhaĭlik, I V; Verevka, S V

    1999-01-01

    Comparison of thrombin receptors activation splitting sites sequences testifies to their similarity both in activation splitting sites of protein precursors and protein proteinase inhibitors reactive sites. In all these sites corresponded to effectory sites P2'-positions are placed by hydrophobic amino-acids only. The regularity defined conforms with previous thesis about the role of effectory S2'-site in regulation of the processes mediated by serine proteinases.

  14. Coarse-Grained Model for Water Involving a Virtual Site.

    PubMed

    Deng, Mingsen; Shen, Hujun

    2016-02-04

    In this work, we propose a new coarse-grained (CG) model for water by combining the features of two popular CG water models (BMW and MARTINI models) as well as by adopting a topology similar to that of the TIP4P water model. In this CG model, a CG unit, representing four real water molecules, consists of a virtual site, two positively charged particles, and a van der Waals (vdW) interaction center. Distance constraint is applied to the bonds formed between the vdW interaction center and the positively charged particles. The virtual site, which carries a negative charge, is determined by the locations of the two positively charged particles and the vdW interaction center. For the new CG model of water, we coined the name "CAVS" (charge is attached to a virtual site) due to the involvment of the virtual site. After being tested in molecular dynamic (MD) simulations of bulk water at various time steps, under different temperatures and in different salt (NaCl) concentrations, the CAVS model offers encouraging predictions for some bulk properties of water (such as density, dielectric constant, etc.) when compared to experimental ones.

  15. Hanford Site storm water comprehensive site compliance evaluation report for the reporting period July 1, 1996 through June 30, 1997

    SciTech Connect

    Perkins, C.J.

    1997-09-18

    On September 9, 1992, the US Environmental Protection Agency (EPA) issued General Permit No. WA-R-00-OOOF, Authorization to Discharge Under the National Pollutant Discharge Elimination System (NPDES) for Storm Water Discharges Associated with Industrial Activity to the US Department of Energy, Richland Operations Office (RL). RL submitted a Notice of Intent to comply with this permit to EPA in conformance with the General Permit requirements on October 1, 1992. On February 14, 1994, EPA issued a Storm Water General Permit Coverage Notice and assigned WA-R-00-Al7F as the Hanford Site`s National Pollutant Discharge Elimination System (NPDES) storm water permit number. The Hanford Site Storm Water Pollution Prevention Plan (SWPPP) (WHC 1996a) was certified by J. E Rasmussen, Director Environmental Assurance, RL, on September 24, 1996, in compliance with Part IV.B(i) of the General Permit. As required by General Permit No. WA-R-00-OOOF (WA-R-00-Al7F), Section IV, Part D, Section 4.c, an annual report must be developed by RL and retained on site to verify that the requirements listed in the General Permit are being implemented. The previous Hanford Site Storm Plater Comprehensive Site Compliance Evaluation Report (WHC 1996b) addressed the period from July 1995 through June 1996. This document fulfills the requirement to prepare an annual report and contains the results of inspections of the storm water outfalls listed in the SWPPP (WHC 1996a). This report also describes the methods used to conduct the 1100 Storm Plater Comprehensive Site Compliance Evaluation (SWCSCE) as required in Part IV, Section D.4.c in the General Permit; summarizes the results of the compliance evaluation; and documents significant leaks and spills. The reporting year for this SWCSCE report is July 1, 1996 through June 30, 1997.

  16. Site-site direct correlation functions for three popular molecular models of liquid water.

    PubMed

    Zhao, Shuangliang; Liu, Yu; Liu, Honglai; Wu, Jianzhong

    2013-08-14

    Direct correlation functions (DCFs) play a pivotal role in the applications of classical density functional theory (DFT) to addressing the thermodynamic properties of inhomogeneous systems beyond the local-density or mean-field approximations. Whereas numerous studies have been dedicated to the radial distribution functions of liquid water--the most important solvent on earth, relatively little attention has been given to the site-site DCFs. The water DCFs are long-ranged and difficult to calculate directly by simulation, and the predictions from conventional liquid-state theories have been rarely calibrated. Here we report a computational procedure for accurate evaluation of the site-site DCFs of liquid water based on three popular molecular models (viz., SPC, SPC∕E, and TIP3P). The numerical results provide a benchmark for calibration of conventional liquid-state theories and fresh insights into development of new DFT methods. We show that: (1) the long-range behavior of the site-site DCFs depends on both the molecular model and the thermodynamic condition; (2) the asymptotic limit of DCFs at large distance does not follow the mean-spherical approximation (MSA); (3) individual site-site DCFs are long ranged (~40 nm) but a summation of all DCF pairs exhibits only short-range behavior (~1 nm or a few water diameters); (4) the site-site bridge correlation functions behave as the DCFs, i.e., they are also long-ranged while the summation of all bridge correlation functions is short ranged. Our analytical and numerical analyses of the DCFs provide some simple strategies for possible improvement of the numerical performance of conventional liquid-state theories.

  17. Baseline risk assessment of ground water contamination at the inactive uriniferous lignite ashing site near Belfield, North Dakota

    SciTech Connect

    1994-08-01

    This Baseline Risk Assessment of Ground Water Contamination at the Inactive Uraniferous Lignite Ashing Site Near Belfield, North Dakota, evaluates potential impacts to public health or the environment resulting from ground water contamination at the site where coal containing uranium was burned to produce uranium. The US Department of Energy`s Uranium Mill Tailings Remedial Action (UMTRA) Project is evaluating plans to remedy soil and ground water contamination at the site. Phase I of the UMTRA Project consists of determining the extent of soil contamination. Phase II of the UMTRA Project consists of evaluating ground water contamination. Under Phase II, results of this risk assessment will help determine what remedial actions may be necessary for contaminated ground water at the site. This risk assessment evaluates the potential risks to human health and the environment resulting from exposure to contaminated ground water as it relates to historic processing activities at the site. Potential risk is quantified for constituents introduced from the processing activities, and not for those constituents naturally occurring in water quality in the site vicinity. Background ground water quality has the potential to cause adverse health effects from exposure through drinking. Any risks associated with contaminants attributable to site activities are incremental to these risks from background ground water quality. This incremental risk from site-related contaminants is quantified in this risk assessment. The baseline risk from background water quality is incorporated only into the assessment of potential chemical interactions and the definition of the overall site condition.

  18. Correlated structural kinetics and retarded solvent dynamics at the metalloprotease active site

    SciTech Connect

    Grossman, Moran; Born, Benjamin; Heyden, Matthias; Tworowski, Dmitry; Fields, Gregg B.; Sagi, Irit; Havenith, Martina

    2011-09-18

    Solvent dynamics can play a major role in enzyme activity, but obtaining an accurate, quantitative picture of solvent activity during catalysis is quite challenging. Here, we combine terahertz spectroscopy and X-ray absorption analyses to measure changes in the coupled water-protein motions during peptide hydrolysis by a zinc-dependent human metalloprotease. These changes were tightly correlated with rearrangements at the active site during the formation of productive enzyme-substrate intermediates and were different from those in an enzyme–inhibitor complex. Molecular dynamics simulations showed a steep gradient of fast-to-slow coupled protein-water motions around the protein, active site and substrate. Our results show that water retardation occurs before formation of the functional Michaelis complex. We propose that the observed gradient of coupled protein-water motions may assist enzyme-substrate interactions through water-polarizing mechanisms that are remotely mediated by the catalytic metal ion and the enzyme active site.

  19. Polarizability of the active site of cytochrome c reduces the activation barrier for electron transfer

    PubMed Central

    Dinpajooh, Mohammadhasan; Martin, Daniel R.; Matyushov, Dmitry V.

    2016-01-01

    Enzymes in biology’s energy chains operate with low energy input distributed through multiple electron transfer steps between protein active sites. The general challenge of biological design is how to lower the activation barrier without sacrificing a large negative reaction free energy. We show that this goal is achieved through a large polarizability of the active site. It is polarized by allowing a large number of excited states, which are populated quantum mechanically by electrostatic fluctuations of the protein and hydration water shells. This perspective is achieved by extensive mixed quantum mechanical/molecular dynamics simulations of the half reaction of reduction of cytochrome c. The barrier for electron transfer is consistently lowered by increasing the number of excited states included in the Hamiltonian of the active site diagonalized along the classical trajectory. We suggest that molecular polarizability, in addition to much studied electrostatics of permanent charges, is a key parameter to consider in order to understand how enzymes work. PMID:27306204

  20. Ground water maps of Hanford Site Separations Areas, December 1989

    SciTech Connect

    Kasza, G.L.

    1990-06-01

    The Separations Areas consist of the 200 East and 200 West areas and the surrounding vicinity on the Hanford Site. Chemical processing operations are carried out in the Separations Areas by Westinghouse Hanford Company for the US Department of Energy-Richland Operations Office. This set of ground water maps consists of: (1) Separations Areas depth-to-water map, (2) Separations Areas water table map, and (3) a map comparing the potentiometric surface of the Rattlesnake Ridge confined aquifer with the water table of the unconfined aquifer. The field measurements for these maps were collected during December 1989. 3 figs., 1 tab.

  1. Hanford Site ground-water monitoring for July through December 1987

    SciTech Connect

    Evans, J.C.; Dennison, D.I.; Bryce, R.W.; Mitchell, P.J.; Sherwood, D.R.; Krupka, K.M.; Hinman, N.W.; Jacobson, E.A.; Freshley, M.D.

    1988-12-01

    The Pacific Northwest Laboratory monitors ground-water quality at the Hanford Site for the US Department of Energy to assess the impact of Site operations on the environment. Work undertaken between July and December 1987 included monitoring ground-water elevations across the Site, monitoring hazardous chemicals and radionuclides in ground water, geochemical evaluations of unconfined ground-water data, and calibration of ground-water flow and transport models. Water levels continued to rise in areas receiving increased recharge (e.g., beneath B Pond) and decline in areas where the release of water to disposal facilities has been terminated (e.g., U Pond). The major areas of ground-water contamination defined by monitoring activities are (1) carbon tetrachloride in the 200-West Area; (2) cyanide in and north of the 200-East and 200-West Areas; (3) hexavalent chromium contamination in the 100-B, 100-D, 100-F, 100-H, 100-K, and 200-West Areas; (4) chlorinated hydrocarbons in the vicinity of the Central Landfill and 300 Area; (5) uranium in the 100-F, 100-H, 200-West, and 300 Areas; and (6) tritium and nitrate across the Site. The MINTEQ geochemical code was used to identify chemical reactions that may be affecting the concentrations of dissolved hazardous chemicals in the unconfined ground water. Results indicate that many cations are present mainly as dissolved carbonate complexes and that a majority of the ground-water samples are in near equilibrium with carbonate minerals (e.g., calcite, dolomite, otavite).

  2. Hanford Site ground-water monitoring for 1991

    SciTech Connect

    Evans, J.C.; Bryce, R.W.; Bates, D.J.

    1992-10-01

    The Pacific Northwest Laboratory (PNL) monitors the distribution of radionuclides and other hazardous materials in ground water at the Hanford Site for the US Department of Energy (DOE). This work is performed through the Ground-Water Surveillance Project and is designed to meet the requirements of DOE Order 5400.1 that apply to environmental surveillance and ground-water monitoring (DOE 1988). This annual report discusses results of ground-water monitoring at the Hanford Site during 1991. In addition to the general discussion, the following topics are discussed in detail: (1) carbon tetrachloride in the 200-West Area; (2) cyanide in and north of the 200-East and the 200-West areas; (3) hexavalent chromium contamination in the 100, 200, and 600 areas; (4) trichloroethylene in the vicinity of the Solid Waste Landfill, 100-F Area, and 300 Area; (5) nitrate across the Site; (6) tritium across the Site; and (7) other radionuclide contamination throughout the Site, including gross alpha, gross beta, cobalt-60, strontium-90, technetium-99, iodine-129, cesium-137, uranium, and plutonium.

  3. A single-site multipole model for liquid water

    NASA Astrophysics Data System (ADS)

    Tran, Kelly N.; Tan, Ming-Liang; Ichiye, Toshiko

    2016-07-01

    Accurate and efficient empirical potential energy models that describe the atomistic interactions between water molecules in the liquid phase are essential for computer simulations of many problems in physics, chemistry, and biology, especially when long length or time scales are important. However, while models with non-polarizable partial charges at four or five sites in a water molecule give remarkably good values for certain properties, deficiencies have been noted in other properties and increasing the number of sites decreases computational efficiency. An alternate approach is to utilize a multipole expansion of the electrostatic potential due to the molecular charge distribution, which is exact outside the charge distribution in the limits of infinite distances or infinite orders of multipoles while partial charges are a qualitative representation of electron density as point charges. Here, a single-site multipole model of water is presented, which is as fast computationally as three-site models but is also more accurate than four- and five-site models. The dipole, quadrupole, and octupole moments are from quantum mechanical-molecular mechanical calculations so that they account for the average polarization in the liquid phase, and represent both the in-plane and out-of-plane electrostatic potentials of a water molecule in the liquid phase. This model gives accurate thermodynamic, dynamic, and dielectric properties at 298 K and 1 atm, as well as good temperature and pressure dependence of these properties.

  4. Water resources activities in Kentucky, 1986

    USGS Publications Warehouse

    Faust, R. J.

    1986-01-01

    The U.S. Geological Survey, Water Resources Division, conducts three major types of activities in Kentucky in order to provide hydrologic information and understanding needed for the best management of Kentucky 's and the Nation 's water resources. These activities are: (1) Data collection and dissemination; (2) Water-resources appraisals (interpretive studies); and (3) Research. Activities described in some detail following: (1) collection of surface - and groundwater data; (2) operation of stations to collect data on water quality, atmospheric deposition, and sedimentation; (3) flood investigations; (4) water use; (5) small area flood hydrology; (6) feasibility of disposal of radioactive disposal in deep crystalline rocks; (7) development of a groundwater model for the Louisville area; (8) travel times for streams in the Kentucky River Basin; (9) the impact of sinkholes and streams on groundwater flow in a carbonate aquifer system; (10) sedimentation and erosion rates at the Maxey Flats Radioactive Waste Burial site; and (11) evaluation of techniques for evaluating the cumulative impacts of mining as applied to coal fields in Kentucky. (Lantz-PTT)

  5. Identification of Ice Nucleation Active Sites on Silicate Dust Particles

    NASA Astrophysics Data System (ADS)

    Zolles, Tobias; Burkart, Julia; Häusler, Thomas; Pummer, Bernhard; Hitzenberger, Regina; Grothe, Hinrich

    2015-04-01

    Mineral dusts originating from Earth's crust are known to be important atmospheric ice nuclei. In agreement with earlier studies, feldspar was found as the most active of the tested natural mineral dusts [1-3]. Nevertheless, among those structures K-feldspar showed by far the highest ice nucleation activity. In this study, the reasons for its activity and the difference in the activity of the different feldspars were investigated in closer details. Conclusions are drawn from scanning electron microscopy, X-ray powder diffraction, infrared spectroscopy, and oil-immersion freezing experiments. We give a potential explanation of the increased ice nucleation activity of K-feldspar. The ice nucleating sites are very much dependent on the alkali ion present by altering the water structure and the feldspar surface. The higher activity of K-feldspar can be attributed to the presence of potassium ions on the surface and surface bilayer. The alkali-ions have different hydration shells and thus an influence on the ice nucleation activity of feldspar. Chaotropic behavior of Calcium and Sodium ions are lowering the ice nucleation potential of the other feldspars, while kosmotropic Potassium has a neutral or even positive effect. Furthermore we investigated the influence of milling onto the ice nucleation of quartz particles. The ice nucleation activity can be increased by mechanical milling, by introducing more molecular, nucleation active defects to the particle surface. This effect is larger than expected by plane surface increase. [1] Atkinson et al. The Importance of Feldspar for Ice Nucleation by Mineral Dust in Mixed-Phase Clouds. Nature 2013, 498, 355-358. [2] Yakobi-Hancock et al.. Feldspar Minerals as Efficient Deposition Ice Nuclei. Atmos. Chem. Phys. 2013, 13, 11175-11185. [3] Zolles et al. Identification of Ice Nucleation Active Sites on Feldspar Dust Particles. J. Phys. Chem. A 2015 accepted.

  6. Shallow Water UXO Technology Demonstration Site Scoring Record No. 7

    DTIC Science & Technology

    2007-05-01

    to eat lunch and charge the battery – using the truck instead of the trickle charger . Downtime equipment 85 1425 1450 Surveying. Collecting data...sensor array designed by 3DGeophysics. Testing was conducted at ATC, Standardized Shallow Water UXO Technology Demonstration Site. A description of...available on the capabilities of shallow water detection systems when these criteria were developed. However, they were used in the design of the test

  7. Land utilization and water resource inventories over extended test sites

    NASA Technical Reports Server (NTRS)

    Hoffer, R. M.

    1972-01-01

    In addition to the work on the corn blight this year, several other analysis tests were completed which resulted in significant findings. These aspects are discussed as follows: (1) field spectral measurements of soil conditions; (2) analysis of extended test site data; this discussion involves three different sets of data analysis sequences; (3) urban land use analysis, for studying water runoff potentials; and (4) thermal data quality study, as an expansion of our water resources studies involving temperature calibration techniques.

  8. Evaluation of water-effect ratio methodology for establishing site-specific water quality criteria

    SciTech Connect

    Welsh, P.G.; Lipton, J.; Chapman, G.A.

    2000-06-01

    One approach outlined by the US Environmental Protection Agency (US EPA) for derivation of site-specific water quality criteria for metals in natural surface waters involves the development of water-effect ratios (WERs). This approach entails multiplying national water quality criteria by an experimentally derived WER, where the WER is defined as the ratio of the toxicity of the metal in the site water to the toxicity of the same metal in standard laboratory water. The authors discuss technical issues associated with test methods described in the US EPA WER guidance documents that may lead to inappropriate WERs. Critical issues include accounting for differences in calcium and magnesium concentrations (Ca:Mg ratios), alkalinity, and pH between site and laboratory waters; ensuring appropriate fish acclimation; and accounting for interspecies variability, multiple metals interactions, end-point variability, and temporal and spatial variability in the derivation of the WER. Failure to address these issues may have the unintended effect of deriving site-specific water quality criteria that are underprotective of aquatic life. The authors recommend that WER testing and future regulatory guidance for derivation of site-specific water quality criteria incorporate consideration of these potential confounding variables so that site-specific criteria can be established with greater confidence.

  9. Mutations inducing an active-site aperture in Rhizobium sp. sucrose isomerase confer hydrolytic activity.

    PubMed

    Lipski, Alexandra; Watzlawick, Hildegard; Ravaud, Stéphanie; Robert, Xavier; Rhimi, Moez; Haser, Richard; Mattes, Ralf; Aghajari, Nushin

    2013-02-01

    Sucrose isomerase is an enzyme that catalyzes the production of sucrose isomers of high biotechnological and pharmaceutical interest. Owing to the complexity of the chemical synthesis of these isomers, isomaltulose and trehalulose, enzymatic conversion remains the preferred method for obtaining these products. Depending on the microbial source, the ratio of the sucrose-isomer products varies significantly. In studies aimed at understanding and explaining the underlying molecular mechanisms of these reactions, mutations obtained using a random-mutagenesis approach displayed a major hydrolytic activity. Two of these variants, R284C and F164L, of sucrose isomerase from Rhizobium sp. were therefore crystallized and their crystal structures were determined. The three-dimensional structures of these mutants allowed the identification of the molecular determinants that favour hydrolytic activity compared with transferase activity. Substantial conformational changes resulting in an active-site opening were observed, as were changes in the pattern of water molecules bordering the active-site region.

  10. MYST protein acetyltransferase activity requires active site lysine autoacetylation.

    PubMed

    Yuan, Hua; Rossetto, Dorine; Mellert, Hestia; Dang, Weiwei; Srinivasan, Madhusudan; Johnson, Jamel; Hodawadekar, Santosh; Ding, Emily C; Speicher, Kaye; Abshiru, Nebiyu; Perry, Rocco; Wu, Jiang; Yang, Chao; Zheng, Y George; Speicher, David W; Thibault, Pierre; Verreault, Alain; Johnson, F Bradley; Berger, Shelley L; Sternglanz, Rolf; McMahon, Steven B; Côté, Jacques; Marmorstein, Ronen

    2012-01-04

    The MYST protein lysine acetyltransferases are evolutionarily conserved throughout eukaryotes and acetylate proteins to regulate diverse biological processes including gene regulation, DNA repair, cell-cycle regulation, stem cell homeostasis and development. Here, we demonstrate that MYST protein acetyltransferase activity requires active site lysine autoacetylation. The X-ray crystal structures of yeast Esa1 (yEsa1/KAT5) bound to a bisubstrate H4K16CoA inhibitor and human MOF (hMOF/KAT8/MYST1) reveal that they are autoacetylated at a strictly conserved lysine residue in MYST proteins (yEsa1-K262 and hMOF-K274) in the enzyme active site. The structure of hMOF also shows partial occupancy of K274 in the unacetylated form, revealing that the side chain reorients to a position that engages the catalytic glutamate residue and would block cognate protein substrate binding. Consistent with the structural findings, we present mass spectrometry data and biochemical experiments to demonstrate that this lysine autoacetylation on yEsa1, hMOF and its yeast orthologue, ySas2 (KAT8) occurs in solution and is required for acetylation and protein substrate binding in vitro. We also show that this autoacetylation occurs in vivo and is required for the cellular functions of these MYST proteins. These findings provide an avenue for the autoposttranslational regulation of MYST proteins that is distinct from other acetyltransferases but draws similarities to the phosphoregulation of protein kinases.

  11. MYST protein acetyltransferase activity requires active site lysine autoacetylation

    PubMed Central

    Yuan, Hua; Rossetto, Dorine; Mellert, Hestia; Dang, Weiwei; Srinivasan, Madhusudan; Johnson, Jamel; Hodawadekar, Santosh; Ding, Emily C; Speicher, Kaye; Abshiru, Nebiyu; Perry, Rocco; Wu, Jiang; Yang, Chao; Zheng, Y George; Speicher, David W; Thibault, Pierre; Verreault, Alain; Johnson, F Bradley; Berger, Shelley L; Sternglanz, Rolf; McMahon, Steven B; Côté, Jacques; Marmorstein, Ronen

    2012-01-01

    The MYST protein lysine acetyltransferases are evolutionarily conserved throughout eukaryotes and acetylate proteins to regulate diverse biological processes including gene regulation, DNA repair, cell-cycle regulation, stem cell homeostasis and development. Here, we demonstrate that MYST protein acetyltransferase activity requires active site lysine autoacetylation. The X-ray crystal structures of yeast Esa1 (yEsa1/KAT5) bound to a bisubstrate H4K16CoA inhibitor and human MOF (hMOF/KAT8/MYST1) reveal that they are autoacetylated at a strictly conserved lysine residue in MYST proteins (yEsa1-K262 and hMOF-K274) in the enzyme active site. The structure of hMOF also shows partial occupancy of K274 in the unacetylated form, revealing that the side chain reorients to a position that engages the catalytic glutamate residue and would block cognate protein substrate binding. Consistent with the structural findings, we present mass spectrometry data and biochemical experiments to demonstrate that this lysine autoacetylation on yEsa1, hMOF and its yeast orthologue, ySas2 (KAT8) occurs in solution and is required for acetylation and protein substrate binding in vitro. We also show that this autoacetylation occurs in vivo and is required for the cellular functions of these MYST proteins. These findings provide an avenue for the autoposttranslational regulation of MYST proteins that is distinct from other acetyltransferases but draws similarities to the phosphoregulation of protein kinases. PMID:22020126

  12. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site near Maybell, Colorado

    SciTech Connect

    1996-03-01

    The U.S. Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project consists of the Surface Project (Phase I) and the Ground Water Project (Phase II). Under the UMTRA Surface Project, tailings, contaminated soil, building foundations, and materials associated with the former processing of uranium ore at UMTRA Project sites are placed into disposal cells. The cells are designed to reduce radon and other radiation emissions and to prevent further contamination of ground water. One UMTRA Project site is near Maybell, Colorado. Surface cleanup at this site began in 1995 and is scheduled for completion in 1996. The tailings are being stabilized in place at this site. The disposal area has been withdrawn from public use by the DOE and is referred to as the permanent withdrawal area. The Ground Water Project evaluates the nature and extent of ground water contamination resulting from past uranium ore processing activities. The Ground Water Project at this site is in its beginning stages. This report is a site-specific document that will be used to evaluate current and future potential impacts to the public and the environment from exposure to contaminated ground water. The results presented in this document and other evaluations will determine whether any action is needed to protect human health or the environment.

  13. Geochemical Data from Produced Water Contamination Investigations: Osage-Skiatook Petroleum Environmental Research (OSPER) Sites, Osage County, Oklahoma

    USGS Publications Warehouse

    Thordsen, James J.; Kharaka, Yousif K.; Ambats, Gil; Kakouros, Evangelos; Abbott, Marvin M.

    2007-01-01

    We report chemical and isotopic analyses of 345 water samples collected from the Osage-Skiatook Petroleum Environmental Research (OSPER) project. Water samples were collected as part of an ongoing multi-year USGS investigation to study the transport, fate, natural attenuation, and ecosystem impacts of inorganic salts and organic compounds present in produced water releases at two oil and gas production sites from an aging petroleum field located in Osage County, in northeast Oklahoma. The water samples were collected primarily from monitoring wells and surface waters at the two research sites, OSPER A (legacy site) and OSPER B (active site), during the period March, 2001 to February, 2005. The data include produced water samples taken from seven active oil wells, one coal-bed methane well and two domestic groundwater wells in the vicinity of the OSPER sites.

  14. Baseline risk assessment of ground water contamination at the inactive uraniferous lignite ashing site near Bowman, North Dakota

    SciTech Connect

    Not Available

    1994-11-01

    This baseline risk assessment of ground water contamination at the inactive uraniferous lignite ashing site near Bowman, North Dakota, evaluates the potential impacts to public health or the environment from contaminated ground water at this site. This contamination is a result of the uraniferous lignite ashing process, when coal containing uranium was burned to produce uranium. Potential risk is quantified only for constituents introduced by the processing activities and not for the constituents naturally occurring in background ground water in the site vicinity. Background ground water, separate from any site-related contamination, imposes a percentage of the overall risk from ground water ingestion in the Bowman site vicinity. The US Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project is developing plans to address soil and ground water contamination at the site. The UMTRA Surface Project involves the determination of the extent of soil contamination and design of an engineered disposal cell for long-term storage of contaminated materials. The UMTRA Ground Water Project evaluates ground water contamination. Based on results from future site monitoring activities as defined in the site observational work plan and results from this risk assessment, the DOE will propose an approach for managing contaminated ground water at the Bowman site.

  15. Siting Wind Facilities on State-Owned Lands and Waters

    SciTech Connect

    McElfish, J.M; McLinn, C.

    2011-04-30

    Commercial-scale wind facilities require large areas of land. Given the increasing interest by state government in wind power as a means of transforming the energy economy and meeting future energy needs, state government should consider when to allow use of state-owned lands, including submerged lands, for siting of wind facilities. About half the states have at least some experience authorizing use of some state-owned lands for wind power projects. This study identifies: the types of state lands and water that are most likely to be considered for commercial-scale wind siting; the agencies, laws, and rules that affect their potential use, and leasing; wind facilities currently authorized or under consideration for state lands and waters; and inventory mechanisms developed by states to evaluate what state-owned lands and waters are suitable or appropriate for wind facilities.

  16. Lessons Learned for Construction and Waste Water Management at Radioactive Waste Closure Site

    SciTech Connect

    Anderson, K.D.

    2008-07-01

    Environmental remediation of three different radioactive waste closure sites each required exhaustive characterization and evaluation of sampling and analytical information in resolving regulatory and technical issues that impact cleanup activities. One of the many regulatory and technical issues shared by all three and impacting the cleanup activities is the compliant management and discharge of waste waters generated and resulting from the remediation activities. Multiple options were available for each closure site in resolving waste water management challenges depending upon the base regulatory framework defined for the cleanup or closure of the site. These options are typically regulated by the federal Clean Water Act (CWA), with exemptions available under the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and the Superfund Amendments and Reauthorization Act of 1986 (SARA) or Memorandum of Understanding (MOU) between regulatory agencies. In general, all parties must demonstrate equivalent compliance when concerns related to the protection of the general public and the environment. As such, all options for management of waste water resulting from closure activities must demonstrate compliance to or equivalent actions under the CWA. The CWA provides for the National Pollution Discharge Elimination System (NPDES) that is typically maintained by individual states through permitting process to generators, public utilities, and more recently, construction sites. Of the three sites, different compliance strategies were employed for each. The approach for the Columbus Closure Project (CCP) was to initiate full scale compliance to the Ohio EPA General Construction Permit No. OHC000002. The CCP provided Notice of Intent (NOI) to the Ohio EPA to discharge under the general permit according to the regulator approved Storm Water Pollution Prevention Plan. For the second site, the Li Tungsten Superfund Site in Glen Cove, New York, the option

  17. Radioactive Water Treatment at a United States Environmental Protection Agency Superfund Site - 12322

    SciTech Connect

    Beckman, John C.

    2012-07-01

    A water treatment system at a United States Environmental Protection Agency (USEPA) Superfund site impacted by radiological contaminants is used to treat water entering the site. The United States Army Corps of Engineers (USACE) is actively managing the remedial action for the USEPA using contracts to support the multiple activities on site. The site is where former gas mantle production facilities operated around the turn of the century. The manufacturing facilities used thorium ores to develop the mantles and disposed of off-specification mantles and ore residuals in the surrounding areas. During Site remedial actions, both groundwater and surface water comes into contact with contaminated soils and must be collected and treated at an on-site treatment facility. The radionuclides thorium and radium with associated progeny are the main concern for treatment. Suspended solids, volatile organic compounds, and select metals are also monitored during water treatment. The water treatment process begins were water is pumped to a collection tank where debris and grit settle out. Stored water is pumped to a coagulant tank containing poly-aluminum chloride to collect dissolved solids. The water passes into a reaction tube where aspirated air is added or reagent added to remove Volatile Organic Compounds (VOC'S) by mass transfer and convert dissolved iron to a solid. The water enters the flocculent polymer tank to drop solids out. The flocculated water overflows to a fluidized bed contact chamber to increase precipitation. Flocculation is where colloids of material drop out of suspension and settle. The settled solids are periodically removed and disposed of as radioactive waste. The water is passed through filters and an ion exchange process to extract the radionuclides. Several million liters of water are processed each year from two water treatment plants servicing different areas of the remediation site. Ion exchange resin and filter material are periodically replaced

  18. Overview of Ground-Water Recharge Study Sites

    USGS Publications Warehouse

    Constantz, Jim; Adams, Kelsey S.; Stonestrom, David A.

    2007-01-01

    Multiyear studies were done to examine meteorologic and hydrogeologic controls on ephemeral streamflow and focused ground-water recharge at eight sites across the arid and semiarid southwestern United States. Campaigns of intensive data collection were conducted in the Great Basin, Mojave Desert, Sonoran Desert, Rio Grande Rift, and Colorado Plateau physiographic areas. During the study period (1997 to 2002), the southwestern region went from wetter than normal conditions associated with a strong El Ni?o climatic pattern (1997?1998) to drier than normal conditions associated with a La Ni?a climatic pattern marked by unprecedented warmth in the western tropical Pacific and Indian Oceans (1998?2002). The strong El Ni?o conditions roughly doubled precipitation at the Great Basin, Mojave Desert, and Colorado Plateau study sites. Precipitation at all sites trended generally lower, producing moderate- to severe-drought conditions by the end of the study. Streamflow in regional rivers indicated diminishing ground-water recharge conditions, with annual-flow volumes declining to 10?46 percent of their respective long-term averages by 2002. Local streamflows showed higher variability, reflecting smaller scales of integration (in time and space) of the study-site watersheds. By the end of the study, extended periods (9?15 months) of zero or negligible flow were observed at half the sites. Summer monsoonal rains generated the majority of streamflow and associated recharge in the Sonoran Desert sites and the more southerly Rio Grande Rift site, whereas winter storms and spring snowmelt dominated the northern and westernmost sites. Proximity to moisture sources (primarily the Pacific Ocean and Gulf of California) and meteorologic fluctuations, in concert with orography, largely control the generation of focused ground-water recharge from ephemeral streamflow, although other factors (geology, soil, and vegetation) also are important. Watershed area correlated weakly with focused

  19. Field Summary Report for Remedial Investigation of Hanford Site Releases to the Columbia River, Hanford Site, Washington, Collection of Surface Water, River Sediments, and Island Soils

    SciTech Connect

    L. C. Hulstrom

    2009-09-28

    This report has been prepared in support of the remedial investigation of Hanford Site Releases to the Columbia River and describes the 2008/2009 data collection efforts. This report documents field activities associated with collection of sediment, river water, and soil in and adjacent to the Columbia River near the Hanford Site and in nearby tributaries.

  20. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site at Grand Junction, Colorado. Revision 1

    SciTech Connect

    Not Available

    1994-09-01

    This risk assessment evaluates potential impacts to public health or the environment resulting from ground water contamination at the former uranium mill processing site. The tailings and other contaminated material at this site were placed in an off-site disposal cell by the US Department of Energy`s (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project. The remedial activities at the site were conducted from 1989 to 1993. Currently, the UMTRA Project is evaluating ground water contamination. This risk assessment evaluates the most contaminated ground water that flows beneath the processing site toward the Colorado River. The monitor wells that have consistently shown the highest concentrations of most contaminants are used to assess risk. This risk assessment will be used in conjunction with additional activities and documents to determine what remedial action may be needed for contaminated ground water at the site.

  1. ACTIVATED CARBON FROM LIGNITE FOR WATER TREATMENT

    SciTech Connect

    Edwin S. Olson; Daniel J. Stepan

    2000-07-01

    of sorption sites. The effect of pH on adsorption was investigated using buffered solutions. The sorption capacity decreased with increasing pH. A study of the effect of activation conditions on the adsorption capacity of the resulting carbon showed that steam activation at 750 C provides the optimum activity with the high-sodium char. An attempt to scale up the carbon production to the 2-kg scale failed to produce the same high activity that was obtained in the 100-g batch unit. Although this research demonstrated that a highly active carbon for water treatment can be produced from high-sodium lignites, much further work is needed to understand what methods and equipment will be needed for large-scale production of this carbon.

  2. A calorimetric method to determine water activity

    NASA Astrophysics Data System (ADS)

    Björklund, Sebastian; Wadsö, Lars

    2011-11-01

    A calorimetric method to determine water activity covering the full range of the water activity scale is presented. A dry stream of nitrogen gas is passed either over the solution whose activity should be determined or left dry before it is saturated by bubbling through water in an isothermal calorimeter. The unknown activity is in principle determined by comparing the thermal power of vaporization related to the gas stream with unknown activity to that with zero activity. Except for three minor corrections (for pressure drop, non-perfect humidification, and evaporative cooling) the unknown water activity is calculated solely based on the water activity end-points zero and unity. Thus, there is no need for calibration with references with known water activities. The method has been evaluated at 30 °C by measuring the water activity of seven aqueous sodium chloride solutions ranging from 0.1 mol kg-1 to 3 mol kg-1 and seven saturated aqueous salt solutions (LiCl, MgCl2, NaBr, NaCl, KCl, KNO3, and K2SO4) with known water activities. The performance of the method was adequate over the complete water activity scale. At high water activities the performance was excellent, which is encouraging as many other methods used for water activity determination have limited performance at high water activities.

  3. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Sites near Rifle, Colorado

    SciTech Connect

    1995-05-01

    The ground water project evaluates the nature and extent of ground water contamination resulting from the uranium ore processing activities. This report is a site specific document that will be used to evaluate current and future impacts to the public and the environment from exposure to contaminated ground water. Currently, no one is using the ground water and therefore, no one is at risk. However, the land will probably be developed in the future and so the possibility of people using the ground water does exist. This report examines the future possibility of health hazards resulting from the ingestion of contaminated drinking water, skin contact, fish ingestion, or contact with surface waters and sediments.

  4. EPA GROUND WATER ISSUE: Ground Water Sample Preservation at ISCO Sites – Recommended Guidelines

    EPA Science Inventory

    In-situ chemical oxidation (ISCO) involves the introduction of a chemical oxidant into the subsurface for the purpose of transforming ground water contaminants into harmless byproducts. Due to oxidant persistence, ground water samples collected at hazardous waste sites may contai...

  5. First Principles Computational Study of the Active Site of Arginase

    SciTech Connect

    Ivanov, Ivaylo; Klien, Micheal

    2004-01-14

    Ab initio density functional theory (DFT) methods were used to investigate the structural features of the active site of the binuclear enzyme rat liver arginase. Special emphasis was placed on the crucial role of the second shell ligand interactions. These interactions were systematically studied by performing calculations on models of varying size. It was determined that a water molecule, and not hydroxide, is the bridging exogenous ligand. The carboxylate ligands facilitate the close approach of the Mn (II) ions by attenuating the metal-metal electrostatic repulsion. Of the two metals, MnA was shown to carry a larger positive charge. Analysis of the electronic properties of the active site revealed that orbitals involving the terminal Asp234 residue, as well as the flexible -1,1 bridging Asp232, lie at high energies, suggesting weaker coordination. This is reflected in certain structural variability present in our models and is also consistent with recent experimental findings. Finally, implications of our findings for the biological function of the enzyme are delineated.

  6. Environmental assessment for the domestic water supply upgrades and consolidation on the Savannah River Site

    SciTech Connect

    Not Available

    1994-06-01

    The domestic water systems on the Savannah River Site (SRS) are currently in need of upgrading to ensure compliance with the Safe Drinking Water Act and South Carolina Department of Health and Environmental Control (SCDHEC) Drinking Water Regulations. The SRS has 28 separate goundwater-based drinking water systems in use across the site. These aging systems were designed and constructed in the 1950s and are now facing increasing difficulties in meeting cur-rent regulations. Audits of the systems conducted by SCDHEC in 1986, 1988, 1991, and 1993 identified shortfalls in meeting the requirements for secondary maximum containment levels (MCLS) and SCDHEC design standards. Secondary MCLs are those items, such as odor or appearance, that do not pose a direct health impact. SRS has committed to SCDHEC to correct the drinking water discrepancies and construct two new consolidated inter-area drinking water systems. Upgrading the SRS drinking water systems would be necessary to support site activities regardless of the makeup or the mission at SRS. As such, the proposed upgrade and consolidation of SRS domestic water systems is treated as part of the ``No Action`` alternative for the Programmatic Environmental Impact Statement for Reconfiguration of the Nuclear Weapons Complex .

  7. Magnificent Ground Water Connection. [Sample Activities].

    ERIC Educational Resources Information Center

    Environmental Protection Agency, Washington, DC.

    Water conservation and usage is an important concept in science. This document, geared specifically to New England, provides many activities for protecting and discussing ground water situations. Sample activities for grades K-6 include: (1) All the Water in the World; (2) The Case of the Disappearing Water; (3) Deep Subjects--Wells and Ground…

  8. Hanford Site ground-water monitoring for January through June 1988

    SciTech Connect

    Evans, J.C.; Bryce, R.W.; Sherwood, D.R.

    1989-05-01

    The Pacific Northwest Laboratory monitors ground-water quality at the Hanford Site for the US Department of Energy to assess the impact of Site operations on the environment. Work undertaken between January and June 1988 included monitoring ground-water elevations across the Site, and monitoring hazardous chemicals and radionuclides in ground water. Water levels continued to rise in areas receiving increased recharge (e.g., beneath B Pond) and decline in areas where the release of water to disposal facilities has been terminated (e.g., U Pond). The major areas of ground-water contamination defined by monitoring activities are (1) carbon tetrachloride in the 200-West Area; (2) cyanide in and north of the 200-East and 200-West Areas; (3) hexavalent chromium contamination in the 100-B, 100-D, 100-F, 100-H, 100-K, and 200-West Areas; (4) chlorinated hydrocarbons in the vicinity of the Solid Waste Landfill and 300 Area; (5) uranium in the 100-F, 100-H, 200-West, and 300 Areas; and (6) tritium and nitrate across the Site. In addition, several new analytical initiatives were undertaken during this period. These include cyanide speciation in the BY Cribs plume, inductively coupled argon plasma/mass spectrometry (ICP/MS) measurements on a broad selection of samples from the 100, 200, 300, and 600 Areas, and high sensitivity gas chromatography measurements performed at the Solid Waste Landfill-Nonradioactive Dangerous Waste Landfill. 23 figs., 25 tabs.

  9. The active site of ribulose-bisphosphate carboxylase/oxygenase

    SciTech Connect

    Hartman, F.C.

    1991-01-01

    The active site of ribulose-bisphosphate carboxylase/oxygenase requires interacting domains of adjacent, identical subunits. Most active-site residues are located within the loop regions of an eight-stranded {beta}/{alpha}-barrel which constitutes the larger C-terminal domain; additional key residues are located within a segment of the smaller N-terminal domain which partially covers the mouth of the barrel. Site-directed mutagenesis of the gene encoding the enzyme from Rhodospirillum rubrum has been used to delineate functions of active-site residues. 6 refs., 2 figs.

  10. Remedial action plan and site design for stabilization of the inactive Uranium Mill Tailing site Maybell, Colorado. Attachment 3, ground water hydrology report, Attachment 4, water resources protection strategy. Final report

    SciTech Connect

    Not Available

    1994-06-01

    The U.S. Environmental Protection Agency (EPA) has established health and environmental regulations to correct and prevent ground water contamination resulting from former uranium processing activities at inactive uranium processing sites (40 CFR Part 192 (1993)) (52 FR 36000 (1978)). According to the Uranium Mill Tailings Radiation Control Act (UMTRCA) of 1978 (42 USC {section} 7901 et seq.), the U.S. Department of Energy (DOE) is responsible for assessing the inactive uranium processing sites. The DOE has decided that each assessment will include information on hydrogeologic site characterization. The water resources protection strategy that describes the proposed action compliance with the EPA ground water protection standards is presented in Attachment 4, Water Resources Protection Strategy. Site characterization activities discussed in this section include the following: (1) Definition of the hydrogeologic characteristics of the environment, including hydrostratigraphy, aquifer parameters, areas of aquifer recharge and discharge, potentiometric surfaces, and ground water velocities. (2) Definition of background ground water quality and comparison with proposed EPA ground water protection standards. (3) Evaluation of the physical and chemical characteristics of the contaminant source and/or residual radioactive materials. (4) Definition of existing ground water contamination by comparison with the EPA ground water protection standards. (5) Description of the geochemical processes that affect the migration of the source contaminants at the processing site. (6) Description of water resource use, including availability, current and future use and value, and alternate water supplies.

  11. DOE site performance assessment activities. Radioactive Waste Technical Support Program

    SciTech Connect

    Not Available

    1990-07-01

    Information on performance assessment capabilities and activities was collected from eight DOE sites. All eight sites either currently dispose of low-level radioactive waste (LLW) or plan to dispose of LLW in the near future. A survey questionnaire was developed and sent to key individuals involved in DOE Order 5820.2A performance assessment activities at each site. The sites surveyed included: Hanford Site (Hanford), Idaho National Engineering Laboratory (INEL), Los Alamos National Laboratory (LANL), Nevada Test Site (NTS), Oak Ridge National Laboratory (ORNL), Paducah Gaseous Diffusion Plant (Paducah), Portsmouth Gaseous Diffusion Plant (Portsmouth), and Savannah River Site (SRS). The questionnaire addressed all aspects of the performance assessment process; from waste source term to dose conversion factors. This report presents the information developed from the site questionnaire and provides a comparison of site-specific performance assessment approaches, data needs, and ongoing and planned activities. All sites are engaged in completing the radioactive waste disposal facility performance assessment required by DOE Order 5820.2A. Each site has achieved various degrees of progress and have identified a set of critical needs. Within several areas, however, the sites identified common needs and questions.

  12. Savannah River Site prioritization of transition activities

    SciTech Connect

    Finley, R.H.

    1993-11-01

    Effective management of SRS conversion from primarily a production facility to other missions (or Decontamination and Decommissioning (D&D)) requires a systematic and consistent method of prioritizing the transition activities. This report discusses the design of a prioritizing method developed to achieve systematic and consistent methods of prioritizing these activities.

  13. Safety Oversight of Decommissioning Activities at DOE Nuclear Sites

    SciTech Connect

    Zull, Lawrence M.; Yeniscavich, William

    2008-01-15

    The Defense Nuclear Facilities Safety Board (Board) is an independent federal agency established by Congress in 1988 to provide nuclear safety oversight of activities at U.S. Department of Energy (DOE) defense nuclear facilities. The activities under the Board's jurisdiction include the design, construction, startup, operation, and decommissioning of defense nuclear facilities at DOE sites. This paper reviews the Board's safety oversight of decommissioning activities at DOE sites, identifies the safety problems observed, and discusses Board initiatives to improve the safety of decommissioning activities at DOE sites. The decommissioning of former defense nuclear facilities has reduced the risk of radioactive material contamination and exposure to the public and site workers. In general, efforts to perform decommissioning work at DOE defense nuclear sites have been successful, and contractors performing decommissioning work have a good safety record. Decommissioning activities have recently been completed at sites identified for closure, including the Rocky Flats Environmental Technology Site, the Fernald Closure Project, and the Miamisburg Closure Project (the Mound site). The Rocky Flats and Fernald sites, which produced plutonium parts and uranium materials for defense needs (respectively), have been turned into wildlife refuges. The Mound site, which performed R and D activities on nuclear materials, has been converted into an industrial and technology park called the Mound Advanced Technology Center. The DOE Office of Legacy Management is responsible for the long term stewardship of these former EM sites. The Board has reviewed many decommissioning activities, and noted that there are valuable lessons learned that can benefit both DOE and the contractor. As part of its ongoing safety oversight responsibilities, the Board and its staff will continue to review the safety of DOE and contractor decommissioning activities at DOE defense nuclear sites.

  14. Controlled Orientation of Active Sites in a Nanostructured Multienzyme Complex

    PubMed Central

    Lim, Sung In; Yang, Byungseop; Jung, Younghan; Cha, Jaehyun; Cho, Jinhwan; Choi, Eun-Sil; Kim, Yong Hwan; Kwon, Inchan

    2016-01-01

    Multistep cascade reactions in nature maximize reaction efficiency by co-assembling related enzymes. Such organization facilitates the processing of intermediates by downstream enzymes. Previously, the studies on multienzyme nanocomplexes assembled on DNA scaffolds demonstrated that closer interenzyme distance enhances the overall reaction efficiency. However, it remains unknown how the active site orientation controlled at nanoscale can have an effect on multienzyme reaction. Here, we show that controlled alignment of active sites promotes the multienzyme reaction efficiency. By genetic incorporation of a non-natural amino acid and two compatible bioorthogonal chemistries, we conjugated mannitol dehydrogenase to formate dehydrogenase with the defined active site arrangement with the residue-level accuracy. The study revealed that the multienzyme complex with the active sites directed towards each other exhibits four-fold higher relative efficiency enhancement in the cascade reaction and produces 60% more D-mannitol than the other complex with active sites directed away from each other. PMID:28004799

  15. An evaluation of water quality in private drinking water wells near natural gas extraction sites in the Barnett Shale formation.

    PubMed

    Fontenot, Brian E; Hunt, Laura R; Hildenbrand, Zacariah L; Carlton, Doug D; Oka, Hyppolite; Walton, Jayme L; Hopkins, Dan; Osorio, Alexandra; Bjorndal, Bryan; Hu, Qinhong H; Schug, Kevin A

    2013-09-03

    Natural gas has become a leading source of alternative energy with the advent of techniques to economically extract gas reserves from deep shale formations. Here, we present an assessment of private well water quality in aquifers overlying the Barnett Shale formation of North Texas. We evaluated samples from 100 private drinking water wells using analytical chemistry techniques. Analyses revealed that arsenic, selenium, strontium and total dissolved solids (TDS) exceeded the Environmental Protection Agency's Drinking Water Maximum Contaminant Limit (MCL) in some samples from private water wells located within 3 km of active natural gas wells. Lower levels of arsenic, selenium, strontium, and barium were detected at reference sites outside the Barnett Shale region as well as sites within the Barnett Shale region located more than 3 km from active natural gas wells. Methanol and ethanol were also detected in 29% of samples. Samples exceeding MCL levels were randomly distributed within areas of active natural gas extraction, and the spatial patterns in our data suggest that elevated constituent levels could be due to a variety of factors including mobilization of natural constituents, hydrogeochemical changes from lowering of the water table, or industrial accidents such as faulty gas well casings.

  16. GAS HYDRATES AT TWO SITES OF AN ACTIVE CONTINENTAL MARGIN.

    USGS Publications Warehouse

    Kvenvolden, K.A.

    1985-01-01

    Sediment containing gas hydrates from two distant Deep Sea Drilling Project sites (565 and 568), located about 670 km apart on the landward flank of the Middle America Trench, was studied to determine the geochemical conditions that characterize the occurrence of gas hydrates. Site 565 was located in the Pacific Ocean offshore the Nicoya Peninsula of Costa Rica in 3,111 m of water. The depth of the hole at this site was 328 m, and gas hydrates were recovered from 285 and 319 m. Site 568 was located about 670 km to the northwest offshore Guatemala in 2,031 m of water. At this site the hole penetrated to 418 m, and gas hydrates were encountered at 404 m.

  17. Report of ground water monitoring for expansion of the golf course, Salt Lake City, Utah, vitro processing site

    SciTech Connect

    1995-06-01

    To determine the potential impacts of the proposed golf course expansion on the south side of the Vitro site, ground water data from the UMTRA Vitro processing site were evaluated in response to the U.S. Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project Office request. Golf in the Round, Inc., has proposed an expansion of the present driving range to include a 9-hole golf course on the UMTRA Vitro processing site, which is owned by the Central Valley Water Reclamation Facility (CVWRF). An expanded golf course would increase irrigation and increase the amount of water that could infiltrate the soil, recharging the unconfined aquifer. Increased water levels in the aquifer could alter the ground water flow regime; contaminants in the shallow ground water could then migrate off the site or discharge to surface water in the area. Dewatering of the unconfined aquifer on CVWRF property could also impact site contaminant migration; a significant amount of ground water extraction at CVWRF could reduce the amount of contaminant migration off the site. Since 1978, data have been collected at the site to determine the distribution of tailings materials (removed from the site from 1985 to 1987) and to characterize the presence and migration of contaminants in sediments, soils, surface water, and ground water at the former Vitro processing site. Available data suggest that irrigating an expanded golf course may cause contamination to spread more rapidly within the unconfined aquifer. The public is not at risk from current Vitro processing site activities, nor is risk expected due to golf course expansion. However, ecological risk could increase with increased surface water contamination and the development of ground water seeps.

  18. Active Site and Laminarin Binding in Glycoside Hydrolase Family 55*

    PubMed Central

    Bianchetti, Christopher M.; Takasuka, Taichi E.; Deutsch, Sam; Udell, Hannah S.; Yik, Eric J.; Bergeman, Lai F.; Fox, Brian G.

    2015-01-01

    The Carbohydrate Active Enzyme (CAZy) database indicates that glycoside hydrolase family 55 (GH55) contains both endo- and exo-β-1,3-glucanases. The founding structure in the GH55 is PcLam55A from the white rot fungus Phanerochaete chrysosporium (Ishida, T., Fushinobu, S., Kawai, R., Kitaoka, M., Igarashi, K., and Samejima, M. (2009) Crystal structure of glycoside hydrolase family 55 β-1,3-glucanase from the basidiomycete Phanerochaete chrysosporium. J. Biol. Chem. 284, 10100–10109). Here, we present high resolution crystal structures of bacterial SacteLam55A from the highly cellulolytic Streptomyces sp. SirexAA-E with bound substrates and product. These structures, along with mutagenesis and kinetic studies, implicate Glu-502 as the catalytic acid (as proposed earlier for Glu-663 in PcLam55A) and a proton relay network of four residues in activating water as the nucleophile. Further, a set of conserved aromatic residues that define the active site apparently enforce an exo-glucanase reactivity as demonstrated by exhaustive hydrolysis reactions with purified laminarioligosaccharides. Two additional aromatic residues that line the substrate-binding channel show substrate-dependent conformational flexibility that may promote processive reactivity of the bound oligosaccharide in the bacterial enzymes. Gene synthesis carried out on ∼30% of the GH55 family gave 34 active enzymes (19% functional coverage of the nonredundant members of GH55). These active enzymes reacted with only laminarin from a panel of 10 different soluble and insoluble polysaccharides and displayed a broad range of specific activities and optima for pH and temperature. Application of this experimental method provides a new, systematic way to annotate glycoside hydrolase phylogenetic space for functional properties. PMID:25752603

  19. Guidance document for preparing water sampling and analysis plans for UMTRA sites. Final [report

    SciTech Connect

    Not Available

    1993-09-01

    A water sampling and analysis plan (WSAP) is required for each Uranium Mill Tailings Remedial Action (UMTRA) site to provide rationale for groundwater and surface water sampling at disposal sites and former processing sites. The WSAP identifies and justifies the sampling locations, analytical parameters, detection limits, and sampling frequencies for the groundwater and surface water monitoring stations at each site. Section 2.0 of this WSAP Guidance Document describes the WSAP format. Sections 3.0 and 4.0 provide guidance for selecting sampling frequencies and sampling locations, respectively. Section 5.0 contains criteria for selecting analytical parameters. Section 6.0 provides guidance for the contents of each site`s WSAP file. Finally, Section 7.0 presents the references used to prepare this document. The purpose of this guidance document is to provide a consistent technical approach for sampling and monitoring activities performed under WSAPs and a consistent format for WSAP documents. This document is designed for use by the Technical Assistance Contractor (TAC) to prepare WSAPs and by the US Department of Energy (DOE), Nuclear Regulatory Commission, state and tribal agencies, regulatory agencies, and the public to evaluate the contents of the WSAPS. This guidance document may be updated periodically based on new or changing regulations.

  20. Diffusive flux of PAHs across sediment-water and water-air interfaces at urban superfund sites.

    PubMed

    Minick, D James; Anderson, Kim A

    2017-03-06

    Superfund sites may be a source of polycyclic aromatic hydrocarbons (PAHs) to the surrounding environment. These sites can also act as PAH sinks from present-day anthropogenic activities, especially in urban locations. Understanding PAH transport across environmental compartments helps to define the relative contributions of these sources and is therefore important for informing remedial and management decisions. In the present study, paired passive samplers were co-deployed at sediment-water and water-air interfaces within the Portland Harbor Superfund Site and the McCormick and Baxter Superfund Site. These sites, located along the Willamette River (Portland, OR, USA), have PAH contamination from both legacy and modern sources. Diffusive flux calculations indicate that the Willamette River acts predominantly as a sink for low molecular weight PAHs from both the sediment and the air. The sediment was also predominantly a source of 4- and 5-ring PAHs to the river, and the river was a source of these same PAHs to the air, indicating that legacy pollution may be contributing to PAH exposure for residents of the Portland urban center. At the remediated McCormick and Baxter Superfund Site, flux measurements highlight locations within the sand and rock sediment cap where contaminant breakthrough is occurring. Environ Toxicol Chem 2017;9999:1-9. © 2017 SETAC.

  1. HANFORD SITE ENVIRONMENTAL DATA FOR CALENDAR YEAR 1989 - GROUND WATER

    SciTech Connect

    Bryce, R. W.; Gorst, W. R.

    1990-12-01

    In a continuing effort for the U.S. Department of Energy, Pacific Northwest Laboratory (PNL) is conducting ground-water monitoring at the Hanford Site, near Richland, Washington. This document contains the data listing of monitoring results obtained by PNL and Westinghouse Hanford Company during the period January through December 1989. Samples taken during 1989 were analyzed and reported by United States Testing Company, Inc., Richland, Washington. The data listing contains all chemical results (above contractual reporting limits) and radiochemical results (for which the result is larger than two times the total error).

  2. Perspective: On the active site model in computational catalyst screening

    NASA Astrophysics Data System (ADS)

    Reuter, Karsten; Plaisance, Craig P.; Oberhofer, Harald; Andersen, Mie

    2017-01-01

    First-principles screening approaches exploiting energy trends in surface adsorption represent an unparalleled success story in recent computational catalysis research. Here we argue that our still limited understanding of the structure of active sites is one of the major bottlenecks towards an ever extended and reliable use of such computational screening for catalyst discovery. For low-index transition metal surfaces, the prevalently chosen high-symmetry (terrace and step) sites offered by the nominal bulk-truncated crystal lattice might be justified. For more complex surfaces and composite catalyst materials, computational screening studies will need to actively embrace a considerable uncertainty with respect to what truly are the active sites. By systematically exploring the space of possible active site motifs, such studies might eventually contribute towards a targeted design of optimized sites in future catalysts.

  3. Diffusional correlations among multiple active sites in a single enzyme.

    PubMed

    Echeverria, Carlos; Kapral, Raymond

    2014-04-07

    Simulations of the enzymatic dynamics of a model enzyme containing multiple substrate binding sites indicate the existence of diffusional correlations in the chemical reactivity of the active sites. A coarse-grain, particle-based, mesoscopic description of the system, comprising the enzyme, the substrate, the product and solvent, is constructed to study these effects. The reactive and non-reactive dynamics is followed using a hybrid scheme that combines molecular dynamics for the enzyme, substrate and product molecules with multiparticle collision dynamics for the solvent. It is found that the reactivity of an individual active site in the multiple-active-site enzyme is reduced substantially, and this effect is analyzed and attributed to diffusive competition for the substrate among the different active sites in the enzyme.

  4. Robotics at Savannah River site: activity report

    SciTech Connect

    Byrd, J.S.

    1984-09-01

    The objectives of the Robotics Technology Group at the Savannah River Laboratory are to employ modern industrial robots and to develop unique automation and robotic systems to enhance process operations at the Savannah River site (SRP and SRL). The incentives are to improve safety, reduce personnel radiation exposure, improve product quality and productivity, and to reduce operating costs. During the past year robotic systems have been installed to fill chemical dilution vials in a SRP laboratory at 772-F and remove radioactive waste materials in the SRL Californium Production Facility at 773-A. A robotic system to lubricate an extrusion press has been developed and demonstrated in the SRL robotics laboratory and is scheduled for installation at the 321-M fuel fabrication area. A mobile robot was employed by SRP for a radiation monitoring task at a waste tank top in H-Area. Several other robots are installed in the SRL robotics laboratories and application development programs are underway. The status of these applications is presented in this report.

  5. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site near Grand Junction, Colorado

    SciTech Connect

    Not Available

    1994-06-01

    This Baseline Risk Assessment of Ground Water Contamination at the Uranium Mill Tailings Site Near Grand Junction, Colorado evaluates potential impacts to public health or the environment resulting from ground water contamination at the former uranium mill processing site. The tailings and other contaminated material at this site were placed in an off-site disposal cell by the US Department of Energy`s (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project. The remedial activities at the site were conducted from 1989 to 1993. Currently, the UMTRA Project is evaluating ground water contamination. This risk assessment is the first document specific to this site for the Ground Water Project. This risk assessment evaluates the most contaminated ground water that flows beneath the processing site toward the Colorado River. The monitor wells that have consistently shown the highest concentrations of most contaminants are used to assess risk. This risk assessment will be used in conjunction with additional activities and documents to determine what remedial action may be needed for contaminated ground water at the site. This risk assessment follows an approach outlined by the EPA. the first step is to evaluate ground water data collected from monitor wells at the site. Evaluation of these data showed that the contaminants of potential concern in the ground water are arsenic, cadmium, cobalt, fluoride, iron, manganese, molybdenum, nickel, sulfate, uranium, vanadium, zinc, and radium-226. The next step in the risk assessment is to estimate how much of these contaminants people would be exposed to if they drank from a well installed in the contaminated ground water at the former processing site.

  6. Wise Water Ways. Teaching Guide. Activity Book.

    ERIC Educational Resources Information Center

    Crites, Alice; And Others

    To increase student's awareness of the need to conserve water and ways they can become personally involved in developing water-saving habits, a water conservation education program was established. The program described contains a series of activities to be presented in the form of discussions, games, and puzzles. Each activity involves the…

  7. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site in Lakeview, Oregon

    SciTech Connect

    Not Available

    1994-10-01

    This Baseline Risk Assessment of Ground Water Contamination at the Uranium Mill Tailings Site in Lake view, Oregon evaluates potential impacts to public health or the environment resulting from ground water contamination at the former uranium mill processing site.

  8. Active sites of thioredoxin reductases: why selenoproteins?

    PubMed

    Gromer, Stephan; Johansson, Linda; Bauer, Holger; Arscott, L David; Rauch, Susanne; Ballou, David P; Williams, Charles H; Schirmer, R Heiner; Arnér, Elias S J

    2003-10-28

    Selenium, an essential trace element for mammals, is incorporated into a selected class of selenoproteins as selenocysteine. All known isoenzymes of mammalian thioredoxin (Trx) reductases (TrxRs) employ selenium in the C-terminal redox center -Gly-Cys-Sec-Gly-COOH for reduction of Trx and other substrates, whereas the corresponding sequence in Drosophila melanogaster TrxR is -Ser-Cys-Cys-Ser-COOH. Surprisingly, the catalytic competence of these orthologous enzymes is similar, whereas direct Sec-to-Cys substitution of mammalian TrxR, or other selenoenzymes, yields almost inactive enzyme. TrxRs are therefore ideal for studying the biology of selenocysteine by comparative enzymology. Here we show that the serine residues flanking the C-terminal Cys residues of Drosophila TrxRs are responsible for activating the cysteines to match the catalytic efficiency of a selenocysteine-cysteine pair as in mammalian TrxR, obviating the need for selenium. This finding suggests that the occurrence of selenoenzymes, which implies that the organism is selenium-dependent, is not necessarily associated with improved enzyme efficiency. Our data suggest that the selective advantage of selenoenzymes is a broader range of substrates and a broader range of microenvironmental conditions in which enzyme activity is possible.

  9. Water-quality data for 35 sites, September 1984, near the Y-12 Plant, the Oak Ridge Reservation, Tennessee

    USGS Publications Warehouse

    Pulliam, Pamela J.

    1985-01-01

    Water quality data were collected at 35 sites in the vicinity of the Y-12 Plant, Oak Ridge, Tennessee, on September 16 and 17, 1984. Concentrations of dissolved major and trace constituents were determined; field determinations of specific conductance, pH, temperature, alkalinity, and dissolved oxygen were made. Gross alpha and beta activity were determined for seven of the sites sampled. 

  10. Forward osmosis as an approach to manage oil sands tailings water and on-site basal depressurization water.

    PubMed

    Zhu, Shu; Li, Mingyu; Gamal El-Din, Mohamed

    2017-04-05

    As the volume of oil sands process-affected water (OSPW) stored in tailings ponds increases, it is urgent to seek for water management approaches to alleviate the environmental impact caused by large quantity of toxic water. Forward osmosis (FO) utilizes osmotic pressure difference between two solutions, thereby giving a potential to manage two wastewaters. In this study, FO was proposed to manage OSPW, using on-site waste basal depressurization water (BDW) as draw solution. To investigate its feasibility, both short and long-term OSPW desalination experiments were carried out. By applying this process, the volume of OSPW was decreased>40% and high rejections were achieved, especially, the major organic toxicity source - naphthenic acids (NAs). Although comparative low water flux (≤3L/m(2)h) was obtained, water flux caused by membrane fouling can be completely recovered using water physical cleaning. Moreover, calcium carbonate precipitation was observed on the OSPW-oriented membrane side. With respect to flux decline, the active layer facing the feed solution (FO mode) and active layer facing draw solution (PRO mode) did not demonstrate a significant difference on anti-fouling performance. The advantages provided by this approach include zero draw solution cost, less reversible membrane fouling and beneficial reuse/recycle of diluted BDW.

  11. WATER: Water Activities Teaching Environmental Responsibility: Teacher Resource, Environmental Science.

    ERIC Educational Resources Information Center

    Kramer, Ed, Ed.; And Others

    This activity book was developed as part of an effort to protect water quality of the Stillwater River, Ohio, through a Watershed Protection Project. It is designed to raise teachers' and students' awareness and trigger a sense of stewardship towards the preservation of water resources. The activities are generally appropriate for elementary age…

  12. Active Site Hydrophobicity and the Convergent Evolution of Paraoxonase Activity in Structurally Divergent Enzymes: The Case of Serum Paraoxonase 1

    PubMed Central

    2016-01-01

    Serum paraoxonase 1 (PON1) is a native lactonase capable of promiscuously hydrolyzing a broad range of substrates, including organophosphates, esters, and carbonates. Structurally, PON1 is a six-bladed β-propeller with a flexible loop (residues 70–81) covering the active site. This loop contains a functionally critical Tyr at position 71. We have performed detailed experimental and computational analyses of the role of selected Y71 variants in the active site stability and catalytic activity in order to probe the role of Y71 in PON1’s lactonase and organophosphatase activities. We demonstrate that the impact of Y71 substitutions on PON1’s lactonase activity is minimal, whereas the kcat for the paraoxonase activity is negatively perturbed by up to 100-fold, suggesting greater mutational robustness of the native activity. Additionally, while these substitutions modulate PON1’s active site shape, volume, and loop flexibility, their largest effect is in altering the solvent accessibility of the active site by expanding the active site volume, allowing additional water molecules to enter. This effect is markedly more pronounced in the organophosphatase activity than the lactonase activity. Finally, a detailed comparison of PON1 to other organophosphatases demonstrates that either a similar “gating loop” or a highly buried solvent-excluding active site is a common feature of these enzymes. We therefore posit that modulating the active site hydrophobicity is a key element in facilitating the evolution of organophosphatase activity. This provides a concrete feature that can be utilized in the rational design of next-generation organophosphate hydrolases that are capable of selecting a specific reaction from a pool of viable substrates. PMID:28026940

  13. Assessment of Deep Water Archaeological Sites with Autonomous Underwater Vehicles

    NASA Astrophysics Data System (ADS)

    Foley, B. P.; Ferrini, V. L.; Bingham, B. S.; Camilli, R.; Delaporta, K.; Kourkoumelis, D.

    2006-12-01

    Deep submergence vehicle technology has recently enabled significant advances in the rapid assessment of marine archaeological sites. Precisely navigated vehicles equipped with high resolution digital cameras and high-frequency multibeam sonar systems can be used to assess not only the distribution of wreckage, but to quantify the size, distribution, and condition of individual artifacts contained within the wreck. This information is critical to deriving new knowledge of ancient civilizations based on shipwreck sites. The Woods Hole Oceanographic Institution in collaboration with the Hellenic Ministry of Culture and the Hellenic Centre for Marine Research is conducting an ongoing program to document ancient shipwrecks and refine underwater archaeological survey methods. The first project took place in 2005 near the Aegean island, Chios, when the team deployed an Autonomous Underwater Vehicle to investigate a 4th century BC wreck in 70 m water depth. Multiple low speed (20 cm/sec) digital imaging and acoustic mapping surveys were conducted at an altitude of 2.5 m yielded 200+% coverage of the wreck. Multibeam data provide centimeter resolution of the site's bathymetry, and a subset of 6000+ overlapping digital images were used to generate a continuous photomosaic of the entire wreck at sub-centimeter resolution. The full survey of the 20 m x 7 m wreck took approximately 18 hours. The second season in 2006 resulted in the survey of a historic period warship. The combination of digital imagery and sonar data reveal information about these wrecks that would otherwise be difficult to quantify. For instance, the orientation, location, number, and preservation state of amphora cargo elements observed in high-resolution imagery can be used to determine the vessel's origin and order of lading. Additionally, first-order archaeological questions can be answered: age of the wreck, cultural origin of the vessel, dimensions of the site, computation of three-dimensional cargo

  14. Community Update on Site Activities, July 19, 2013

    EPA Pesticide Factsheets

    In an effort to engage and inform community members interested in the New Bedford Harbor Superfund Site cleanup, EPA will be issuing periodic topic-based fact sheets that will provide background information and updates about ongoing activities.

  15. MX Siting Investigation. Water Rights Inventory, Nevada-Utah. Water Resources Program FY 80.

    DTIC Science & Technology

    1980-12-19

    AD-AI12 434 FUGRO NATIONAL INC LONG BEACH CA F/9 7/4 RX SITING INVESTIGATION. WATER RIGHTS INVENTOY, NEVADA-UTAHI. W-.ETC(UI DC S0 F0470"DS-C-00OG...INVESTIGATION WATER RIGHTS INVENTORY NEVADA-UTAH WATER RESOURCES PROGRAM FY 80 o.7 Prepared for: U.S. Department of the Air Force Ballistic Missile Office (BMO...entered In Block 20, if different from Report) IS. SUPPLEMENTARY NOTES 19. KEY WORDS (Continue on reverse side if necessary and identify by block number

  16. Improving Water Management: Applying ModelBuilder to site water impoundments using AEM survey data

    SciTech Connect

    Sams, J.I.; Lipinski, B.A.; Harbert, W.P.; Ackman, T.E.

    2007-01-01

    ArcGIS ModelBuilder was used to create a GIS-based decision support model that incorporated digital elevation data and electromagnetic geophysical results gathered by helicopter to screen potential sites for water disposal impoundments produced from coal bed natural gas.

  17. Spatial and temporal distributions of toxicity in receiving waters around an oil effluent discharge site

    SciTech Connect

    Krause, P.R.

    1994-12-31

    Distributions of pollutants from a point source discharge within the water column may vary in both time and space. In this study, they examined the spatial and temporal patterns of toxicity from an oil production effluent (produced water) discharge plume using sea urchin fertilization and development bioassays. Specifically, they tested the sensitivity and response patterns of sea urchin gametes and early life stages exposed to receiving waters sampled along a 1 km transact near an active produced water outfall. Fertilization success and development of larvae to the pluteus stage varied significantly with proximity to the outfall, with reduced fertilization and larval development found closer to the outfall. Although estimated toxicity in receiving water samples, based on fertilization success, was variable in time -- perhaps responding to variation in the quantity or make-up of produced water discharges -- the general spatial pattern of toxicity along the sampling transact remained relatively constant. Strong evidence that field toxicity was directly attributable to produced water effluents was provided by sampling the receiving waters while the produced water discharge was not operating. At such a time, no toxicity was found at any of the field sites. Receiving water toxicity data, along with toxicity data from the effluent itself, were used to prepare a ``map`` of effective effluent concentrations along the sampling transect.

  18. Identification of inhibitors against the potential ligandable sites in the active cholera toxin.

    PubMed

    Gangopadhyay, Aditi; Datta, Abhijit

    2015-04-01

    The active cholera toxin responsible for the massive loss of water and ions in cholera patients via its ADP ribosylation activity is a heterodimer of the A1 subunit of the bacterial holotoxin and the human cytosolic ARF6 (ADP Ribosylation Factor 6). The active toxin is a potential target for the design of inhibitors against cholera. In this study we identified the potential ligandable sites of the active cholera toxin which can serve as binding sites for drug-like molecules. By employing an energy-based approach to identify ligand binding sites, and comparison with the results of computational solvent mapping, we identified two potential ligandable sites in the active toxin which can be targeted during structure-based drug design against cholera. Based on the probe affinities of the identified ligandable regions, docking-based virtual screening was employed to identify probable inhibitors against these sites. Several indole-based alkaloids and phosphates showed strong interactions to the important residues of the ligandable region at the A1 active site. On the other hand, 26 top scoring hits were identified against the ligandable region at the A1 ARF6 interface which showed strong hydrogen bonding interactions, including guanidines, phosphates, Leucopterin and Aristolochic acid VIa. This study has important implications in the application of hybrid structure-based and ligand-based methods against the identified ligandable sites using the identified inhibitors as reference ligands, for drug design against the active cholera toxin.

  19. Applications of permeable barrier technology to ground water contamination at the Shiprock, NM, UMTRA site

    SciTech Connect

    Thomson, B.M.; Henry, E.J.; Thombre, M.S.

    1996-12-31

    The Shiprock uranium mill tailings pile in far northwestern New Mexico consists of approximately 1.5 million tons of uranium mill tailings from an acid leach mill which operated from 1954 to 1968. Located on land owned by the Navajo Nation, it was one of the first tailings piles stabilized under the Uranium Mill Tailings Remedial Action (UMTRA) project. Stabilization activities were completed in 1986 and consisted principally of consolidating the tailings, contouring the pile to achieve good drainage, and covering the pile with a multi-layer cap to control infiltration of water, radon emanation, and surface erosion. No ground water protection or remediation measures were implemented other than limiting infiltration of water through the pile, although a significant ground water contamination plume exists in the flood plain adjacent to the San Juan River. The major contaminants at the Shiprock site include high concentrations of sulfate, nitrate, arsenic, and uranium. One alternative for remediation may be the use of a permeable barrier in the flood plain aquifer. As proposed for the Shiprock site, the permeable barrier would be a trench constructed in the flood plain that would be backfilled with a media that is permeable to ground water, but would intercept or degrade the pollutants. Work to date has focused on use of a mixed microbial population of sulfate and nitrate reducing organisms. These organisms would produce strongly reducing conditions which would result in precipitation of the metal contaminants (i.e., Se(IV) and U(IV)) in the barrier. One of the first considerations in designing a permeable barrier is developing an understanding of ground water flow at the site. Accordingly, a steady state numerical model of the ground water flow at the site was developed using the MODFLOW code.

  20. Active-site zinc ligands and activated H2O of zinc enzymes.

    PubMed Central

    Vallee, B L; Auld, D S

    1990-01-01

    The x-ray crystallographic structures of 12 zinc enzymes have been chosen as standards of reference to identify the ligands to the catalytic and structural zinc atoms of other members of their respective enzyme families. Universally, H2O is a ligand and critical component of the catalytically active zinc sites. In addition, three protein side chains bind to the catalytic zinc atom, whereas four protein ligands bind to the structural zinc atom. The geometry and coordination number of zinc can vary greatly to accommodate particular ligands. Zinc forms complexes with nitrogen and oxygen just as readily as with sulfur, and this is reflected in catalytic zinc sites having a binding frequency of His much greater than Glu greater than Asp = Cys, three of which bind to the metal atom. The systematic spacing between the ligands is striking. For all catalytic zinc sites except the coenzyme-dependent alcohol dehydrogenase, the first two ligands are separated by a "short-spacer" consisting of 1 to 3 amino acids. These ligands are separated from the third ligand by a "long spacer" of approximately 20 to approximately 120 amino acids. The spacer enables formation of a primary bidentate zinc complex, whereas the long spacer contributes flexibility to the coordination sphere, which can poise the zinc for catalysis as well as bring other catalytic and substrate binding groups into apposition with the active site. The H2O is activated by ionization, polarization, or poised for displacement. Collectively, the data imply that the preferred mechanistic pathway for activating the water--e.g., zinc hydroxide or Lewis acid catalysis--will be determined by the identity of the other three ligands and their spacing. Images PMID:2104979

  1. Engineering Water Analysis Laboratory Activity.

    ERIC Educational Resources Information Center

    Schlenker, Richard M.

    The purposes of water treatment in a marine steam power plant are to prevent damage to boilers, steam-operated equipment, and steam and condensate lives, and to keep all equipment operating at the highest level of efficiency. This laboratory exercise is designed to provide students with experiences in making accurate boiler water tests and to…

  2. Analysis of water levels in the Frenchman Flat area, Nevada Test Site

    USGS Publications Warehouse

    Bright, D.J.; Watkins, S.A.; Lisle, B.A.

    2001-01-01

    Analysis of water levels in 21 wells in the Frenchman Flat area, Nevada Test Site, provides information on the accuracy of hydraulic-head calculations, temporal water-level trends, and potential causes of water-level fluctuations. Accurate hydraulic heads are particularly important in Frenchman Flat where the hydraulic gradients are relatively flat (less than 1 foot per mile) in the alluvial aquifer. Temporal water-level trends with magnitudes near or exceeding the regional hydraulic gradient may have a substantial effect on ground-water flow directions. Water-level measurements can be adjusted for the effects of barometric pressure, formation water density (from water-temperature measurements), borehole deviation, and land-surface altitude in selected wells in the Frenchman Flat area. Water levels in one well were adjusted for the effect of density; this adjustment was significantly greater (about 17 feet) than the adjustment of water levels for barometric pressure, borehole deviation, or land-surface altitude (less than about 4 feet). Water-level measurements from five wells exhibited trends that were statistically and hydrologically significant. Statistically significant water-level trends were observed for three wells completed in the alluvial aquifer (WW-5a, UE-5n, and PW-3), for one well completed in the carbonate aquifer (SM-23), and for one well completed in the quartzite confining unit (Army-6a). Potential causes of water-level fluctuations in wells in the Frenchman Flat area include changes in atmospheric conditions (precipitation and barometric pressure), Earth tides, seismic activity, past underground nuclear testing, and nearby pumping. Periodic water-level measurements in some wells completed in the carbonate aquifer indicate cyclic-type water-level fluctuations that generally correlate with longer term changes (more than 5 years) in precipitation. Ground-water pumping fromthe alluvial aquifer at well WW-5c and pumping and discharge from well RNM-2s

  3. An Integrated Approach to Determine Ground-water Surface Water Flux in a Contaminated Aquifer-Wetland System at the Norman Landfill Research Site, Oklahoma

    NASA Astrophysics Data System (ADS)

    Mendoza-Sanchez, I.; Phanikumar, M.; McGuire, J. T.; Masoner, J.; Cozzarelli, I.

    2008-12-01

    An area of research in progress at the Norman Landfill Research Site in Oklahoma involves a small wetland that overlies a landfill leachate plume. The wetland-aquifer system actively exchanges contaminants and nutrients. These chemicals move from the wetland to the aquifer and vice versa depending on the ground- water/surface-water exchange rate and flow direction. The ground-water/surface-water flow has to be quantified in order to better understand the influence of contaminants and nutrients on the transport and fate of landfill leachates. Different types of data have been collected at the site over a period of ten years including isotopic composition of water samples, ion concentrations, water levels, evaporative and seepage fluxes and meteorological variables. After identifying key processes influencing the water exchange between the wetland and ground-water based on time series analysis, we used process-based modeling to determine the ground-water/surface-water flow rates in the system using an integrated water balance model. Other methods used to constrain processes and parameters in the study include: (a) ground-water inflow calculation with stable environmental isotopes mass balance (b) ground-water input to the wetland with solute mass balance, and (c) Darcy's flow calculation of ground-water/surface-water exchange based on measurements from a network of piezometers. Preliminary results show that it is possible to differentiate between regional and local ground-water influences, as well as precipitation and evapotranspiration contributions in the exchange behavior.

  4. Fate and groundwater impacts of produced water releases at OSPER "B" site, Osage County, Oklahoma

    USGS Publications Warehouse

    Kharaka, Y.K.; Kakouros, E.; Thordsen, J.J.; Ambats, G.; Abbott, M.M.

    2007-01-01

    For the last 5 a, the authors have been investigating the transport, fate, natural attenuation and ecosystem impacts of inorganic and organic compounds in releases of produced water and associated hydrocarbons at the Osage-Skiatook Petroleum Environmental Research (OSPER) "A" and "B" sites, located in NE Oklahoma. Approximately 1.0 ha of land at OSPER "B", located within the active Branstetter lease, is visibly affected by salt scarring, tree kills, soil salinization, and brine and petroleum contamination. Site "B" includes an active production tank battery and adjacent large brine pit, two injection well sites, one with an adjacent small pit, and an abandoned brine pit and tank battery site. Oil production in this lease started in 1938, and currently there are 10 wells that produce 0.2-0.5 m3/d (1-3 bbl/d) oil, and 8-16 m3/d (50-100 bbl/d) brine. Geochemical data from nearby oil wells show that the produced water source is a Na-Ca-Cl brine (???150,000 mg/L TDS), with high Mg, but low SO4 and dissolved organic concentrations. Groundwater impacts are being investigated by detailed chemical analyses of water from repeated sampling of 41 boreholes, 1-71 m deep. The most important results at OSPER "B" are: (1) significant amounts of produced water from the two active brine pits percolate into the surficial rocks and flow towards the adjacent Skiatook reservoir, but only minor amounts of liquid petroleum leave the brine pits; (2) produced-water brine and minor dissolved organics have penetrated the thick (3-7 m) shale and siltstone units resulting in the formation of three interconnected plumes of high-salinity water (5000-30,000 mg/L TDS) that extend towards the Skiatook reservoir from the two active and one abandoned brine pits; and (3) groundwater from the deep section of only one well, BR-01 located 330 m upslope and west of the site, appear not to be impacted by petroleum operations. ?? 2007.

  5. Stereospecific suppression of active site mutants by methylphosphonate substituted substrates reveals the stereochemical course of site-specific DNA recombination.

    PubMed

    Rowley, Paul A; Kachroo, Aashiq H; Ma, Chien-Hui; Maciaszek, Anna D; Guga, Piotr; Jayaram, Makkuni

    2015-07-13

    Tyrosine site-specific recombinases, which promote one class of biologically important phosphoryl transfer reactions in DNA, exemplify active site mechanisms for stabilizing the phosphate transition state. A highly conserved arginine duo (Arg-I; Arg-II) of the recombinase active site plays a crucial role in this function. Cre and Flp recombinase mutants lacking either arginine can be rescued by compensatory charge neutralization of the scissile phosphate via methylphosphonate (MeP) modification. The chemical chirality of MeP, in conjunction with mutant recombinases, reveals the stereochemical contributions of Arg-I and Arg-II. The SP preference of the native reaction is specified primarily by Arg-I. MeP reaction supported by Arg-II is nearly bias-free or RP-biased, depending on the Arg-I substituent. Positional conservation of the arginines does not translate into strict functional conservation. Charge reversal by glutamic acid substitution at Arg-I or Arg-II has opposite effects on Cre and Flp in MeP reactions. In Flp, the base immediately 5' to the scissile MeP strongly influences the choice between the catalytic tyrosine and water as the nucleophile for strand scission, thus between productive recombination and futile hydrolysis. The recombinase active site embodies the evolutionary optimization of interactions that not only favor the normal reaction but also proscribe antithetical side reactions.

  6. Isotopic composition of water from a mine drainage site in Creede County in south central Colorado

    NASA Astrophysics Data System (ADS)

    Michel, R. L.; Williams, M. W.; Krupicka, A.; Wireman, M.; Graves, J.

    2011-12-01

    Creede County in South Central Colorado was an active area of silver mining beginning in the early 1890s. To relieve flooding in some of the mines, the Nelson Tunnel was built in the late 1890s. This tunnel still exists and acid mine drainage from the tunnel eventually flows into the Willow Creek Watershed which eventually flows into the Upper Rio Grande. The water coming out of the tunnel is high in toxic metals and the area has become part of an EPA Superfund site in an effort to find a suitable method to remediate the metal problems. Among the approaches used in the program is the use of isotopes of water and carbon to identify sources and estimate ages of the water in the drainage. Samples were collected for analysis of isotopic ratios and tritium concentrations at a series of sites within the tunnel complex from 2008-2010. In 2009 samples were also collected for analysis of isotopes in groundwater and surface water. In 2010 sampling was expanded to include four precipitation and one snow sample. Tritium concentrations in precipitation and snowfall in 2010 ranged from 3-6 tritium units with the lowest concentration found in the snow sample. The 18O isotopic ratios in precipitation for this site ranged from an average of -8.9 o/oo in summer to about -19 o/oo in winter. The six groundwater samples collected in 2009 had an average 18O isotopic concentration of -15 o/oo and tritium concentrations ranging from 7.4-9.3 TU. These results suggest that the groundwater sampled is composed largely of a mixture of summer and winter precipitation with the latter source being dominant. The tritium concentrations in groundwater exceed recent precipitation concentrations, suggesting the presence of water from the bomb-tritium transient and an age of a decade or more for the groundwater. Eight sites in the tunnel were sampled I from 2008-2010, although not all sites were sampled every year. The sampling sites included waters seeping into the tunnel as well as the outlet water

  7. Identification of putative active site residues of ACAT enzymes.

    PubMed

    Das, Akash; Davis, Matthew A; Rudel, Lawrence L

    2008-08-01

    In this report, we sought to determine the putative active site residues of ACAT enzymes. For experimental purposes, a particular region of the C-terminal end of the ACAT protein was selected as the putative active site domain due to its high degree of sequence conservation from yeast to humans. Because ACAT enzymes have an intrinsic thioesterase activity, we hypothesized that by analogy with the thioesterase domain of fatty acid synthase, the active site of ACAT enzymes may comprise a catalytic triad of ser-his-asp (S-H-D) amino acid residues. Mutagenesis studies revealed that in ACAT1, S456, H460, and D400 were essential for activity. In ACAT2, H438 was required for enzymatic activity. However, mutation of D378 destabilized the enzyme. Surprisingly, we were unable to identify any S mutations of ACAT2 that abolished catalytic activity. Moreover, ACAT2 was insensitive to serine-modifying reagents, whereas ACAT1 was not. Further studies indicated that tyrosine residues may be important for ACAT activity. Mutational analysis showed that the tyrosine residue of the highly conserved FYXDWWN motif was important for ACAT activity. Furthermore, Y518 was necessary for ACAT1 activity, whereas the analogous residue in ACAT2, Y496, was not. The available data suggest that the amino acid requirement for ACAT activity may be different for the two ACAT isozymes.

  8. An Integrated Approach to Quantify Groundwater - Surface Water Interactions: the Norman Research Site, Oklahoma

    NASA Astrophysics Data System (ADS)

    Mendoza-Sanchez, I.; Phanikumar, M. S.; Masoner, J.; Cozzarelli, I.; McGuire, J. T.

    2009-12-01

    An intensive investigation of hydrogeologic and biogeochemical processes controlling contaminant migration and attenuation is in progress at the Norman Landfill Research Site in Oklahoma. The site involves a wetland that overlies a landfill leachate plume. The wetland-aquifer system actively exchanges contaminants and nutrients. These chemicals move from the wetland to the aquifer and vice versa depending on the groundwater-surface water (GW-SW) exchange rate and flow direction. The GW-SW flux has to be quantified to better understand the fate and transport of contaminants and nutrients. Different types of data have been collected at the site over a period of ten years including meteorological data, isotopic composition of water samples, water levels, pan evaporation rates, and seepage fluxes. This paper reports the development and application of a process-based water balance model based on long-term climate, soil, vegetation and hydrological dynamics of the system to determine the GW-SW flow rates. Our integrated approach involved model evaluation by means of the following independent measurements: (a) groundwater inflow calculation using stable isotopes of oxygen and hydrogen ( ) (b) seepage flux measurements in the wetland hyporheic sediment and c) pan evaporation measurements on land and in the wetland. The approach was found to be useful for identifying the dominant hydrological processes at the site, including recharge and subsurface flows. Recharge results from the model compared well with estimates obtained using isotope methods from previous studies and allowed us to identify specific annual signatures of this important process during the period of study. Results indicate that subsurface flow components in the system are seasonal and readily respond to rainfall events. The wetland water balance is dominated by local groundwater inputs and regional groundwater flow contributes little to the overall water balance.

  9. Methanopyrus kandleri topoisomerase V contains three distinct AP lyase active sites in addition to the topoisomerase active site

    PubMed Central

    Rajan, Rakhi; Osterman, Amy; Mondragón, Alfonso

    2016-01-01

    Topoisomerase V (Topo-V) is the only topoisomerase with both topoisomerase and DNA repair activities. The topoisomerase activity is conferred by a small alpha-helical domain, whereas the AP lyase activity is found in a region formed by 12 tandem helix-hairpin-helix ((HhH)2) domains. Although it was known that Topo-V has multiple repair sites, only one had been mapped. Here, we show that Topo-V has three AP lyase sites. The atomic structure and Small Angle X-ray Scattering studies of a 97 kDa fragment spanning the topoisomerase and 10 (HhH)2 domains reveal that the (HhH)2 domains extend away from the topoisomerase domain. A combination of biochemical and structural observations allow the mapping of the second repair site to the junction of the 9th and 10th (HhH)2 domains. The second site is structurally similar to the first one and to the sites found in other AP lyases. The 3rd AP lyase site is located in the 12th (HhH)2 domain. The results show that Topo-V is an unusual protein: it is the only known protein with more than one (HhH)2 domain, the only known topoisomerase with dual activities and is also unique by having three AP lyase repair sites in the same polypeptide. PMID:26908655

  10. Methanopyrus kandleri topoisomerase V contains three distinct AP lyase active sites in addition to the topoisomerase active site.

    PubMed

    Rajan, Rakhi; Osterman, Amy; Mondragón, Alfonso

    2016-04-20

    Topoisomerase V (Topo-V) is the only topoisomerase with both topoisomerase and DNA repair activities. The topoisomerase activity is conferred by a small alpha-helical domain, whereas the AP lyase activity is found in a region formed by 12 tandem helix-hairpin-helix ((HhH)2) domains. Although it was known that Topo-V has multiple repair sites, only one had been mapped. Here, we show that Topo-V has three AP lyase sites. The atomic structure and Small Angle X-ray Scattering studies of a 97 kDa fragment spanning the topoisomerase and 10 (HhH)2 domains reveal that the (HhH)2 domains extend away from the topoisomerase domain. A combination of biochemical and structural observations allow the mapping of the second repair site to the junction of the 9th and 10th (HhH)2 domains. The second site is structurally similar to the first one and to the sites found in other AP lyases. The 3rd AP lyase site is located in the 12th (HhH)2 domain. The results show that Topo-V is an unusual protein: it is the only known protein with more than one (HhH)2 domain, the only known topoisomerase with dual activities and is also unique by having three AP lyase repair sites in the same polypeptide.

  11. Cryptosporidium spp. in drinking water. Samples from rural sites in Switzerland.

    PubMed

    Füchslin, Hans Peter; Kötzsch, Stefan; Egli, Thomas

    2012-10-04

    In most rural areas and small communities in Switzerland the drinking water is supplied to the consumers after a minimum or even no treatment at all. However, it is just in these areas where drinking water from sources of agricultural activities can be contaminated by liquid manure and faeces of pasturing animals. The Swiss drinking water regulations are limited to the monitoring of E. coli, Enterococcus spp. and total plate counts only. Hence, resistant pathogens, as for example Cryptosporidium spp., remain unnoticed. During a drinking water survey, which lasted from June 2003 to December 2004, water samples were collected from 3 selected rural sites in Switzerland. The drinking water was investigated for Cryptosporidium spp., E. coli, Enterococcus spp., Clostridium perfringens and other parameters. In all samples oocysts of Cryptosporidium spp. were detected at elevated concentrations of up to 0.18 oocysts/l. Between 28% and 75% of the oocysts were found to be vital by the excystation method. Sampled oocysts collected from the three sites were subjected to genotyping and in one case the isolate was found to belong to the genotype of C. parvum. No evidence for increased incidents of diarrhoea in the past years was noted by local authorities.

  12. Martian Magmatic-Driven Hydrothermal Sites: Potential Sources of Energy, Water, and Life

    NASA Technical Reports Server (NTRS)

    Anderson, R. C.; Dohm, J. M.; Baker, V. R.; Ferris, J. C.; Hare, T. M.; Tanaka, K. L.; Klemaszewski, J. E.; Skinner, J. A.; Scott, D. H.

    2000-01-01

    Magmatic-driven processes and impact events dominate the geologic record of Mars. Such recorded geologic activity coupled with significant evidence of past and present-day water/ice, above and below the martian surface, indicate that hydrothermal environments certainly existed in the past and may exist today. The identification of such environments, especially long-lived magmatic-driven hydrothermal environments, provides NASA with significant target sites for future sample return missions, since they (1) could favor the development and sustenance of life, (2) may comprise a large variety of exotic mineral assemblages, and (3) could potentially contain water/ice reservoirs for future Mars-related human activities. If life developed on Mars, the fossil record would presumably be at its greatest concentration and diversity in environments where long-term energy sources and water coexisted such as at sites where long-lived, magmatic-driven hydrothermal activity occurred. These assertions are supported by terrestrial analogs. Small, single-celled creatures (prokaryotes) are vitally important in the evolution of the Earth; these prokaryotes are environmentally tough and tolerant of environmental extremes of pH, temperature, salinity, and anoxic conditions found around hydrothermal vents. In addition, there is a great ability for bacteria to survive long periods of geologic time in extreme conditions, including high temperature hydrogen sulfide and sulfur erupted from Mount St. Helens volcano. Our team of investigators is conducting a geological investigation using multiple mission-derived datasets (e.g., existing geologic map data, MOC imagery, MOLA, TES image data, geophysical data, etc.) to identify prime target sites of hydrothermal activity for future hydrological, mineralogical, and biological investigations. The identification of these sites will enhance the probability of success for future missions to Mars.

  13. Martian Magmatic-Driven Hydrothermal Sites: Potential Sources of Energy, Water, and Life

    NASA Astrophysics Data System (ADS)

    Anderson, R. C.; Dohm, J. M.; Baker, V. R.; Ferris, J. C.; Hare, T. M.; Tanaka, K. L.; Klemaszewski, J. E.; Skinner, J. A.; Scott, D. H.

    2000-07-01

    Magmatic-driven processes and impact events dominate the geologic record of Mars. Such recorded geologic activity coupled with significant evidence of past and present-day water/ice, above and below the martian surface, indicate that hydrothermal environments certainly existed in the past and may exist today. The identification of such environments, especially long-lived magmatic-driven hydrothermal environments, provides NASA with significant target sites for future sample return missions, since they (1) could favor the development and sustenance of life, (2) may comprise a large variety of exotic mineral assemblages, and (3) could potentially contain water/ice reservoirs for future Mars-related human activities. If life developed on Mars, the fossil record would presumably be at its greatest concentration and diversity in environments where long-term energy sources and water coexisted such as at sites where long-lived, magmatic-driven hydrothermal activity occurred. These assertions are supported by terrestrial analogs. Small, single-celled creatures (prokaryotes) are vitally important in the evolution of the Earth; these prokaryotes are environmentally tough and tolerant of environmental extremes of pH, temperature, salinity, and anoxic conditions found around hydrothermal vents. In addition, there is a great ability for bacteria to survive long periods of geologic time in extreme conditions, including high temperature hydrogen sulfide and sulfur erupted from Mount St. Helens volcano. Our team of investigators is conducting a geological investigation using multiple mission-derived datasets (e.g., existing geologic map data, MOC imagery, MOLA, TES image data, geophysical data, etc.) to identify prime target sites of hydrothermal activity for future hydrological, mineralogical, and biological investigations. The identification of these sites will enhance the probability of success for future missions to Mars.

  14. Monocopper active site for partial methane oxidation in Cu-exchanged 8MR zeolites

    SciTech Connect

    Kulkarni, Ambarish R.; Zhao, Zhi -Jian; Siahrostami, Samira; Nørskov, Jens K.; Studt, Felix

    2016-08-17

    Direct conversion of methane to methanol using oxygen is experiencing renewed interest owing to the availability of new natural gas resources. Copper-exchanged zeolites such as mordenite and ZSM-5 have shown encouraging results, and di- and tri-copper species have been suggested as active sites. Recently, small eight-membered ring (8MR) zeolites including SSZ-13, -16, and -39 have been shown to be active for methane oxidation, but the active sites and reaction mechanisms in these 8MR zeolites are not known. In this work, we use density functional theory (DFT) calculations to systematically evaluate monocopper species as active sites for the partial methane oxidation reaction in Cu-exchanged SSZ-13. On the basis of kinetic and thermodynamic arguments, we suggest that [CuIIOH]+ species in the 8MR are responsible for the experimentally observed activity. Furthermore, our results successfully explain the available spectroscopic data and experimental observations including (i) the necessity of water for methanol extraction and (ii) the effect of Si/Al ratio on the catalyst activity. Monocopper species have not yet been suggested as an active site for the partial methane oxidation reaction, and our results suggest that [CuIIOH]+ active site may provide complementary routes for methane activation in zeolites in addition to the known [Cu–O–Cu]2+ and Cu3O3 motifs.

  15. Monocopper active site for partial methane oxidation in Cu-exchanged 8MR zeolites

    DOE PAGES

    Kulkarni, Ambarish R.; Zhao, Zhi -Jian; Siahrostami, Samira; ...

    2016-08-17

    Direct conversion of methane to methanol using oxygen is experiencing renewed interest owing to the availability of new natural gas resources. Copper-exchanged zeolites such as mordenite and ZSM-5 have shown encouraging results, and di- and tri-copper species have been suggested as active sites. Recently, small eight-membered ring (8MR) zeolites including SSZ-13, -16, and -39 have been shown to be active for methane oxidation, but the active sites and reaction mechanisms in these 8MR zeolites are not known. In this work, we use density functional theory (DFT) calculations to systematically evaluate monocopper species as active sites for the partial methane oxidationmore » reaction in Cu-exchanged SSZ-13. On the basis of kinetic and thermodynamic arguments, we suggest that [CuIIOH]+ species in the 8MR are responsible for the experimentally observed activity. Furthermore, our results successfully explain the available spectroscopic data and experimental observations including (i) the necessity of water for methanol extraction and (ii) the effect of Si/Al ratio on the catalyst activity. Monocopper species have not yet been suggested as an active site for the partial methane oxidation reaction, and our results suggest that [CuIIOH]+ active site may provide complementary routes for methane activation in zeolites in addition to the known [Cu–O–Cu]2+ and Cu3O3 motifs.« less

  16. Water resources activities, Georgia District, 1986

    USGS Publications Warehouse

    Casteel, Carolyn A.; Ballew, Mary D.

    1987-01-01

    The U.S. Geological Survey, through its Water Resources Division , investigates the occurrence, quantity, quality, distribution, and movement of the surface and underground water that composes the Nation 's water resources. Much of the work is a cooperative effort in which planning and financial support are shared by state and local governments and other federal agencies. This report contains a brief description of the water-resources investigations in Georgia in which the Geological Survey participates, and a list of selected references. Water-resources data for the 1985 water year for Georgia consists of records of stage, discharge, and water quality of streams; stage and contents of lakes and reservoirs; and groundwater levels. These data include discharge records for 108 gaging stations; water quality for 43 continuous stations, 109 periodic stations, and miscellaneous sites; peak stage and discharge only for 130 crest-stage partial-record stations and 44 miscellaneous sites; and water levels of 27 observation wells. Nineteen Georgia District projects are summarized. (Lantz-PTT)

  17. Chloride in ground water and surface water in the vicinity of selected surface-water sampling sites of the beneficial use monitoring program of Oklahoma, 2003

    USGS Publications Warehouse

    Mashburn, Shana L.; Sughru, Michael P.

    2004-01-01

    The Oklahoma Water Resources Board Beneficial Use Monitoring Program reported exceedances of beneficial-use standards for chloride at 11 surface-water sampling sites from January to October 2002. The U.S. Geological Survey, in cooperation with the Oklahoma Department of Environmental Quality, conducted a study to determine the chloride concentrations in ground water in the vicinity of Beneficial Use Monitoring Program surface-water sampling sites not meeting beneficial use standards for chloride and compare chloride concentrations in ground water and surface water. The chloride-impaired Beneficial Use Monitoring Program surface-water sampling sites are located in the western and southern regions of Oklahoma. The ground-water sampling sites were placed in proximity to the 11 surface-water sampling sites designated impaired by chloride by the Oklahoma Water Resources Board. Two surface-water sampling sites were located on the Beaver River (headwaters of the North Canadian River), three sites on the Cimarron River, one site on Sandy Creek, one site on North Fork Red River, and four sites on the Red River. Six ground-water samples were collected, when possible, from two test holes located upstream from each of the 11 Beneficial Use Monitoring Program surface-water sampling sites. One test hole was placed on the left bank and right bank, when possible, of each Beneficial Use Monitoring Program surfacewater sampling site. All test holes were located on alluvial deposits adjacent to the Beneficial Use Monitoring Program surface-water sampling sites within 0.5 mile of the stream. Top, middle, and bottom ground-water samples were collected from the alluvium at each test hole, when possible. Water properties of specific conductance, pH, water temperature, and dissolved oxygen were recorded in the field before sampling for chloride. The ground-water median chloride concentrations at 8 of the 11 Beneficial Use Monitoring Program sites were less than the surface-water median

  18. Navy Water Conservation Guide for Shore Activities.

    DTIC Science & Technology

    1996-07-01

    water overuse, abuse, and apa - tation of the principles of water con- thy. DOE estimates that water use servation at your Navy facility will in the...Sacramento, CA: 1994. Camacho, Norma , et. al. Water Conservation Technology Guide. NEESA-1 - 040. Naval Energy and Environmental Support Activity...Conservation Technology Document, Naval Civil Engineering Laboratory, page 7-8. Port Hueneme, CA: 1985. Figure 4-7: Camacho, Norma , et. al. NEESA 1-040

  19. Effects of produced waters at oilfield production sites on the Osage Indian Reservation, northeastern Oklahoma

    USGS Publications Warehouse

    Otton, James K.; Asher-Bolinder, Sigrid; Owen, Douglass E.; Hall, Laurel

    1997-01-01

    The authors conducted limited site surveys in the Wildhorse and Burbank oilfields on the Osage Indian Reservation, northeastern Oklahoma. The purpose was to document salt scarring, erosion, and soil and water salinization, to survey for radioactivity in oilfield equipment, and to determine if trace elements and naturally occurring radioactive materials (NORM) were present in soils affected by oilfield solid waste and produced waters. These surveys were also designed to see if field gamma spectrometry and field soil conductivity measurements were useful in screening for NORM contamination and soil salinity at these sites. Visits to oilfield production sites in the Wildhorse field in June of 1995 and 1996 confirmed the presence of substantial salt scarring, soil salinization, and slight to locally severe erosion. Levels of radioactivity on some oil field equipment, soils, and road surfaces exceed proposed state standards. Radium activities in soils affected by tank sludge and produced waters also locally exceed proposed state standards. Laboratory analyses of samples from two sites show moderate levels of copper, lead, and zinc in brine-affected soils and pipe scale. Several sites showed detectable levels of bromine and iodine, suggesting that these trace elements may be present in sufficient quantity to inhibit plant growth. Surface waters in streams at two sampled sites exceed total dissolved solid limits for drinking waters. At one site in the Wildhorse field, an EM survey showed that saline soils in the upper 6m extend from a surface salt scar downvalley about 150 m. (Photo [95k]: Dead oak trees and partly revegetated salt scar at Site OS95-2 in the Wildhorse field, Osage County, Oklahoma.) In the Burbank field, limited salt scarring and slight erosion occurs in soils at some sites and low to moderate levels of radioactivity were observed in oil field equipment at some sites. The levels of radioactivity and radium observed in some soils and equipment at these

  20. Baseline risk assessment of ground water contamination at the uranium mill tailings sites near Rifle, Colorado. Revision 1

    SciTech Connect

    1995-08-01

    The US Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project consists of the Surface Project (Phase 1) and the Ground Water Project (Phase 2). Under the UMTRA Surface Project, tailings, radioactive contaminated soil, equipment, and materials associated with the former uranium ore processing sites are placed into disposal cells. The cells are designed to reduce radon and other radiation emissions and to prevent further ground water contamination. The Ground Water Project evaluates the nature and extent of ground water contamination resulting from the uranium ore processing activities. Two UMTRA Project sites are near Rifle, Colorado: the Old Rifle site and the New Rifle site. Surface cleanup at the two sites is under way and is scheduled for completion in 1996. The Ground Water Project is in its beginning stages. A risk assessment identifies a source of contamination, how that contamination reaches people and the environment, the amount of contamination to which people or the environment may be exposed, and the health or environmental effects that could result from that exposure. This report is a site-specific document that will be used to evaluate current and future impacts to the public and the environment from exposure to contaminated ground water. This evaluation and further site characterization will be used to determine if action is needed to protect human health or the environment.

  1. Baseline risk assessment of ground water contamination at the uranium mill tailings site near Riverton, Wyoming. Revision 1

    SciTech Connect

    1995-09-01

    The Uranium Mill Tailings Remedial Action (UMTRA) Project consists of two phases: the Surface Project and the Ground Water Project. At the UMTRA Project site near Riverton, Wyoming, Surface Project cleanup occurred from 1988 to 1990. Tailings and radioactively contaminated soils and materials were taken from the Riverton site to a disposal cell in the Gas Hills area, about 60 road miles (100 kilometers) to the east. The surface cleanup reduces radon and other radiation emissions and minimizes further ground water contamination. The UMTRA Project`s second phase, the Ground Water Project, will evaluate the nature and extent of ground water contamination at the Riverton site that has resulted from the uranium ore processing activities. Such evaluations are used at each site to determine a strategy for complying with UMTRA ground water standards established by the US Environmental Protection Agency (EPA) and if human health risks could result from exposure to ground water contaminated by uranium ore processing. Exposure could hypothetically occur if drinking water were pumped from a well drilled in an area where ground water contamination might have occurred. Human health and environmental risks may also result if people, plants, or animals are exposed to surface water that has mixed with contaminated ground water.

  2. Promoter-proximal polyadenylation sites reduce transcription activity

    PubMed Central

    Andersen, Pia K.; Lykke-Andersen, Søren; Jensen, Torben Heick

    2012-01-01

    Gene expression relies on the functional communication between mRNA processing and transcription. We previously described the negative impact of a point-mutated splice donor (SD) site on transcription. Here we demonstrate that this mutation activates an upstream cryptic polyadenylation (CpA) site, which in turn causes reduced transcription. Functional depletion of U1 snRNP in the context of the wild-type SD triggers the same CpA event accompanied by decreased RNA levels. Thus, in accordance with recent findings, U1 snRNP can shield premature pA sites. The negative impact of unshielded pA sites on transcription requires promoter proximity, as demonstrated using artificial constructs and supported by a genome-wide data set. Importantly, transcription down-regulation can be recapitulated in a gene context devoid of splice sites by placing a functional bona fide pA site/transcription terminator within ∼500 base pairs of the promoter. In contrast, promoter-proximal positioning of a pA site-independent histone gene terminator supports high transcription levels. We propose that optimal communication between a pA site-dependent gene terminator and its promoter critically depends on gene length and that short RNA polymerase II-transcribed genes use specialized termination mechanisms to maintain high transcription levels. PMID:23028143

  3. Active chemisorption sites in functionalized ionic liquids for carbon capture.

    PubMed

    Cui, Guokai; Wang, Jianji; Zhang, Suojiang

    2016-07-25

    Development of novel technologies for the efficient and reversible capture of CO2 is highly desired. In the last decade, CO2 capture using ionic liquids has attracted intensive attention from both academia and industry, and has been recognized as a very promising technology. Recently, a new approach has been developed for highly efficient capture of CO2 by site-containing ionic liquids through chemical interaction. This perspective review focuses on the recent advances in the chemical absorption of CO2 using site-containing ionic liquids, such as amino-based ionic liquids, azolate ionic liquids, phenolate ionic liquids, dual-functionalized ionic liquids, pyridine-containing ionic liquids and so on. Other site-containing liquid absorbents such as amine-based solutions, switchable solvents, and functionalized ionic liquid-amine blends are also investigated. Strategies have been discussed for how to activate the existent reactive sites and develop novel reactive sites by physical and chemical methods to enhance CO2 absorption capacity and reduce absorption enthalpy. The carbon capture mechanisms of these site-containing liquid absorbents are also presented. Particular attention has been paid to the latest progress in CO2 capture in multiple-site interactions by amino-free anion-functionalized ionic liquids. In the last section, future directions and prospects for carbon capture by site-containing ionic liquids are outlined.

  4. Active Sites Environmental Monitoring Program: Mid-FY 1991 report

    SciTech Connect

    Ashwood, T.L.; Wickliff, D.S.; Morrissey, C.M.

    1991-10-01

    This report summarizes the activities of the Active Sites Environmental Monitoring Program (ASEMP) from October 1990 through March 1991. The ASEMP was established in 1989 by Solid Waste Operations and the Environmental Sciences Division to provide early detection and performance monitoring at active low-level radioactive waste (LLW) disposal sites in Solid Waste Storage Area (SWSA) 6 and transuranic (TRU) waste storage sites in SWSA 5 as required by chapters II and III of US Department of Energy Order 5820.2A. Monitoring results continue to demonstrate the no LLW is being leached from the storage vaults on the tumulus pads. Loading of vaults on Tumulus II began during this reporting period and 115 vaults had been loaded by the end of March 1991.

  5. Role of water activity in ethanol fermentations

    SciTech Connect

    Jones, R.P.; Greenfield, P.F.

    1986-01-01

    A separate role for water activity in the conversion of sugars to ethanol by two strains of yeast is identified. During fermentation of both single and mixed sugar substrates, the water activity was shown to remain constant during the logarithmic growth phase. This is despite the changes in concentration of substrates and production, the constancy reflecting the fact that the greater influence of ethanol on the solution activity is counterbalanced, in the early stages of the fermentation, by its low yield. The end of the log phase of growth coincides with the start of a period of gradually decreasing water activity. For the more ethanol-tolerant strain UQM66Y, growth was found to cease at a constant value of water activity while that for the less tolerant strain UQM70Y depended on both ethanol concentration and water activity. It is argued that water activity is a more appropriate variable than ethanol concentration for describing some of the nonspecific inhibitory effects apparent in ethanol fermentations. A straightforward method for the calculation of water activity during such fermentations based on the use of solution osmolarity is presented.

  6. Active Water Explosion Suppression System

    DTIC Science & Technology

    2002-06-01

    efficient in eliminating the heat of detonation , thereby eliminating the heat of combustion and the associated burning of explosive by-products in the...efficiency in eliminating the heat of detonation . In any case, the net effect of the water absorbing the detonation energy of the explosive is a major

  7. Active and regulatory sites of cytosolic 5'-nucleotidase.

    PubMed

    Pesi, Rossana; Allegrini, Simone; Careddu, Maria Giovanna; Filoni, Daniela Nicole; Camici, Marcella; Tozzi, Maria Grazia

    2010-12-01

    Cytosolic 5'-nucleotidase (cN-II), which acts preferentially on 6-hydroxypurine nucleotides, is essential for the survival of several cell types. cN-II catalyses both the hydrolysis of nucleotides and transfer of their phosphate moiety to a nucleoside acceptor through formation of a covalent phospho-intermediate. Both activities are regulated by a number of phosphorylated compounds, such as diadenosine tetraphosphate (Ap₄A), ADP, ATP, 2,3-bisphosphoglycerate (BPG) and phosphate. On the basis of a partial crystal structure of cN-II, we mutated two residues located in the active site, Y55 and T56. We ascertained that the ability to catalyse the transfer of phosphate depends on the presence of a bulky residue in the active site very close to the aspartate residue that forms the covalent phospho-intermediate. The molecular model indicates two possible sites at which adenylic compounds may interact. We mutated three residues that mediate interaction in the first activation site (R144, N154, I152) and three in the second (F127, M436 and H428), and found that Ap₄A and ADP interact with the same site, but the sites for ATP and BPG remain uncertain. The structural model indicates that cN-II is a homotetrameric protein that results from interaction through a specific interface B of two identical dimers that have arisen from interaction of two identical subunits through interface A. Point mutations in the two interfaces and gel-filtration experiments indicated that the dimer is the smallest active oligomerization state. Finally, gel-filtration and light-scattering experiments demonstrated that the native enzyme exists as a tetramer, and no further oligomerization is required for enzyme activation.

  8. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Sites near Rifle, Colorado. Revision 2

    SciTech Connect

    1996-02-01

    The U.S. Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project consists of the Surface Project (Phase I) and the Ground Water Project (Phase II). Under the UMTRA Surface Project, tailings, radioactive contaminated soil, equipment, and materials associated with the former uranium ore processing sites are placed into disposal cells. The cells are designed to reduce radon and other radiation emissions and to prevent further ground water contamination. The Ground Water Project evaluates the nature and extent of ground water contamination resulting from the uranium ore processing activities. Two UMTRA Project sites are near Rifle, Colorado: the Old Rifle site and the New Rifle site. Surface cleanup at the two sites is under way and is scheduled for completion in 1996. The Ground Water Project is in its beginning stages. A risk assessment identifies a source of contamination, how that contamination reaches people and the environment, the amount of contamination to which people or the environment may be exposed, and the health or environmental effects that could result from that exposure. This report is a site-specific document that will be used to evaluate current and future impacts to the public and the environment from exposure to contaminated ground water. This evaluation and further site characterization will be used to determine if action is needed to protect human health or the environment. Human health risk may result from exposure to ground water contaminated from uranium ore processing. Exposure could occur from drinking water obtained from a well placed in the areas of contamination. Furthermore, environmental risk may result from plant or animal exposure to surface water and sediment that have received contaminated ground water.

  9. BAX Activation is Initiated at a Novel Interaction Site

    PubMed Central

    Gavathiotis, Evripidis; Suzuki, Motoshi; Davis, Marguerite L.; Pitter, Kenneth; Bird, Gregory H.; Katz, Samuel G.; Tu, Ho-Chou; Kim, Hyungjin; Cheng, Emily H.-Y.; Tjandra, Nico; Walensky, Loren D.

    2008-01-01

    BAX is a pro-apoptotic protein of the BCL-2 family stationed in the cytosol until activated by a diversity of stress stimuli to induce cell death. Anti-apoptotic proteins such as BCL-2 counteract BAX-mediated cell death. Although an interaction site that confers survival functionality has been defined for anti-apoptotic proteins, an activation site has not been identified for BAX, rendering its explicit trigger mechanism unknown. We previously developed Stabilized Alpha-Helix of BCL-2 domains (SAHBs) that directly initiate BAX-mediated mitochondrial apoptosis. Here we demonstrate by NMR analysis that BIM SAHB binds BAX at an interaction site that is distinct from the canonical binding groove characterized for anti-apoptotic proteins. The specificity of the BIM SAHB-BAX interaction is highlighted by point mutagenesis that abrogates functional activity, confirming that BAX activation is initiated at this novel structural location. Thus, we have now defined a BAX interaction site for direct activation, establishing a new target for therapeutic modulation of apoptosis. PMID:18948948

  10. Conserved Hydration Sites in Pin1 Reveal a Distinctive Water Recognition Motif in Proteins.

    PubMed

    Barman, Arghya; Smitherman, Crystal; Souffrant, Michael; Gadda, Giovanni; Hamelberg, Donald

    2016-01-25

    Structurally conserved water molecules are important for biomolecular stability, flexibility, and function. X-ray crystallographic studies of Pin1 have resolved a number of water molecules around the enzyme, including two highly conserved water molecules within the protein. The functional role of these localized water molecules remains unknown and unexplored. Pin1 catalyzes cis/trans isomerizations of peptidyl prolyl bonds that are preceded by a phosphorylated serine or threonine residue. Pin1 is involved in many subcellular signaling processes and is a potential therapeutic target for the treatment of several life threatening diseases. Here, we investigate the significance of these structurally conserved water molecules in the catalytic domain of Pin1 using molecular dynamics (MD) simulations, free energy calculations, analysis of X-ray crystal structures, and circular dichroism (CD) experiments. MD simulations and free energy calculations suggest the tighter binding water molecule plays a crucial role in maintaining the integrity and stability of a critical hydrogen-bonding network in the active site. The second water molecule is exchangeable with bulk solvent and is found in a distinctive helix-turn-coil motif. Structural bioinformatics analysis of nonredundant X-ray crystallographic protein structures in the Protein Data Bank (PDB) suggest this motif is present in several other proteins and can act as a water site, akin to the calcium EF hand. CD experiments suggest the isolated motif is in a distorted PII conformation and requires the protein environment to fully form the α-helix-turn-coil motif. This study provides valuable insights into the role of hydration in the structural integrity of Pin1 that can be exploited in protein engineering and drug design.

  11. Ground-water quality beneath solid-waste disposal sites at anchorage, Alaska

    USGS Publications Warehouse

    Zenone, Chester; Donaldson, D.E.; Grunwaldt, J.J.

    1975-01-01

    Studies at three solid-waste disposal sites in the Anchorage area suggest that differences in local geohydrologic conditions influence ground-water quality. A leachate was detected in ground water within and beneath two sites where the water table is very near land surface and refuse is deposited either at or below the water table in some parts of the filled areas. No leachate was detected in ground water beneath a third site where waste disposal is well above the local water table.

  12. Classroom Activities about Water and Climate Change

    NASA Astrophysics Data System (ADS)

    Rodriguez, M.

    2012-04-01

    The purpose of this activity is to demonstrate practical work and experiments in the classroom, with students on Water: Water is the most neccesary Earth's resource, although it is decreasing because many human activities are changing its quality and its availability. The activity is designed in order to recreate experiments, simulations, and determine the aspects of the problematic environment currently plaguing our planet, especially those related to water and climate change. The selected activities have to be easy to make, and easy to understand. Each activity will be illustrated, explained and described using pictures and short texts, so teachers could replay them in their classroom. 1. Simulation of the Ocean Water Currents Convection to understand the heat distribution in our planet. 2. Ocean Water Stratification According to Water Salinity. We can understand the behaviour of water when we mix water from different densities 3. Melting of the Arctic and Antarctic Polar Caps. In this experiment, we can see the consequences of changing environment and climate conditions as it pertains to ice and our polar ice caps. We want to show the different behaviours of continental and floating ice and to evaluate the consequences of their melting. 4. Detecting water pollution. Here, we can analyse some water patterns and get to know the existence or absence of pollutants in the water, as well as learning how to determine its pH level, hardness, nitrogen composition, bacteria content and more. 5. Creating a home treatment. We show the necessity to preserve the water quality through a suitable treatment.

  13. Involvement of novel autophosphorylation sites in ATM activation.

    PubMed

    Kozlov, Sergei V; Graham, Mark E; Peng, Cheng; Chen, Philip; Robinson, Phillip J; Lavin, Martin F

    2006-08-09

    ATM kinase plays a central role in signaling DNA double-strand breaks to cell cycle checkpoints and to the DNA repair machinery. Although the exact mechanism of ATM activation remains unknown, efficient activation requires the Mre11 complex, autophosphorylation on S1981 and the involvement of protein phosphatases and acetylases. We report here the identification of several additional phosphorylation sites on ATM in response to DNA damage, including autophosphorylation on pS367 and pS1893. ATM autophosphorylates all these sites in vitro in response to DNA damage. Antibodies against phosphoserine 1893 revealed rapid and persistent phosphorylation at this site after in vivo activation of ATM kinase by ionizing radiation, paralleling that observed for S1981 phosphorylation. Phosphorylation was dependent on functional ATM and on the Mre11 complex. All three autophosphorylation sites are physiologically important parts of the DNA damage response, as phosphorylation site mutants (S367A, S1893A and S1981A) were each defective in ATM signaling in vivo and each failed to correct radiosensitivity, genome instability and cell cycle checkpoint defects in ataxia-telangiectasia cells. We conclude that there are at least three functionally important radiation-induced autophosphorylation events in ATM.

  14. Resonant active sites in catalytic ammonia synthesis: A structural model

    NASA Astrophysics Data System (ADS)

    Cholach, Alexander R.; Bryliakova, Anna A.; Matveev, Andrey V.; Bulgakov, Nikolai N.

    2016-03-01

    Adsorption sites Mn consisted of n adjacent atoms M, each bound to the adsorbed species, are considered within a realistic model. The sum of bonds Σ lost by atoms in a site in comparison with the bulk atoms was used for evaluation of the local surface imperfection, while the reaction enthalpy at that site was used as a measure of activity. The comparative study of Mn sites (n = 1-5) at basal planes of Pt, Rh, Ir, Fe, Re and Ru with respect to heat of N2 dissociative adsorption QN and heat of Nad + Had → NHad reaction QNH was performed using semi-empirical calculations. Linear QN(Σ) increase and QNH(Σ) decrease allowed to specify the resonant Σ for each surface in catalytic ammonia synthesis at equilibrium Nad coverage. Optimal Σ are realizable for Ru2, Re2 and Ir4 only, whereas other centers meet steric inhibition or unreal crystal structure. Relative activity of the most active sites in proportion 5.0 × 10- 5: 4.5 × 10- 3: 1: 2.5: 3.0: 1080: 2270 for a sequence of Pt4, Rh4, Fe4(fcc), Ir4, Fe2-5(bcc), Ru2, Re2, respectively, is in agreement with relevant experimental data. Similar approach can be applied to other adsorption or catalytic processes exhibiting structure sensitivity.

  15. Construction Site Storm Water Sampling California's New Construction Sampling and Analysis Requirements

    SciTech Connect

    Forrest, C.L.; Mathews, S.

    2002-04-02

    The California State Water Resources Control Board (State Board) originally issued a National Pollutant Discharge System (NPDES) permit for storm water discharges associated with construction activities in 1992. This NPDES permit was issued as a general permit, applicable throughout the state (with certain exceptions). The general construction permit was made site-specific by a discharger-developed Storm Water Pollution Prevention Plan (SWPPP). As with most NPDES construction storm water permits, monitoring requirements were limited to inspections. Sampling and analysis of discharges was not specifically required, but a Regional Water Quality Control Board (Regional Board) could require additional monitoring. In 1999, the State -Board revised and reissued its construction general permit. While the 1999 permit significantly enhanced the erosion and sediment control descriptions and requirements, and expanded the inspection program, sampling and analysis was still not required. Environmental advocacy groups took exception to the absence of sampling requirements and sought relief in court to add sampling and analysis. In 2001, the State Board in response to the court order adopted a resolution requiring sampling and analysis of construction site runoff under two conditions. Turbidity and/or sediment sampling is required when construction site runoff enters water bodies determined to impaired for sediment or turbidity. Sampling for non-visible pollutants is required when construction operations expose materials to storm water. Sampling construction site runoff is relatively new concept for NPDES permits. Only a few permits throughout the country require sampling and analysis for sediment-related pollutants, and California is one of the only permitting entities to require sampling for non-visible pollutants in construction site runoff. The added complexity of sampling runoff requires construction operators and erosion and sediment control professionals to expand their

  16. Lidar research activities and observations at NARL site, Gadanki, India

    NASA Astrophysics Data System (ADS)

    Yellapragada, Bhavani Kumar

    2016-05-01

    The National Atmospheric Research Laboratory (NARL), a unit of Department of Space (DOS), located at Gadanki village (13.5°N, 79.2°E, 370 m AMSL) in India, is involved in the development of lidar remote sensing technologies for atmospheric research. Several advanced lidar technologies employing micropulse, polarization, Raman and scanning have been developed at this site and demonstrated for atmospheric studies during the period between 2008 and 2015. The technology of micropulse lidar, operates at 532 nm wavelength, was successfully transferred to an industry and the commercial version has been identified for Indian Lidar network (I-LINK) programme. Under this lidar network activity, several lidar units were installed at different locations in India to study tropospheric aerosols and clouds. The polarization sensitive lidar technology was realized using a set of mini photomultiplier tube (PMT) units and has the capability to operate during day and night without a pause. The lidar technology uses a compact flashlamp pumped Qswitched laser and employs biaxial configuration between the transmitter and receiver units. The lidar technology has been utilized for understanding the polarization characteristics of boundary layer aerosols during the mixed layer development. The demonstrated Raman lidar technology, uses the third harmonic wavelength of Nd:YAG laser, provides the altitude profiles of aerosol backscattering, extinction and water vapor covering the boundary layer range and allows operation during nocturnal periods. The Raman lidar derived height profiles of aerosol backscattering and extinction coefficient, lidar ratio, and watervapor mixing ratio inform the tropical boundary layer aerosol characteristics. The scanning lidar technology uses a near infrared laser wavelength for probing the lower atmosphere and has been utilized for high resolution cloud profiling during convective periods. The lidar technology is also used for rain rate measurement during

  17. Chemical Modification of Papain and Subtilisin: An Active Site Comparison

    ERIC Educational Resources Information Center

    St-Vincent, Mireille; Dickman, Michael

    2004-01-01

    An experiment using methyle methanethiosulfonate (MMTS) and phenylmethylsulfonyl flouride (PMSF) to specifically modify the cysteine and serine residues in the active sites of papain and subtilism respectively is demonstrated. The covalent modification of these enzymes and subsequent rescue of papain shows the beginning biochemist that proteins…

  18. Energy transfer at the active sites of heme proteins

    SciTech Connect

    Dlott, D.D.; Hill, J.R.

    1995-12-31

    Experiments using a picosecond pump-probe apparatus at the Picosecond Free-electron Laser Center at Stanford University, were performed to investigate the relaxation of carbon monoxide bound to the active sites of heme proteins. The significance of these experiments is two-fold: (1) they provide detailed information about molecular dynamics occurring at the active sites of proteins; and (2) they provide insight into the nature of vibrational relaxation processes in condensed matter. Molecular engineering is used to construct various molecular systems which are studied with the FEL. We have studied native proteins, mainly myoglobin obtained from different species, mutant proteins produced by genetic engineering using recombinant DNA techniques, and a variety of model systems which mimic the structures of the active sites of native proteins, which are produced using molecular synthesis. Use of these different systems permits us to investigate how specific molecular structural changes affect dynamical processes occurring at the active sites. This research provides insight into the problems of how different species needs are fulfilled by heme proteins which have greatly different functionality, which is induced by rather small structural changes.

  19. RATES OF IRON OXIDATION AND ARSENIC SORPTION DURING GROUND WATER-SURFACE WATER MIXING AT A HAZARDOUS WASTE SITE

    EPA Science Inventory

    The fate of arsenic discharged from contaminated ground water to a pond at a hazardous waste site is controlled, in part, by the rate of ferrous iron oxidation-precipitation and arsenic sorption. Laboratory experiments were conducted using site-derived water to assess the impact...

  20. Method of draining water through a solid waste site without leaching

    DOEpatents

    Treat, Russell L.; Gee, Glendon W.; Whyatt, Greg A.

    1993-01-01

    The present invention is a method of preventing water from leaching solid waste sites by preventing atmospheric precipitation from contacting waste as the water flows through a solid waste site. The method comprises placing at least one drain hole through the solid waste site. The drain hole is seated to prevent waste material from entering the drain hole, and the solid waste site cover material is layered and graded to direct water to flow toward the drain hole and to soil beneath the waste site.

  1. Method of draining water through a solid waste site without leaching

    DOEpatents

    Treat, R.L.; Gee, G.W.; Whyatt, G.A.

    1993-02-02

    The present invention is a method of preventing water from leaching solid waste sites by preventing atmospheric precipitation from contacting waste as the water flows through a solid waste site. The method comprises placing at least one drain hole through the solid waste site. The drain hole is seated to prevent waste material from entering the drain hole, and the solid waste site cover material is layered and graded to direct water to flow toward the drain hole and to soil beneath the waste site.

  2. Activation of phenylalanine hydroxylase by phenylalanine does not require binding in the active site.

    PubMed

    Roberts, Kenneth M; Khan, Crystal A; Hinck, Cynthia S; Fitzpatrick, Paul F

    2014-12-16

    Phenylalanine hydroxylase (PheH), a liver enzyme that catalyzes the hydroxylation of excess phenylalanine in the diet to tyrosine, is activated by phenylalanine. The lack of activity at low levels of phenylalanine has been attributed to the N-terminus of the protein's regulatory domain acting as an inhibitory peptide by blocking substrate access to the active site. The location of the site at which phenylalanine binds to activate the enzyme is unknown, and both the active site in the catalytic domain and a separate site in the N-terminal regulatory domain have been proposed. Binding of catecholamines to the active-site iron was used to probe the accessibility of the active site. Removal of the regulatory domain increases the rate constants for association of several catecholamines with the wild-type enzyme by ∼2-fold. Binding of phenylalanine in the active site is effectively abolished by mutating the active-site residue Arg270 to lysine. The k(cat)/K(phe) value is down 10⁴ for the mutant enzyme, and the K(m) value for phenylalanine for the mutant enzyme is >0.5 M. Incubation of the R270K enzyme with phenylalanine also results in a 2-fold increase in the rate constants for catecholamine binding. The change in the tryptophan fluorescence emission spectrum seen in the wild-type enzyme upon activation by phenylalanine is also seen with the R270K mutant enzyme in the presence of phenylalanine. Both results establish that activation of PheH by phenylalanine does not require binding of the amino acid in the active site. This is consistent with a separate allosteric site, likely in the regulatory domain.

  3. Isotope geochemistry of waters affected by acid mine drainage in old labour sites (SE, Spain).

    NASA Astrophysics Data System (ADS)

    Pérez-Sirvent, Carmen; Martinez-Sanchez, Maria Jose; Garcia-Lorenzo, Maria Luz; Agudo, Ines; Hernandez-Cordoba, Manuel; Recio, Clemente

    2015-04-01

    The ore deposits of this zone have iron, lead and zinc as the main metal components. Iron is present in oxides, hydroxides, sulfides, sulfates, carbonates, and silicates; lead and zinc occur in sulfides (galena and sphalerite, respectively), carbonates, sulfates, and lead or zinc-bearing (manganese, iron) oxides. Mining started with the Romans and activity peaked in the second half of the 19th century and throughout the 20th century until the 1980's. From 1940 to 1957, mineral concentration was made by froth flotation and, prior to this, by gravimetric techniques. The mining wastes, or tailings, with a very fine particle size were deposited inland (tailings dams) and, since 1957, huge releases were made in directly the sea coast. The objective of this work was to evaluate processes affecting waters from abandoned mine sites by way of stable isotopic analysis, particularly H and O stable isotopes from water and S and O from dissolved sulfates. Several common chemical and physical processes, such as evaporation, water-rock interaction and mixing could alter water isotopic composition. Evaporation, which causes an enrichment in δD and δ18O in the residual water, is an important process in semiarid areas. The results obtained indicate that, for sites near the coast, waters are meteoric, and marine infiltration only takes place in the deepest layers near the shore or if water remains stagnated in sediments with low permeability. The main source of sulfate was the oxidation of sulfides, resulting in the liberation of acid, sulfate and metals. In order to assess the mechanism responsible for sulfide oxidation, the stoichiometric isotope balance model and the general isotope balance model were tested, suggesting that the oxidation via Fe3+ was predominant in the surface, and controlled by A. ferrooxidans, while at depth, sulfate reduction occurred.

  4. Technetium-99, iodine-129 and tritium in the waters of the Savannah River Site.

    PubMed

    Beals, D M; Hayes, D W

    1995-12-01

    Surface water samples were collected from streams on and around the Savannah River Site (SRS) to assess current 3H, 99Tc, and 129I concentrations in the water. The SRS is a nuclear facility operated by Westinghouse Savannah River Company for the US Department of Energy. Water quality parameters were measured at the time of collection using field portable instrumentation. The tritium activity was determined by liquid scintillation spectrometry. The isotopes, 99Tc and 129I, were determined by isotope dilution/inductively coupled plasma-mass spectrometry (D.M. Beals, Determination of technetium-99 in aqueous samples by isotope dilution inductively coupled plasma-mass spectrometry. Presented at the 3rd International Conference on Nuclear and Radiochemistry, Vienna, September 1992, unpublished data; D.M. Beals, P. Chastagner and P.K. Turner, Analysis of iodine-129 in aqueous samples by inductively coupled plasma-mass spectrometry. Presented at the 38th Annual Conference on Bioassay, Analytical and Environmental Radiochemistry, Santa Fe, NM, November 1992). Elevated activities of 3H, 99Tc, and 129I were found in some surface streams of the SRS, principally due to migration of ground water from beneath old seepage basins, however the levels in the waters leaving the SRS are well below any regulatory guidelines.

  5. Evolution of anatase surface active sites probed by in situ sum-frequency phonon spectroscopy.

    PubMed

    Cao, Yue; Chen, Shiyou; Li, Yadong; Gao, Yi; Yang, Deheng; Shen, Yuen Ron; Liu, Wei-Tao

    2016-09-01

    Surface active sites of crystals often govern their relevant surface chemistry, yet to monitor them in situ in real atmosphere remains a challenge. Using surface-specific sum-frequency spectroscopy, we identified the surface phonon mode associated with the active sites of undercoordinated titanium ions and conjoint oxygen vacancies, and used it to monitor them on anatase (TiO2) (101) under ambient conditions. In conjunction with theory, we determined related surface structure around the active sites and tracked the evolution of oxygen vacancies under ultraviolet irradiation. We further found that unlike in vacuum, the surface oxygen vacancies, which dominate the surface reactivity, are strongly regulated by ambient gas molecules, including methanol and water, as well as weakly associated species, such as nitrogen and hydrogen. The result revealed a rich interplay between prevailing ambient species and surface reactivity, which can be omnipresent in environmental and catalytic applications of titanium dioxides.

  6. Evolution of anatase surface active sites probed by in situ sum-frequency phonon spectroscopy

    PubMed Central

    Cao, Yue; Chen, Shiyou; Li, Yadong; Gao, Yi; Yang, Deheng; Shen, Yuen Ron; Liu, Wei-Tao

    2016-01-01

    Surface active sites of crystals often govern their relevant surface chemistry, yet to monitor them in situ in real atmosphere remains a challenge. Using surface-specific sum-frequency spectroscopy, we identified the surface phonon mode associated with the active sites of undercoordinated titanium ions and conjoint oxygen vacancies, and used it to monitor them on anatase (TiO2) (101) under ambient conditions. In conjunction with theory, we determined related surface structure around the active sites and tracked the evolution of oxygen vacancies under ultraviolet irradiation. We further found that unlike in vacuum, the surface oxygen vacancies, which dominate the surface reactivity, are strongly regulated by ambient gas molecules, including methanol and water, as well as weakly associated species, such as nitrogen and hydrogen. The result revealed a rich interplay between prevailing ambient species and surface reactivity, which can be omnipresent in environmental and catalytic applications of titanium dioxides. PMID:27704049

  7. Changes in active site histidine hydrogen bonding trigger cryptochrome activation.

    PubMed

    Ganguly, Abir; Manahan, Craig C; Top, Deniz; Yee, Estella F; Lin, Changfan; Young, Michael W; Thiel, Walter; Crane, Brian R

    2016-09-06

    Cryptochrome (CRY) is the principal light sensor of the insect circadian clock. Photoreduction of the Drosophila CRY (dCRY) flavin cofactor to the anionic semiquinone (ASQ) restructures a C-terminal tail helix (CTT) that otherwise inhibits interactions with targets that include the clock protein Timeless (TIM). All-atom molecular dynamics (MD) simulations indicate that flavin reduction destabilizes the CTT, which undergoes large-scale conformational changes (the CTT release) on short (25 ns) timescales. The CTT release correlates with the conformation and protonation state of conserved His378, which resides between the CTT and the flavin cofactor. Poisson-Boltzmann calculations indicate that flavin reduction substantially increases the His378 pKa Consistent with coupling between ASQ formation and His378 protonation, dCRY displays reduced photoreduction rates with increasing pH; however, His378Asn/Arg variants show no such pH dependence. Replica-exchange MD simulations also support CTT release mediated by changes in His378 hydrogen bonding and verify other responsive regions of the protein previously identified by proteolytic sensitivity assays. His378 dCRY variants show varying abilities to light-activate TIM and undergo self-degradation in cellular assays. Surprisingly, His378Arg/Lys variants do not degrade in light despite maintaining reactivity toward TIM, thereby implicating different conformational responses in these two functions. Thus, the dCRY photosensory mechanism involves flavin photoreduction coupled to protonation of His378, whose perturbed hydrogen-bonding pattern alters the CTT and surrounding regions.

  8. Changes in active site histidine hydrogen bonding trigger cryptochrome activation

    PubMed Central

    Ganguly, Abir; Manahan, Craig C.; Top, Deniz; Yee, Estella F.; Lin, Changfan; Young, Michael W.; Thiel, Walter; Crane, Brian R.

    2016-01-01

    Cryptochrome (CRY) is the principal light sensor of the insect circadian clock. Photoreduction of the Drosophila CRY (dCRY) flavin cofactor to the anionic semiquinone (ASQ) restructures a C-terminal tail helix (CTT) that otherwise inhibits interactions with targets that include the clock protein Timeless (TIM). All-atom molecular dynamics (MD) simulations indicate that flavin reduction destabilizes the CTT, which undergoes large-scale conformational changes (the CTT release) on short (25 ns) timescales. The CTT release correlates with the conformation and protonation state of conserved His378, which resides between the CTT and the flavin cofactor. Poisson-Boltzmann calculations indicate that flavin reduction substantially increases the His378 pKa. Consistent with coupling between ASQ formation and His378 protonation, dCRY displays reduced photoreduction rates with increasing pH; however, His378Asn/Arg variants show no such pH dependence. Replica-exchange MD simulations also support CTT release mediated by changes in His378 hydrogen bonding and verify other responsive regions of the protein previously identified by proteolytic sensitivity assays. His378 dCRY variants show varying abilities to light-activate TIM and undergo self-degradation in cellular assays. Surprisingly, His378Arg/Lys variants do not degrade in light despite maintaining reactivity toward TIM, thereby implicating different conformational responses in these two functions. Thus, the dCRY photosensory mechanism involves flavin photoreduction coupled to protonation of His378, whose perturbed hydrogen-bonding pattern alters the CTT and surrounding regions. PMID:27551082

  9. Optimization Review: Ogallala Ground Water Contamination Superfund Site, Operable Unit 2 (Tip Top Cleaners), Ogallala, Nebraska

    EPA Pesticide Factsheets

    The Ogallala Ground Water Contamination Superfund site was identified in 1989 through municipal well sampling. Tetrachloroethene (PCE), a solvent commonly used in dry cleaner operations, was the primary ground water target chemical of concern (COC) that..

  10. Theoretical study of catalytic mechanism for single-site water oxidation process

    PubMed Central

    Lin, Xiangsong; Hu, Xiangqian; Concepcion, Javier J.; Chen, Zuofeng; Liu, Shubin; Meyer, Thomas J.; Yang, Weitao

    2012-01-01

    Water oxidation is a linchpin in solar fuels formation, and catalysis by single-site ruthenium complexes has generated significant interest in this area. Combining several theoretical tools, we have studied the entire catalytic cycle of water oxidation for a single-site catalyst starting with [RuII(tpy)(bpm)(OH2)]2+ (i.e., [RuII-OH2]2+; tpy is 2,2′∶6′,2′′-terpyridine and bpm is 2,2′-bypyrimidine) as a representative example of a new class of single-site catalysts. The redox potentials and pKa calculations for the first two proton-coupled electron transfers (PCETs) from [RuII-OH2]2+ to [RuIV = O]2+ and the following electron-transfer process to [RuV = O]3+ suggest that these processes can proceed readily in acidic or weakly basic conditions. The subsequent water splitting process involves two water molecules, [RuV = O]3+ to generate [RuIII-OOH]2+, and H3O+ with a low activation barrier (∼10 kcal/mol). After the key O---O bond forming step in the single-site Ru catalysis, another PECT process oxidizes [RuIII-OOH]2+ to [RuIV-OO]2+ when the pH is lower than 3.7. Two possible forms of [RuIV-OO]2+, open and closed, can exist and interconvert with a low activation barrier (< 7 kcal/mol) due to strong spin-orbital coupling effects. In Pathway 1 at pH = 1.0, oxygen release is rate-limiting with an activation barrier ∼12 kcal/mol while the electron-transfer step from [RuIV-OO]2+ to [RuV - OO]3+ becomes rate-determining at pH = 0 (Pathway 2) with Ce(IV) as oxidant. The results of these theoretical studies with atomistic details have revealed subtle details of reaction mechanisms at several stages during the catalytic cycle. This understanding is helpful in the design of new catalysts for water oxidation. PMID:22615356

  11. Probing the promiscuous active site of myo-inositol dehydrogenase using synthetic substrates, homology modeling, and active site modification.

    PubMed

    Daniellou, Richard; Zheng, Hongyan; Langill, David M; Sanders, David A R; Palmer, David R J

    2007-06-26

    The active site of myo-inositol dehydrogenase (IDH, EC 1.1.1.18) from Bacillus subtilis recognizes a variety of mono- and disaccharides, as well as 1l-4-O-substituted inositol derivatives. It catalyzes the NAD+-dependent oxidation of the axial alcohol of these substrates with comparable kinetic constants. We have found that 4-O-p-toluenesulfonyl-myo-inositol does not act as a substrate for IDH, in contrast to structurally similar compounds such as those bearing substituted benzyl substituents in the same position. X-ray crystallographic analysis of 4-O-p-toluenesulfonyl-myo-inositol and 4-O-(2-naphthyl)methyl-myo-inositol, which is a substrate for IDH, shows a distinct difference in the preferred conformation of the aryl substituent. Conformational analysis of known substrates of IDH suggests that this conformational difference may account for the difference in reactivity of 4-O-p-toluenesulfonyl-myo-inositol in the presence of IDH. A sequence alignment of IDH with the homologous glucose-fructose oxidoreductase allowed the construction of an homology model of inositol dehydrogenase, to which NADH and 4-O-benzyl-scyllo-inosose were docked and the active site energy minimized. The active site model is consistent with all experimental results and suggests that a conserved tyrosine-glycine-tyrosine motif forms the hydrophobic pocket adjoining the site of inositol recognition. Y233F and Y235F retain activity, while Y233R and Y235R do not. A histidine-aspartate pair, H176 and D172, are proposed to act as a dyad in which H176 is the active site acid/base. The enzyme is inactivated by diethyl pyrocarbonate, and the mutants H176A and D172N show a marked loss of activity. Kinetic isotope effect experiments with D172N indicate that chemistry is rate-determining for this mutant.

  12. The active site structure and mechanism of phosphoenolpyruvate utilizing enzymes

    SciTech Connect

    Cheng, K.C.

    1989-01-01

    Arginine specific reagents showed irreversible inhibition of avian liver mitochondrial phosphoenolpyruvate carboxykinase. Potent protection against modification was elicited by CO{sub 2} or CO{sub 2} in the presence of other substrates. Labeling of enzyme with (7-{sup 14}C) phenylglyoxal showed that 1 or 2 arginines are involved in CO{sub 2} binding and activation. Peptide map studies showed this active site arginine residues is located at position 289. Histidine specific reagents showed pseudo first order inhibition of avian mitochondrial phosphoenolpyruvate carboxykinase activity. The best protection against modification was elicited by IDP or IDP and Mn{sup +2}. One histidine residue is at or near the phosphoenolpyruvate binding site as demonstrated in the increased absorbance at 240 nm and proton relaxation rate studies. Circular dichroism studies reveal that enzyme structure was perturbed by diethylpyrocarbonate modification. Metal binding studies suggest that this enzyme has only one metal binding site. The putative binding sites from several GTP and phosphoenolpyruvate utilizing enzymes are observed in P-enolpyruvate carboxykinase from different species.

  13. Logs and completion data for water and mass balance wells in Mortandad and Ten Site Canyons

    SciTech Connect

    McLin, S.G.; Purtymun, W.D.; Swanton, A.S.; Koch, R.J.

    1997-10-01

    Twenty-four monitoring wells were drilled and completed in December 1994 as part of a water and mass balance study for the shallow perched aquifer in the Mortandad Canyon alluvium and in the lower part of Ten-Site Canyon. The wells penetrated the alluvium containing the aquifer and were completed into the top of the weathered tuff. Twelve of these wells encountered the Tshirege Member (Cooing Unit 1 g) of the Bandelier Tuff below the canyon alluvium, while ten wells made contact with the Cerro Toledo interval, which lies between the Tshirege and Otowi Members of the Bandelier Tuff. The remaining two wells were completed into the alluvium above the weathered tuff contact. These wells provide access for continuous water level measurement and water sampling. Data from these new wells will be used to determine changes in alluvial aquifer water storage, water quality sampling, and estimation of seepage into the unsaturated Bandelier Tuff below the alluvium. This report documents drilling activities and well completion logs for the water and mass balance study. These wells also provide critical new data for fourteen north-south vertical cross-sections constructed for the canyon alluvium.

  14. Interaction of mining activities and aquatic environment: A review from Greek mine sites.

    NASA Astrophysics Data System (ADS)

    Vasileiou, Eleni; Kallioras, Andreas

    2016-04-01

    In Greece a significant amount of mineral and ore deposits have been recorded accompanied by large industrial interest and a long mining history. Today many active and/or abandoned mine sites are scattered within the country; while mining activities take place in different sites for exploiting various deposits (clay, limestone, slate, gypsum, kaolin, mixed sulphide ores (lead, zinc, olivine, pozzolan, quartz lignite, nickel, magnesite, aluminum, bauxite, gold, marbles etc). The most prominent recent ones are: (i) the lignite exploitation that is extended in the area of Ptolemais (Western Macedonia) and Megalopolis (Central Peloponnese); and (ii) the major bauxite deposits located in central Greece within the Parnassos-Ghiona geotectonic zone and on Euboea Island. In the latter area, significant ores of magnesite were exploited and mixed sulphide ores. Centuries of intensive mining exploitation and metallurgical treatment of lead-silver deposits in Greece, have also resulted in significant abandoned sites, such as the one in Lavrion. Mining activities in Lavrio, were initiated in ancient times and continued until the 1980s, resulting in the production of significant waste stockpiles deposited in the area, crucial for the local water resources. Ιn many mining sites, environmental pressures are also recorded after the mine closure to the aquatic environment, as the surface waters flow through waste dump areas and contaminated soils. This paper aims to the geospatial visualization of the mining activities in Greece, in connection to their negative (surface- and/or ground-water pollution; overpumping due to extensive dewatering practices) or positive (enhanced groundwater recharge; pit lakes, improvement of water budget in the catchment scale) impacts on local water resources.

  15. Alternative drinking-water treatment technology applications from Superfund sites: development of a national register

    SciTech Connect

    Goodrich, J.A.; Clark, R.M.; Von Huben, H.; Bianchin, S.

    1988-05-01

    This paper describes a prototype program initiated by U.S. EPA's Drinking Water Research Division (Cincinnati, Ohio), Region V Drinking Water Program (Chicago, Illinois), and Technology Evaluation Section (Edison, New Jersey) to inventory the types of drinking water related technology being applied at Superfund sites. Data from local utilities and State-funded sites were also included, accounting for nearly half the data collected at this time. Ground water as well as surface-water sites were inventoried. Future monitoring and research could focus on organic contaminants subject to variable influent and on other toxic wastes.

  16. Rapid catalytic water oxidation by a single site, Ru carbene catalyst

    SciTech Connect

    Chen, Zuofeng; Concepcion, Javier J.; Meyer, Thomas J.

    2011-01-01

    Compared to earlier single site catalysts, greatly enhanced rates of electrocatalytic water oxidation by the Ru carbene catalyst [Ru(tpy)(Mebim-py)(OH2)]2+ (tpy = 2,2':6',2''-terpyridine; Mebim-py = 3-methyl-1-pyridylbenzimidazol-2-ylidene) have been observed. The mechanism appears to be the same with proton coupled electron transfer (PCET) activation to RuV=O3+ followed by O–O coupling and further oxidation. An important factor in the enhanced reactivity of the carbene complex may come from increased driving force for the O–O bond forming step.

  17. Global water cycle and solar activity variations

    NASA Astrophysics Data System (ADS)

    Al-Tameemi, Muthanna A.; Chukin, Vladimir V.

    2016-05-01

    The water cycle is the most active and most important component in the circulation of global mass and energy in the Earth system. Furthermore, water cycle parameters such as evaporation, precipitation, and precipitable water vapour play a major role in global climate change. In this work, we attempt to determine the impact of solar activity on the global water cycle by analyzing the global monthly values of precipitable water vapour, precipitation, and the Solar Modulation Potential in 1983-2008. The first object of this study was to calculate global evaporation for the period 1983-2008. For this purpose, we determined the water cycle rate from satellite data, and precipitation/evaporation relationship from 10 years of Planet Simulator model data. The second object of our study was to investigate the relationship between the Solar Modulation Potential (solar activity index) and the evaporation for the period 1983-2008. The results showed that there is a relationship between the solar modulation potential and the evaporation values for the period of study. Therefore, we can assume that the solar activity has an impact on the global water cycle.

  18. Androgenic and estrogenic activity in water bodies receiving cattle feedlot effluent in Eastern Nebraska, USA.

    PubMed

    Soto, Ana M; Calabro, Janine M; Prechtl, Nancy V; Yau, Alice Y; Orlando, Edward F; Daxenberger, Andreas; Kolok, Alan S; Guillette, Louis J; le Bizec, Bruno; Lange, Iris G; Sonnenschein, Carlos

    2004-03-01

    Studies reveal that surface waters worldwide are contaminated with hormonally active agents, many released from sewage treatment plants. Another potential source of aquatic hormonal contamination is livestock feedlot effluent. In this study, we assessed whether feedlot effluent contaminates watercourses by measuring a) total androgenic [methyltrienolone (R1881) equivalents] and estrogenic (17beta-estradiol equivalents) activity using the A-SCREEN and E-SCREEN bioassays and b) concentrations of anabolic agents via gas chromatography-mass spectroscopy and enzyme-based immunoassays. Water samples were collected over 3 years from up to six sites [all confluent with the Elkhorn River, Nebraska, USA: a feedlot retention pond (site 1), a site downstream from site 1 (site 2), a stream with intermediate livestock impact (site 3), and three sites with no observable livestock impact (sites 4-6)] and two sources of tap water. In 1999, samples from site 1 contained 9.6 pM R1881 equivalents and 1.7 pM 17beta-estradiol equivalents. Site 2 samples had estrogen levels similar to those in site 1 samples but lower androgen levels (3.8 pM R1881 equivalents). Androgen levels in site 3 samples were similar to those in site 2 samples, whereas estrogen levels decreased to 0.7 pM 17beta-estradiol equivalents. At site 6, androgen levels were approximately half those found at site 3, and estrogen levels were comparable with those at site 3. Sampling in later years was limited to fewer sites because of drought and lack of permission to access one site. Instrumental analysis revealed estrone but no significant levels of resorcylic acid lactones or trenbolone metabolites. Tap water was devoid of hormonal activity. We conclude that feedlot effluents contain sufficient levels of hormonally active agents to warrant further investigation of possible effects on aquatic ecosystem health.

  19. Idaho's surface-water-quality monitoring program: results from five sites sampled during water years 1990-93

    USGS Publications Warehouse

    ,

    1994-01-01

    In 1990, the U.S. Geological Survey (USGS), in cooperation with the Idaho Department of Health and Welfare, Division of Environmental Quality, implemented a statewide water-quality monitoring program in response to Idaho's antidegradation policy as required by the Clean Water Act. The program objective is to provide water-quality managers with a coordinated statewide network to detect trends in surface-water quality. The monitoring program includes the collection and analysis of samples from 56 sites on the Bear, Clearwater, Kootenai, Pend Oreille, Salmon, Snake, and Spokane Rivers and their tributaries (fig. 1). Samples are collected every year at 5 sites (annual sites) in drainage basins where long-term water-quality management is practiced, every other year at 19 sites (biennial sites) in basins where land and water uses change slowly, and every third year at 32 sites (triennial sites) where future development may affect water quality. Each year, 25 of the 56 sites are sampled. This report discusses results of sampling at five annual sites. During water years 1990-93 (October 1, 1989, through September 30, 1993), samples were collected six times per year at the five annual sites (fig. 1). Onsite analyses were made for discharge, specific conductance, pH, temperature, dissolved oxygen, bacteria (fecal coliform and fecal streptococci), and alkalinity. Laboratory analyses were made for major ions, nutrients, trace elements, and suspended sediment. Suspended sediment, nitrate, fecal coliform, trace elements, and specific conductance were used to characterize surface-water quality. Because concentrations of all trace elements except zinc were near detection limits, only zinc is discussed.

  20. In silico analysis of Pycnoporus cinnabarinus laccase active site with toxic industrial dyes.

    PubMed

    Prasad, Nirmal K; Vindal, Vaibhav; Narayana, Siva Lakshmi; Ramakrishna, V; Kunal, Swaraj Priyaranjan; Srinivas, M

    2012-05-01

    Laccases belong to multicopper oxidases, a widespread class of enzymes implicated in many oxidative functions in various industrial oxidative processes like production of fine chemicals to bioremediation of contaminated soil and water. In order to understand the mechanisms of substrate binding and interaction between substrates and Pycnoporus cinnabarinus laccase, a homology model was generated. The resulted model was further validated and used for docking studies with toxic industrial dyes- acid blue 74, reactive black 5 and reactive blue 19. Interactions of chemical mediators with the laccase was also examined. The docking analysis showed that the active site always cannot accommodate the dye molecules, due to constricted nature of the active site pocket and steric hindrance of the residues whereas mediators are relatively small and can easily be accommodated into the active site pocket, which, thereafter leads to the productive binding. The binding properties of these compounds along with identification of critical active site residues can be used for further site-directed mutagenesis experiments in order to identify their role in activity and substrate specificity, ultimately leading to improved mutants for degradation of these toxic compounds.

  1. Aquifer recharge with reclaimed water in the Llobregat Delta. Laboratory batch experiments and field test site.

    NASA Astrophysics Data System (ADS)

    Tobella, J.

    2010-05-01

    Summary Spain, as most other Mediterranean countries, faces near future water shortages, generalized pollution and loss of water dependent ecosystems. Aquifer recharge represents a promising option to become a source for indirect potable reuse purposes but presence of pathogens as well as organic and inorganic pollutants should be avoided. To this end, understanding the processes of biogeochemical degradation occurring within the aquifer during infiltration is capital. A set of laboratory batch experiments has been assembled in order to assess the behaviour of selected pesticides, drugs, estrogens, surfactant degradation products, biocides and phthalates under different redox conditions. Data collected during laboratory experiments and monitoring activities at the Sant Vicenç dels Horts test site will be used to build and calibrate a numerical model (i) of the physical-chemical-biochemical processes occurring in the batches and (ii) of multicomponent reactive transport in the unsaturated/saturated zone at the test site. Keywords Aquifer recharge, batch experiments, emerging micropollutants, infiltration, numerical model, reclaimed water, redox conditions, Soil Aquifer Treatment (SAT). 1. Introduction In Spain, the Llobregat River and aquifers, which supply water to Barcelona, have been overexploited for years and therefore, suffer from serious damages: the river dries up on summer, riparian vegetation has disappeared and seawater has intruded the aquifer. In a global context, solutions to water stress problems are urgently needed yet must be sustainable, economical and safe. Recent developments of analytical techniques detect the presence of the so-called "emerging" organic micropollutants in water and soils. Such compounds may affect living organisms when occurring in the environment at very low concentrations (microg/l or ng/l). In wastewater and drinking water treatment plants, a remarkable removal of these chemicals from water can be obtained only using

  2. Evaluation of the effects of underground water usage and spillage in the Exploratory Studies Facility; Yucca Mountain Site Characterization Project

    SciTech Connect

    Dunn, E.; Sobolik, S.R.

    1993-12-01

    The Yucca Mountain Site Characterization Project is studying Yucca Mountain in southwestern Nevada as a potential site for a high-level radioactive waste repository. Analyses reported herein were performed to support the design of site characterization activities so that these activities will have a minimal impact on the ability of the site to isolate waste and a minimal impact on underground tests performed as part of the characterization process. These analyses examine the effect of water to be used in the underground construction and testing activities for the Exploratory Studies Facility on in situ conditions. Underground activities and events where water will be used include construction, expected but unplanned spills, and fire protection. The models used predict that, if the current requirements in the Exploratory Studies Facility Design Requirements are observed, water that is imbibed into the tunnel wall rock in the Topopah Springs welded tuff can be removed over the preclosure time period by routine or corrective ventilation, and also that water imbibed into the Paintbrush Tuff nonwelded tuff will not reach the potential waste storage area.

  3. Molecular dynamics explorations of active site structure in designed and evolved enzymes.

    PubMed

    Osuna, Sílvia; Jiménez-Osés, Gonzalo; Noey, Elizabeth L; Houk, K N

    2015-04-21

    , a noncatalytic arrangement of the catalytic triad is dominant. Unnatural truncated substrates are inactive because of the lack of protein-protein interactions provided by the ACP. Directed evolution is able to gradually restore the catalytic organization of the active site by motion of the protein backbone that alters the active site geometry. In the third case, we demonstrate the key role of MD in combination with crystallography to identify the origins of substrate-dependent stereoselectivities in a number of Codexis-engineered ketoreductases, one of which is used commercially for the production of the antibiotic sulopenem. Here, mutations alter the shape of the active site as well as the accessibility of water to different regions of it. Each of these examples reveals something different about how mutations can influence enzyme activity and shows that directed evolution, like natural evolution, can increase catalytic activity in a variety of remarkable and often subtle ways.

  4. Incorporating replacement free energy of binding-site waters in molecular docking.

    PubMed

    Sun, Hanzi; Zhao, Lifeng; Peng, Shiming; Huang, Niu

    2014-09-01

    Binding-site water molecules play a crucial role in protein-ligand recognition, either being displaced upon ligand binding or forming water bridges to stabilize the complex. However, rigorously treating explicit binding-site waters is challenging in molecular docking, which requires to fully sample ensembles of waters and to consider the free energy cost of replacing waters. Here, we describe a method to incorporate structural and energetic properties of binding-site waters into molecular docking. We first developed a solvent property analysis (SPA) program to compute the replacement free energies of binding-site water molecules by post-processing molecular dynamics trajectories obtained from ligand-free protein structure simulation in explicit water. Next, we implemented a distance-dependent scoring term into DOCK scoring function to take account of the water replacement free energy cost upon ligand binding. We assessed this approach in protein targets containing important binding-site waters, and we demonstrated that our approach is reliable in reproducing the crystal binding geometries of protein-ligand-water complexes, as well as moderately improving the ligand docking enrichment performance. In addition, SPA program (free available to academic users upon request) may be applied in identifying hot-spot binding-site residues and structure-based lead optimization.

  5. Face the Edges: Catalytic Active Sites of Nanomaterials

    PubMed Central

    Ni, Bing

    2015-01-01

    Edges are special sites in nanomaterials. The atoms residing on the edges have different environments compared to those in other parts of a nanomaterial and, therefore, they may have different properties. Here, recent progress in nanomaterial fields is summarized from the viewpoint of the edges. Typically, edge sites in MoS2 or metals, other than surface atoms, can perform as active centers for catalytic reactions, so the method to enhance performance lies in the optimization of the edge structures. The edges of multicomponent interfaces present even more possibilities to enhance the activities of nanomaterials. Nanoframes and ultrathin nanowires have similarities to conventional edges of nanoparticles, the application of which as catalysts can help to reduce the use of costly materials. Looking beyond this, the edge structures of graphene are also essential for their properties. In short, the edge structure can influence many properties of materials. PMID:27980960

  6. Baseline risk assessment of ground water contamination at the Monument Valley uranium mill tailings site Cane Valley, Arizona

    SciTech Connect

    1996-03-01

    The U.S. Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project consists of the Surface Project (Phase I) and the Ground Water Project (Phase II). Under the UMTRA Surface Project, tailings, radioactive contaminated soil, equipment, and materials associated with the former uranium ore processing at UMTRA Project sites are placed into disposal cells. The cells are designed to reduce radon and other radiation emissions and to minimize further contamination of ground water. Surface cleanup at the Monument Valley UMTRA Project site near Cane Valley, Arizona, was completed in 1994. The Ground Water Project evaluates the nature and extent of ground water contamination that resulted from the uranium ore processing activities. The Ground Water Project is in its beginning stages. Human health may be at risk from exposure to ground water contaminated by uranium ore processing. Exposure could occur by drinking water pumped out of a hypothetical well drilled in the contaminated areas. Adverse ecological and agricultural effects may also result from exposure to contaminated ground water. For example, livestock should not be watered with contaminated ground water. A risk assessment describes a source of contamination, how that contamination reaches people and the environment, the amount of contamination to which people or the ecological environment may be exposed, and the health or ecological effects that could result from that exposure. This risk assessment is a site-specific document that will be used to evaluate current and potential future impacts to the public and the environment from exposure to contaminated ground water. The results of this evaluation and further site investigations will be used to determine a compliance strategy to comply with the UMTRA ground water standards.

  7. Water resources activities of the USGS, 1992

    USGS Publications Warehouse

    Smith, E. T.

    1993-01-01

    The Water Resources Division (WRD) of the U.S. Geological Survey has the principal responsibility within the Federal Government for providing hydrologic information and appraising the Nation's water resources. The USGS is unique among government organizations because it has neither regulatory nor developmental authority. Information that is made available equally to all interested parties is the sole product of the WRD. The mission, organization, source of funds, and major programs of the WRD are discussed in this report. Three types of programs are described: long-term programs, topical programs, and support programs. Emphasis is on programs that will contribute to identifying, mitigating, or solving nationwide water-resources problems in the remaining years of the 20th century. Completing the report are discussions of how the hydrologic data and information are disseminated and an index. The report describes the water-resources mission of the WRD and discusses the organization and principal sources of funds that support the activities conducted to meet this mission. Descriptions are given of the most significant water-resources activities, how the hydrologic data and information are disseminated is discussed. Each description of a significant water-resources activity has the following parts: 'Introduction', 'Activities', 'Recent Accomplishments' and 'Funding'. (USGS)

  8. Active sites in char gasification: Final technical report

    SciTech Connect

    Wojtowicz, M.; Lilly, W.D.; Perkins, M.T.; Hradil, G.; Calo, J.M.; Suuberg, E.M.

    1987-09-01

    Among the key variables in the design of gasifiers and combustors is the reactivity of the chars which must be gasified or combusted. Significant loss of unburned char is unacceptable in virtually any process; the provision of sufficient residence time for complete conversion is essential. A very wide range of reactivities are observed, depending upon the nature of the char in a process. The current work focuses on furthering the understanding of gasification reactivities of chars. It has been well established that the reactivity of char to gasification generally depends upon three principal factors: (1) the concentration of ''active sites'' in the char; (2) mass transfer within the char; and (3) the type and concentration of catalytic impurities in the char. The present study primarily addresses the first factor. The subject of this research is the origin, nature, and fate of active sites in chars derived from parent hydrocarbons with coal-like structure. The nature and number of the active sites and their reactivity towards oxygen are examined in ''model'' chars derived from phenol-formaldehyde type resins. How the active sites are lost by the process of thermal annealing during heat treatment of chars are studied, and actual rate for the annealing process is derived. Since intrinsic char reactivities are of primary interest in the present study, a fair amount of attention was given to the model char synthesis and handling so that the effect of catalytic impurities and oxygen-containing functional groups in the chemical structure of the material were minimized, if not completely eliminated. The project would not be considered complete without comparing characteristic features of synthetic chars with kinetic behavior exhibited by natural chars, including coal chars.

  9. Water-quality trends and constituent-transport analysis for selected sampling sites in the Milltown Reservoir/Clark Fork River Superfund Site in the upper Clark Fork Basin, Montana, water years 1996–2015

    USGS Publications Warehouse

    Sando, Steven K.; Vecchia, Aldo V.

    2016-07-20

    During the extended history of mining in the upper Clark Fork Basin in Montana, large amounts of waste materials enriched with metallic contaminants (cadmium, copper, lead, and zinc) and the metalloid trace element arsenic were generated from mining operations near Butte and milling and smelting operations near Anaconda. Extensive deposition of mining wastes in the Silver Bow Creek and Clark Fork channels and flood plains had substantial effects on water quality. Federal Superfund remediation activities in the upper Clark Fork Basin began in 1983 and have included substantial remediation near Butte and removal of the former Milltown Dam near Missoula. To aid in evaluating the effects of remediation activities on water quality, the U.S. Geological Survey began collecting streamflow and water-quality data in the upper Clark Fork Basin in the 1980s.Trend analysis was done on specific conductance, selected trace elements (arsenic, copper, and zinc), and suspended sediment for seven sampling sites in the Milltown Reservoir/Clark Fork River Superfund Site for water years 1996–2015. The most upstream site included in trend analysis is Silver Bow Creek at Warm Springs, Montana (sampling site 8), and the most downstream site is Clark Fork above Missoula, Montana (sampling site 22), which is just downstream from the former Milltown Dam. Water year is the 12-month period from October 1 through September 30 and is designated by the year in which it ends. Trend analysis was done by using a joint time-series model for concentration and streamflow. To provide temporal resolution of changes in water quality, trend analysis was conducted for four sequential 5-year periods: period 1 (water years 1996–2000), period 2 (water years 2001–5), period 3 (water years 2006–10), and period 4 (water years 2011–15). Because of the substantial effect of the intentional breach of Milltown Dam on March 28, 2008, period 3 was subdivided into period 3A (October 1, 2005–March 27, 2008

  10. Evaluation of surface waters associated with animal feeding operations for estrogenic chemicals and activity

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Estrogens and estrogenic activity (EA) were evaluated in surface waters associated with animal feeding operations. Water was sampled at 19 sites in 12 states using discrete (n=41) and POCIS (n=19) sampling methods. Estrogenic chemicals measured in unfiltered water by GC/MS2 included: estrone (E1),17...

  11. Interim site characterization report and ground-water monitoring program for the Hanford site solid waste landfill

    SciTech Connect

    Fruland, R.M.; Hagan, R.A.; Cline, C.S.; Bates, D.J.; Evans, J.C.; Aaberg, R.L.

    1989-07-01

    Federal and state regulations governing the operation of landfills require utilization of ground-water monitoring systems to determine whether or not landfill operations impact ground water at the point of compliance (ground water beneath the perimeter of the facility). A detection-level ground-water monitoring system was designed, installed, and initiated at the Hanford Site Solid Waste Landfill (SWL). Chlorinated hydrocarbons were detected at the beginning of the ground-water monitoring program and continue to be detected more than 1 year later. The most probable source of the chlorinated hydrocarbons is washwater discharged to the SWL between 1985 and 1987. This is an interim report and includes data from the characterization work that was performed during well installation in 1987, such as field observations, sediment studies, and geophysical logging results, and data from analyses of ground-water samples collected in 1987 and 1988, such as field parameter measurements and chemical analyses. 38 refs., 27 figs., 8 tabs.

  12. Nest predation increases with parental activity: Separating nest site and parental activity effects

    USGS Publications Warehouse

    Martin, T.E.; Scott, J.; Menge, C.

    2000-01-01

    Alexander Skutch hypothesized that increased parental activity can increase the risk of nest predation. We tested this hypothesis using ten open-nesting bird species in Arizona, USA. Parental activity was greater during the nestling than incubation stage because parents visited the nest frequently to feed their young during the nestling stage. However, nest predation did not generally increase with parental activity between nesting stages across the ten study species. Previous investigators have found similar results. We tested whether nest site effects might yield higher predation during incubation because the most obvious sites are depredated most rapidly. We conducted experiments using nest sites from the previous year to remove parental activity. Our results showed that nest sites have highly repeatable effects on nest predation risk; poor nest sites incurred rapid predation and caused predation rates to be greater during the incubation than nestling stage. This pattern also was exhibited in a bird species with similar (i.e. controlled) parental activity between nesting stages. Once nest site effects are taken into account, nest predation shows a strong proximate increase with parental activity during the nestling stage within and across species. Parental activity and nest sites exert antagonistic influences on current estimates of nest predation between nesting stages and both must be considered in order to understand current patterns of nest predation, which is an important source of natural selection.

  13. Nest predation increases with parental activity: separating nest site and parental activity effects.

    PubMed Central

    Martin, T E; Scott, J; Menge, C

    2000-01-01

    Alexander Skutch hypothesized that increased parental activity can increase the risk of nest predation. We tested this hypothesis using ten open-nesting bird species in Arizona, USA. Parental activity was greater during the nestling than incubation stage because parents visited the nest frequently to feed their young during the nestling stage. However, nest predation did not generally increase with parental activity between nesting stages across the ten study species. Previous investigators have found similar results. We tested whether nest site effects might yield higher predation during incubation because the most obvious sites are depredated most rapidly. We conducted experiments using nest sites from the previous year to remove parental activity. Our results showed that nest sites have highly repeatable effects on nest predation risk; poor nest sites incurred rapid predation and caused predation rates to be greater during the incubation than nestling stage. This pattern also was exhibited in a bird species with similar (i.e. controlled) parental activity between nesting stages. Once nest site effects are taken into account, nest predation shows a strong proximate increase with parental activity during the nestling stage within and across species. Parental activity and nest sites exert antagonistic influences on current estimates of nest predation between nesting stages and both must be considered in order to understand current patterns of nest predation, which is an important source of natural selection. PMID:11413645

  14. Active site amino acid sequence of human factor D.

    PubMed

    Davis, A E

    1980-08-01

    Factor D was isolated from human plasma by chromatography on CM-Sephadex C50, Sephadex G-75, and hydroxylapatite. Digestion of reduced, S-carboxymethylated factor D with cyanogen bromide resulted in three peptides which were isolated by chromatography on Sephadex G-75 (superfine) equilibrated in 20% formic acid. NH2-Terminal sequences were determined by automated Edman degradation with a Beckman 890C sequencer using a 0.1 M Quadrol program. The smallest peptide (CNBr III) consisted of the NH2-terminal 14 amino acids. The other two peptides had molecular weights of 17,000 (CNBr I) and 7000 (CNBr II). Overlap of the NH2-terminal sequence of factor D with the NH2-terminal sequence of CNBr I established the order of the peptides. The NH2-terminal 53 residues of factor D are somewhat more homologous with the group-specific protease of rat intestine than with other serine proteases. The NH2-terminal sequence of CNBr II revealed the active site serine of factor D. The typical serine protease active site sequence (Gly-Asp-Ser-Gly-Gly-Pro was found at residues 12-17. The region surrounding the active site serine does not appear to be more highly homologous with any one of the other serine proteases. The structural data obtained point out the similarities between factor D and the other proteases. However, complete definition of the degree of relationship between factor D and other proteases will require determination of the remainder of the primary structure.

  15. Brownian aggregation rate of colloid particles with several active sites

    SciTech Connect

    Nekrasov, Vyacheslav M.; Yurkin, Maxim A.; Chernyshev, Andrei V.; Polshchitsin, Alexey A.; Yakovleva, Galina E.; Maltsev, Valeri P.

    2014-08-14

    We theoretically analyze the aggregation kinetics of colloid particles with several active sites. Such particles (so-called “patchy particles”) are well known as chemically anisotropic reactants, but the corresponding rate constant of their aggregation has not yet been established in a convenient analytical form. Using kinematic approximation for the diffusion problem, we derived an analytical formula for the diffusion-controlled reaction rate constant between two colloid particles (or clusters) with several small active sites under the following assumptions: the relative translational motion is Brownian diffusion, and the isotropic stochastic reorientation of each particle is Markovian and arbitrarily correlated. This formula was shown to produce accurate results in comparison with more sophisticated approaches. Also, to account for the case of a low number of active sites per particle we used Monte Carlo stochastic algorithm based on Gillespie method. Simulations showed that such discrete model is required when this number is less than 10. Finally, we applied the developed approach to the simulation of immunoagglutination, assuming that the formed clusters have fractal structure.

  16. [Mechanism of arginine deiminase activity by site-directed mutagenesis].

    PubMed

    Li, Lifeng; Ni, Ye; Sun, Zhihao

    2012-04-01

    Arginine deiminase (ADI) has been studied as a potential anti-cancer agent for inhibiting arginine-auxotrophic tumors (such as melanomas and hepatocellular carcinomas) in phase III clinical trials. In this work, we studied the molecular mechanism of arginine deiminase activity by site-directed mutagenesis. Three mutation sites, A128, H404 and 1410, were introduced into wild-type ADI gene by QuikChange site-directed mutagenesis method, and four ADI mutants M1 (A128T), M2 (H404R), M3 (I410L), and M4 (A128T, H404R) were obtained. The ADI mutants were individually expressed in Escherichia coli BL21 (DE3), and the enzymatic properties of the purified mutant proteins were determined. The results show that both A128T and H404R had enhanced optimum pH, higher activity and stability of ADI under physiological condition (pH 7.4), as well as reduced K(m) value. This study provides an insight into the molecular mechanism of the ADI activity, and also the experimental evidence for the rational protein evolution in the future.

  17. Amine binding and oxidation at the catalytic site for photosynthetic water oxidation

    PubMed Central

    Ouellette, Anthony J. A.; Anderson, Lorraine B.; Barry, Bridgette A.

    1998-01-01

    Photosynthetic water oxidation occurs at the Mn-containing catalytic site of photosystem II (PSII). By the use of 14C-labeled amines and SDS-denaturing PAGE, covalent adducts derived from primary amines and the PSII subunits, CP47, D2/D1, and the Mn-stabilizing protein, can be observed. When PSII contains the 18- and 24-kDa extrinsic proteins, which restrict access to the active site, no 14C labeling is obtained. NaCl, but not Na2SO4, competes with 14C labeling in Mn-containing PSII preparations, and the concentration dependence of this competition parallels the activation of oxygen evolution. Formation of 14C-labeled adducts is observed in the presence or in the absence of a functional manganese cluster. However, no significant Cl− effect on 14C labeling is observed in the absence of the Mn cluster. Isolation and quantitation of the 14C-labeled aldehyde product, produced from [14C]benzylamine, gives yields of 1.8 ± 0.3 mol/mol PSII and 2.9 ± 0.2 mol/mol in Mn-containing and Mn-depleted PSII, respectively. The corresponding specific activities are 0.40 ± 0.07 μmol(μmol PSII-hr)−1 and 0.64 ± 0.04 μmol(μmol PSII-hr)−1. Cl− suppresses the production of [14C]benzaldehyde in Mn-containing PSII, but does not suppress the production in Mn-depleted preparations. Control experiments show that these oxidation reactions do not involve the redox-active tyrosines, D and Z. Our results suggest the presence of one or more activated carbonyl groups in protein subunits that form the active site of PSII. PMID:9482863

  18. A mutational analysis of the active site of human type II inosine 5'-monophosphate dehydrogenase.

    PubMed

    Futer, Olga; Sintchak, Michael D; Caron, Paul R; Nimmesgern, Elmar; DeCenzo, Maureen T; Livingston, David J; Raybuck, Scott A

    2002-01-31

    The oxidation of IMP to XMP is the rate-limiting step in the de novo synthesis of guanine ribonucleotides. This NAD-dependent reaction is catalyzed by the enzyme inosine monophosphate dehydrogenase (IMPDH). Based upon the recent structural determination of IMPDH complexed to oxidized IMP (XMP*) and the potent uncompetitive inhibitor mycophenolic acid (MPA), we have selected active site residues and prepared mutants of human type II IMPDH. The catalytic parameters of these mutants were determined. Mutations G326A, D364A, and the active site nucleophile C331A all abolish enzyme activity to less than 0.1% of wild type. These residues line the IMP binding pocket and are necessary for correct positioning of the substrate, Asp364 serving to anchor the ribose ring of the nucleotide. In the MPA/NAD binding site, significant loss of activity was seen by mutation of any residue of the triad Arg322, Asn303, Asp274 which form a hydrogen bonding network lining one side of this pocket. From a model of NAD bound to the active site consistent with the mutational data, we propose that these resides are important in binding the ribose ring of the nicotinamide substrate. Additionally, mutations in the pair Thr333, Gln441, which lies close to the xanthine ring, cause a significant drop in the catalytic activity of IMPDH. It is proposed that these residues serve to deliver the catalytic water molecule required for hydrolysis of the cysteine-bound XMP* intermediate formed after oxidation by NAD.

  19. Potential sites of CFTR activation by tyrosine kinases

    PubMed Central

    Billet, Arnaud; Jia, Yanlin; Jensen, Timothy J.; Hou, Yue-Xian; Chang, Xiu-Bao; Riordan, John R.; Hanrahan, John W.

    2016-01-01

    ABSTRACT The CFTR chloride channel is tightly regulated by phosphorylation at multiple serine residues. Recently it has been proposed that its activity is also regulated by tyrosine kinases, however the tyrosine phosphorylation sites remain to be identified. In this study we examined 2 candidate tyrosine residues near the boundary between the first nucleotide binding domain and the R domain, a region which is important for channel function but devoid of PKA consensus sequences. Mutating tyrosines at positions 625 and 627 dramatically reduced responses to Src or Pyk2 without altering the activation by PKA, suggesting they may contribute to CFTR regulation. PMID:26645934

  20. Effects of livestock watering sites on alien and native plants in the Mojave Desert, USA

    USGS Publications Warehouse

    Brooks, M.L.; Matchett, J.R.; Berry, K.H.

    2006-01-01

    Increased livestock densities near artificial watering sites create disturbance gradients called piospheres. We studied responses of alien and native annual plants and native perennial plants within 9 piospheres in the Mojave Desert of North America. Absolute and proportional cover of alien annual plants increased with proximity to watering sites, whereas cover and species richness of native annual plants decreased. Not all alien species responded the same, as the alien forb Erodium cicutarium and the alien grass Schismus spp. increased with proximity to watering sites, and the alien annual grass Bromus madritensis ssp. rubens decreased. Perennial plant cover and species richness also declined with proximity to watering sites, as did the structural diversity of perennial plant cover classes. Significant effects were focused within 200 m of the watering sites, suggesting that control efforts for alien annual plants and restoration efforts for native plants should optimally be focused within this central part of the piosphere gradient.

  1. Comparative analysis of effluent water quality from a municipal treatment plant and two on-site wastewater treatment systems.

    PubMed

    Garcia, Santos N; Clubbs, Rebekah L; Stanley, Jacob K; Scheffe, Brian; Yelderman, Joe C; Brooks, Bryan W

    2013-06-01

    Though decentralized on-site technologies are extensively employed for wastewater treatment around the globe, an understanding of effluent water quality impairments associated with these systems remain less understood than effluent discharges from centralized municipal wastewater treatment facilities. Using a unique experimental facility, a novel comparative analysis of effluent water quality was performed from model decentralized aerobic (ATS) and septic (STS) on-site wastewater treatment systems and a centralized municipal wastewater treatment plant (MTP). The ATS and STS units did not benefit from further soil treatment. Each system received common influent wastewater from the Waco, Texas, USA Metropolitan Area Regional Sewerage System. We tested the hypothesis that MTP effluent would exhibit higher water quality than on-site effluents, based on parameters selected for study. A tiered testing approach was employed to assess the three effluent discharges: select routine water quality parameters (Tier I), whole effluent toxicity (Tier II), and select endocrine-active compounds (Tier III). Contrary to our hypothesis, ATS effluent was not statistically different from MTP effluents, based on Tier I and III parameters, but reproductive responses of Daphnia magna were slightly more sensitive to ATS than MTP effluents. STS effluent water quality was identified as most degraded of the three wastewater treatment systems. Parameters used to assess centralized wastewater treatment plant effluent water quality such as whole effluent toxicity and endocrine active substances appear useful for water quality assessments of decentralized discharges. Aerobic on-site wastewater treatment systems may represent more robust options than traditional septic systems for on-site wastewater treatment in watersheds with appreciable groundwater - surface water exchange.

  2. Managing dredged sediment placement in open-water disposal sites, Upper Chesapeake Bay

    USGS Publications Warehouse

    Panageotou, W.; Garbaciak, Jr. S.

    2002-01-01

    The maintenance dredging of fine-grained sediment which accumulated in shipping channels in the Upper Chesapeake was discussed. The capacity of open-water sites was maximized in an environmentally acceptable manner to provide adequate time for the development of beneficial use or confined placement sites. The additional water column turbidity generated by dragging operations and bottom sediment movement during placement raised environmental concerns which weighted against the need to maximize capacity. The inter-agency team overseeing site management provided a mechanism to implement operational changes which maximized site capacity and insured operational use through the projected life span of the site.

  3. Selecting an optimal number of binding site waters to improve virtual screening enrichments against the adenosine A2A receptor.

    PubMed

    Lenselink, Eelke B; Beuming, Thijs; Sherman, Woody; van Vlijmen, Herman W T; IJzerman, Adriaan P

    2014-06-23

    A major challenge in structure-based virtual screening (VS) involves the treatment of explicit water molecules during docking in order to improve the enrichment of active compounds over decoys. Here we have investigated this in the context of the adenosine A2A receptor, where water molecules have previously been shown to be important for achieving high enrichment rates with docking, and where the positions of some binding site waters are known from a high-resolution crystal structure. The effect of these waters (both their presence and orientations) on VS enrichment was assessed using a carefully curated set of 299 high affinity A2A antagonists and 17,337 decoys. We show that including certain crystal waters greatly improves VS enrichment and that optimization of water hydrogen positions is needed in order to achieve the best results. We also show that waters derived from a molecular dynamics simulation - without any knowledge of crystallographic waters - can improve enrichments to a similar degree as the crystallographic waters, which makes this strategy applicable to structures without experimental knowledge of water positions. Finally, we used decision trees to select an ensemble of structures with different water molecule positions and orientations that outperforms any single structure with water molecules. The approach presented here is validated against independent test sets of A2A receptor antagonists and decoys from the literature. In general, this water optimization strategy could be applied to any target with waters-mediated protein-ligand interactions.

  4. MSK1 activity is controlled by multiple phosphorylation sites

    PubMed Central

    McCOY, Claire E.; Campbell, David G.; Deak, Maria; Bloomberg, Graham B.; Arthur, J. Simon C.

    2004-01-01

    MSK1 (mitogen- and stress-activated protein kinase) is a kinase activated in cells downstream of both the ERK1/2 (extracellular-signal-regulated kinase) and p38 MAPK (mitogen-activated protein kinase) cascades. In the present study, we show that, in addition to being phosphorylated on Thr-581 and Ser-360 by ERK1/2 or p38, MSK1 can autophosphorylate on at least six sites: Ser-212, Ser-376, Ser-381, Ser-750, Ser-752 and Ser-758. Of these sites, the N-terminal T-loop residue Ser-212 and the ‘hydrophobic motif’ Ser-376 are phosphorylated by the C-terminal kinase domain of MSK1, and their phosphorylation is essential for the catalytic activity of the N-terminal kinase domain of MSK1 and therefore for the phosphorylation of MSK1 substrates in vitro. Ser-381 is also phosphorylated by the C-terminal kinase domain, and mutation of Ser-381 decreases MSK1 activity, probably through the inhibition of Ser-376 phosphorylation. Ser-750, Ser-752 and Ser-758 are phosphorylated by the N-terminal kinase domain; however, their function is not known. The activation of MSK1 in cells therefore requires the activation of the ERK1/2 or p38 MAPK cascades and does not appear to require additional signalling inputs. This is in contrast with the closely related RSK (p90 ribosomal S6 kinase) proteins, whose activity requires phosphorylation by PDK1 (3-phosphoinositide-dependent protein kinase 1) in addition to phosphorylation by ERK1/2. PMID:15568999

  5. Land and water use characteristics in the vicinity of the Savannah River Site

    SciTech Connect

    Hamby, D.M.

    1991-03-01

    Routine operations at the Savannah River Site (SRS) result in the release of small amounts of radionuclides to the atmosphere and to the Savannah River. The resulting radiological doses to the offsite maximum individual and the offsite population within 50 miles of the SRS are estimated on a yearly basis. These estimates are generated using dose models prescribed for the commercial nuclear power industry by the Nuclear Regulatory Commission (NRC). The NRC provides default values for dose model parameters for facilities not having enough data to develop site-specific values. A survey of land and water use characteristics for the Savannah River area has been conducted to determine as many site-specific values as possible for inclusion in the dose models used at the SRS. These site parameters include local characteristics of meat, milk, and vegetable production; river recreational activities; and meat, milk, and vegetable consumption rates. The report that follows describes the origin of the NRC default values, the methodology for deriving regional data, the results of the study, and the derivations of region-specific usage and consumption rates. 33 refs., 3 figs., 8 tabs.

  6. Movement of shaft and drift construction water in Yucca Mountain, Nevada: An extended study; Yucca Mountain Site Characterization Project

    SciTech Connect

    Sobolik, S.R.; Fewell, M.E.; Eaton, R.R.

    1991-12-01

    The Yucca Mountain Site Characterization Project is studying Yucca Mountain in southwestern Nevada as a potential site for a high-level nuclear waste repository. Site characterization includes surface-based and underground testing. Analyses have been performed to design site characterization activities with minimal impact on the ability of the site to isolate waste, and on tests performed as part of the characterization process. One activity of site characterization is the construction of an Exploratory Studies Facility, for which many design options are being considered, including shafts, drifts, and ramps. The information in this report pertains to: (1) engineering calculations of the potential distribution of residual water from constructing the shafts and drifts; (2) numerical calculations predicting the movement of residual construction water from the shaft and drift walls into the rock; and (3) numerical calculations of the movement of residual water and how the movement is affected by ventilation. This document contains information that has been used in preparing Appendix 1 of the Exploratory Studies Facility Design Requirements document for the Yucca Mountain Project.

  7. An assessment of drinking-water supplies on the Hanford site: an evaluation conducted at a federal nuclear facility in southeastern Washington state.

    PubMed

    Hanf, R William; Kelly, Lynn M

    2005-03-01

    Drinking water is supplied to most U.S. Department of Energy (DOE) facilities on the Hanford Site by DOE-owned, contractor-operated pumping and distribution systems. Water is primarily obtained from the Columbia River, but some facilities use water from on-site groundwater wells. Because of the large amount of radioactive and chemical waste produced, stored, and disposed of at Hanford, some people are concerned that waste materials are contaminating on-site drinking-water supplies. This paper describes the drinking-water facilities and treatment requirements on the Hanford Site and summarizes radiological and non-radiological water quality data obtained from water samples collected from each drinking-water system in use during 2001 and 2002. Monitoring data show that Hanford-produced radionuclides are measurable in some drinking-water samples. The only non-radiological contaminants detected either were by-products of the chlorination process or came from off-site agricultural activities. Contaminant level values were, in all cases, below state and federal drinking-water limits. This information will provide assurance to current employees and future site developers that drinking water on the Hanford Site is safe for public consumption.

  8. ICR SS protozoan data site-by-site: a picture of Cryptosporidium and Giardia in U.S. surface water.

    PubMed

    Ongerth, Jerry E

    2013-09-17

    The U.S. Environmental Protection Agency (USEPA) Information Collection Rule Supplemental Survey (ICR SS) required analysis of Cryptosporidium and Giardia in 10 L surface water samples twice a week for a year by USEPA Method 1623 at 80 representative U.S. public water systems (PWS). The resulting data are examined site-by-site in relation to objectives of the Federal drinking water regulation, The Long-Term (2) Enhanced Surface Water Treatment Rule (LT2), currently under formal 6-year review by the USEPA. The data describe Cryptosporidium and Giardia in watersheds nation-wide over a single annual cycle. Due to limited recovery efficiency measurement results are not fully quantified. In the required sample volumes of 10 L no Cryptosporidium were found in 86% of samples and no Giardia were found in 67% of samples. Yet, organisms were found in enough samples at 34 of 80 sites to detail a specrtum of occurrence and variability for both organisms. The data are shown to describe indivudual site risk essential for guidance of watershed and water treatment management by PWSs. The span of median occurrence for both organisms was about 2 orders of magnitude above the limit of detection (LD), ca. 0.05 raw no's/L for Cryptosporidium and ca. 0.10 raw no's/L for Giardia. Data analysis illustrates key features of Cryptosporidium and Giardia in surface water: presence is continuous not intermittent; zeros indicate presence below the LD; occurrence level and variations depend on watershed sources; risk depends on both magnitude and variability of concentration; accurate estimation of risk requires routine measurement of recovery efficiency and calculation of concentration. The data and analysis illustrate features of Cryptosporidium and Giardia occurrence in surface water relevant to their effective regulation for public health protection.

  9. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site near Naturita, Colorado

    SciTech Connect

    1995-08-01

    The Uranium Mill Tailings Remedial Action (UMTRA) Project consists of the Surface Project (phase I), and the Ground Water Project (phase II). For the UMTRA Project site located near Naturita, Colorado (the Naturita site), phase I involves the removal of radioactively contaminated soils and materials and their transportation to a disposal site at Union Carbide Corporation`s Upper Burbank Repository at Uravan, Colorado, about 13 road miles (mi) (21 kilometers [km]) to the northwest. No uranium mill tailings are involved because the tailings were removed from the Naturita site and placed at Coke Oven, Colorado, during 1977 to 1979. Phase II of the project will evaluate the nature and extent of ground water contamination resulting from uranium processing and its effect on human health or the environment; and will determine site-specific ground water compliance strategies in accordance with the US Environmental Protection Agency (EPA) ground water standards established for the UMTRA Project. Human health risks could occur from drinking water pumped from a hypothetical well drilled in the contaminated ground water area. Environmental risks may result if plants or animals are exposed to contaminated ground water, or surface water that has received contaminated ground water. Therefore, a risk assessment is conducted for the Naturita site. This risk assessment report is the first site-specific document prepared for the Ground Water Project at the Naturita site. What follows is an evaluation of current and possible future impacts to the public and the environment from exposure to contaminated ground water. The results of this evaluation and further site characterization will be used to determine whether any action is needed to protect human health or the environment.

  10. Optimal Site Characterization and Selection Criteria for Oyster Restoration using Multicolinear Factorial Water Quality Approach

    NASA Astrophysics Data System (ADS)

    Yoon, J.

    2015-12-01

    Elevated levels of nutrient loadings have enriched the Chesapeake Bay estuaries and coastal waters via point and nonpoint sources and the atmosphere. Restoring oyster beds is considered a Best Management Practice (BMP) to improve the water quality as well as provide physical aquatic habitat and a healthier estuarine system. Efforts include declaring sanctuaries for brood-stocks, supplementing hard substrate on the bottom and aiding natural populations with the addition of hatchery-reared and disease-resistant stocks. An economic assessment suggests that restoring the ecological functions will improve water quality, stabilize shorelines, and establish a habitat for breeding grounds that outweighs the value of harvestable oyster production. Parametric factorial models were developed to investigate multicolinearities among in situ water quality and oyster restoration activities to evaluate posterior success rates upon multiple substrates, and physical, chemical, hydrological and biological site characteristics to systematically identify significant factors. Findings were then further utilized to identify the optimal sites for successful oyster restoration augmentable with Total Maximum Daily Loads (TMDLs) and BMPs. Factorial models evaluate the relationship among the dependent variable, oyster biomass, and treatments of temperature, salinity, total suspended solids, E. coli/Enterococci counts, depth, dissolved oxygen, chlorophyll a, nitrogen and phosphorus, and blocks consist of alternative substrates (oyster shells versus riprap, granite, cement, cinder blocks, limestone marl or combinations). Factorial model results were then compared to identify which combination of variables produces the highest posterior biomass of oysters. Developed Factorial model can facilitate maximizing the likelihood of successful oyster reef restoration in an effort to establish a healthier ecosystem and to improve overall estuarine water quality in the Chesapeake Bay estuaries.

  11. Baseline risk assessment of ground water contamination at the uranium mill tailings site near Lakeview, Oregon. Revision 1

    SciTech Connect

    1995-12-01

    Surface cleanup at the Uranium Mill Tailings Remedial Action (UMTRA) Project site near Lakeview, Oregon was completed in 1989. The Ground Water Project evaluates the nature and extent of ground water contamination that resulted from the uranium ore processing activities. The Ground Water Project is in its beginning stages. Human health may be at risk from exposure to ground water contaminated by uranium ore processing. Exposure could occur by drinking water pumped out of a hypothetical well drilled in the contaminated areas. Ecological risks to plants or animals may result from exposure to surface water and sediment that have received contaminated ground water. A risk assessment describes a source of contamination, how that contamination reaches people and the environment, the amount of contamination to which people or the ecological environment may be exposed, and the health or ecological effects that could result from that exposure. This risk assessment is a site-specific document that will be used to evaluate current and potential future impacts to the public and the environment from exposure to contaminated ground water. The results of this evaluation and further site characterization will determine whether any action is needed to protect human health or the ecological environment.

  12. SITE CHARACTERIZATION TO SUPPORT DEVELOPMENT OF CONCEPTUAL SITE MODELS AND TRANSPORT MODELS FOR MONITORING CONTAMINANTS IN GROUND WATER

    EPA Science Inventory

    The development of conceptual and predictive models is an important tool to guide site characterization in support of monitoring contaminants in ground water. The accuracy of predictive models is limited by the adequacy of the input data and the assumptions made to constrain mod...

  13. Water Efficiency Improvements At Various Environmental Protection Agency Sites

    SciTech Connect

    2011-03-24

    The U.S. Environmental Protection Agency (EPA) built a successful water conservation program and reduced potable water use through a series of initiatives at EPA laboratories. The projects highlighted in this case study demonstrate EPA’s ability to reduce water use in laboratory and medical equipment by implementing vacuum pump and steam sterilizer replacements and retrofits. Due to the success of the initial vacuum pump and steam sterilizer projects described here, EPA is implementing similar projects at several laboratories throughout the nation.

  14. A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.

    PubMed

    Immormino, Robert M; Silversmith, Ruth E; Bourret, Robert B

    2016-10-04

    Two-component regulatory systems, minimally composed of a sensor kinase and a response regulator protein, are common mediators of signal transduction in microorganisms. All response regulators contain a receiver domain with conserved active site residues that catalyze the signal activating and deactivating phosphorylation and dephosphorylation reactions. We explored the impact of variable active site position T+1 (one residue C-terminal to the conserved Thr/Ser) on reaction kinetics and signaling fidelity, using wild type and mutant Escherichia coli CheY, CheB, and NarL to represent the three major sequence classes observed across response regulators: Ala/Gly, Ser/Thr, and Val/Ile/Met, respectively, at T+1. Biochemical and structural data together suggested that different amino acids at T+1 impacted reaction kinetics by altering access to the active site while not perturbing overall protein structure. A given amino acid at position T+1 had similar effects on autodephosphorylation in each protein background tested, likely by modulating access of the attacking water molecule to the active site. Similarly, rate constants for CheY autophosphorylation with three different small molecule phosphodonors were consistent with the steric constraints on access to the phosphorylation site arising from combination of specific phosphodonors with particular amino acids at T+1. Because other variable active site residues also influence response regulator phosphorylation biochemistry, we began to explore how context (here, the amino acid at T+2) affected the influence of position T+1 on CheY autocatalytic reactions. Finally, position T+1 affected the fidelity and kinetics of phosphotransfer between sensor kinases and response regulators but was not a primary determinant of their interaction.

  15. Site Characterization for MNA of Radionuclides in Ground Water

    EPA Science Inventory

    Monitored natural attenuation is often evaluated as a component of the remedy for ground water contaminated with radionuclides. When properly employed, monitored natural attenuation (MNA) may provide an effective knowledge-based remedy where a thorough engineering analysis inform...

  16. Current activities handbook: formerly utilized sites remedial action program

    SciTech Connect

    1981-02-27

    This volume is one of a series produced under contract with the DOE, by Politech Corporation to develop a legislative and regulatory data base to assist the FUSRAP management in addressing the institutional and socioeconomic issues involved in carrying out the Formerly Utilized Sites Remedial Action Program. This Information Handbook series contains information about all relevant government agencies at the Federal and state levels, the pertinent programs they administer, each affected state legislature, and current Federal and state legislative and regulatory initiatives. This volume is a compilation of information about the activities each of the thirteen state legislatures potentially affected by the Formerly Utilized Sites Remedial Action Program. It contains a description of the state legislative procedural rules and a schedule of each legislative session; a summary of pending relevant legislation; the name and telephone number of legislative and state agency contacts; and the full text of all bills identified.

  17. Vitamin K epoxide reductase: homology, active site and catalytic mechanism.

    PubMed

    Goodstadt, Leo; Ponting, Chris P

    2004-06-01

    Vitamin K epoxide reductase (VKOR) recycles reduced vitamin K, which is used subsequently as a co-factor in the gamma-carboxylation of glutamic acid residues in blood coagulation enzymes. VKORC1, a subunit of the VKOR complex, has recently been shown to possess this activity. Here, we show that VKORC1 is a member of a large family of predicted enzymes that are present in vertebrates, Drosophila, plants, bacteria and archaea. Four cysteine residues and one residue, which is either serine or threonine, are identified as likely active-site residues. In some plant and bacterial homologues the VKORC1 homologous domain is fused with domains of the thioredoxin family of oxidoreductases. These might reduce disulfide bonds of VKORC1-like enzymes as a prerequisite for their catalytic activities.

  18. Structure and Reactivity of the Phosphotriesterase Active Site

    DTIC Science & Technology

    2002-01-01

    characterize different catalytic conformations for chorismate mutase . Preliminary evidence for water binding in phosphotriesterase suggests that activity in...MD/QM study of the chorismate mutase catalyzed Claisen rearrangement reaction. 2001.subm. J.Phys.Chem.B 22.Day, P.N.J., J.H.; Gordon,M.S.; Webb,S.P...Claisen rearrangement of an unusual substrate in chorismate mutase . 2001.subm. J.Phys.Chem.B 38.Stevens, W.J., Basch,H., Krauss,M., Compact effective

  19. Potential For Denitrification near Reclaimed Water Application Sites in Orange County, Florida, 2009

    USGS Publications Warehouse

    Byrne, Michael J.; Smith, Richard L.; Repert, Deborah A.

    2012-01-01

    The potential for denitrification was tested in water samples from four Upper Floridan aquifer wells near a reclaimed water application site, in west Orange County Florida, and two adjacent springs. Results of the study indicate that denitrifying bacteria are present in the groundwater and spring water samples, and that these bacteria can readily denitrify the waters when suitable geochemical conditions exist. The acetylene block technique was used to assess nitrous oxide in the samples that was produced by denitrification. The laboratory incubation experiment consisted of four different treatments to each of the six samples: (1) ambient water (no added nitrate or glucose), (2) ambient water amended with 1.4 milligrams per liter (mg/L) nitrate as nitrogen (N), (3) ambient water amended with 5.0 mg/L nitrate as N, and (4) ambient water amended with 5.0 mg/L nitrate as N and 10 mg/L glucose as C6H12O6. A companion set of incubations using treatment 2 tracked changes in nitrate and nitrite concentration with time. The rate of denitrification in treatment 2 ranged from 0.059 to 0.124 milligram per liter per day nitrogen [(mg/L)/d N] and in treatment 3 ranged from 0.071 to 0.226 (mg/L)/d N. At all of the sampling sites, treatment 4 yielded denitrification rates at least an order of magnitude greater than those measured for the other treatments; rates ranged from 2.3 to 4.4 (mg/L)/d N. The electron donor supply, dissolved organic carbon, in the groundwater and springwater is sufficient to remove at least 1.1-1.4 mg/L nitrate as N in 20 to 30 days, as indicated by nitrous oxide production rates under ambient conditions (treatment 1). The even higher nitrate removal observed with addition of supplemental carbon in treatment 4 suggests that carbon is a limiting nutrient in this reaction. Denitrifying activity might explain the low ambient nitrate concentrations in the Upper Floridan aquifer in this area.

  20. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site near Lakeview, Oregon. Revision 2

    SciTech Connect

    1996-03-01

    The U.S. Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project consists of the Surface Project (Phase I) and the Ground Water Project (Phase II). Under the UMTRA Surface Project, tailings, contaminated soil, equipment, and materials associated with the former uranium ore processing at UMTRA Project sites are placed into disposal cells. The cells are designed to reduce radon and other radiation emissions and to minimize further contamination of ground water. Surface cleanup at the UMTRA Project site near Lakeview, Oregon, was completed in 1989. The mill operated from February 1958 to November 1960. The Ground Water Project evaluates the nature and extent of ground water contamination that resulted from the uranium ore processing activities. The Ground Water Project is in its beginning stages. Human health may be at risk from exposure to ground water contaminated by uranium ore processing. Exposure could occur by drinking water pumped out of a hypothetical well drilled in the contaminated areas. Ecological risks to plants or animals may result from exposure to surface water and sediment that have received contaminated ground water. A risk assessment describes a source of contamination, how that contamination reaches people and the environment, the amount of contamination to which people or the ecological environment may be exposed, and the health or ecological effects that could result from that exposure. This risk assessment is a site-specific document that will be used to evaluate current and potential future impacts to the public and the environment from exposure to contaminated ground water. The results of this evaluation and further site characterization will determine whether any action is needed to protect human health or the ecological environment.

  1. Direct Observation of Nanosecond Water Exchange Dynamics at a Protein Metal Site

    PubMed Central

    Stachura, Monika; Chakraborty, Saumen; Gottberg, Alexander; Ruckthong, Leela; Pecoraro, Vincent L.; Hemmingsen, Lars

    2017-01-01

    Nanosecond ligand exchange dynamics at metal sites within proteins is essential in catalysis, metal ion transport, and regulatory metallobiochemistry. Herein we present direct observation of the exchange dynamics of water at a Cd2+ binding site within two de novo designed metalloprotein constructs using 111mCd perturbed angular correlation (PAC) of γ-rays and 113Cd NMR spectroscopy. The residence time of the Cd2+-bound water molecule is tens of nanoseconds at 20 °C in both proteins. This constitutes the first direct experimental observation of the residence time of Cd2+ coordinated water in any system, including the simple aqua ion. A Leu to Ala amino acid substitution ~10 Å from the Cd2+ site affects both the equilibrium constant and the residence time of water, while, surprisingly, the metal site structure, as probed by PAC spectroscopy, remains essentially unaltered. This implies that remote mutations may affect metal site dynamics, even when structure is conserved. PMID:27973778

  2. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site near Riverton, Wyoming

    SciTech Connect

    Not Available

    1994-09-01

    This Risk Assessment evaluated potential impacts to public health or the environment caused by ground water contamination at the former uranium mill processing site. In the first phase of the U.S. Department of Energy`s Uranium Mill Tailings Remedial Action (UMTRA) Project, the tailing and other contaminated material at this site were placed in a disposal cell near the Gas Hills Plant in 1990. The second phase of the UMTRA Project is to evaluate ground water contamination. This risk assessment is the first site-specific document to evaluate potential health and environmental risks for the Riverton site under the Ground Water Project; it will help determine whether remedial actions are needed for contaminated ground water at the site.

  3. Post-Remediation Biomonitoring of Pesticides in Marine Waters Near the United Heckathorn Site, Richmond, California

    SciTech Connect

    Antrim, Liam D.; Kohn, Nancy P.

    2000-09-05

    Marine sediment remediation at the United Heckathorn Superfund Site was completed in April 1997. Water and mussel tissues were sampled in January 1998 from four stations near Lauritzen Canal in Richmond, California, for the first post-remediation monitoring of marine areas near the United Heckathorn Site. Dieldrin and DDT were analyzed in water samples, tissue samples from resident mussels, and tissue samples from transplanted mussels deployed for 4 months. Concentrations of dieldrin and total DDT in water and total DDT in tissue were compared to pre-remediation data available from the California State Mussel Watch program (tissues) and the Ecological Risk Assessment for the United Heckathorn Superfund Site (tissues and water). Biomonitoring results indicated that pesticides were still bioavailable in the water column, and have not been reduced from pre-remediation levels. Annual biomonitoring will continue to assess the effectiveness of remedial actions at the United Heckathorn Site.

  4. Neutron Activation Analysis of Water - A Review

    NASA Technical Reports Server (NTRS)

    Buchanan, John D.

    1971-01-01

    Recent developments in this field are emphasized. After a brief review of basic principles, topics discussed include sources of neutrons, pre-irradiation physical and chemical treatment of samples, neutron capture and gamma-ray analysis, and selected applications. Applications of neutron activation analysis of water have increased rapidly within the last few years and may be expected to increase in the future.

  5. Soil and Water Conservation Activities for Scouts.

    ERIC Educational Resources Information Center

    Soil Conservation Service (USDA), Washington, DC.

    The purpose of the learning activities outlined in this booklet is to help Scouts understand some conservation principles which hopefully will lead to the development of an attitude of concern for the environment and a commitment to help with the task of using and managing soil, water, and other natural resources for long range needs as well as…

  6. Probing Oxygen Activation Sites in Two Flavoprotein Oxidases Using Chloride as an Oxygen Surrogate

    SciTech Connect

    Kommoju, Phaneeswara-Rao; Chen, Zhi-wei; Bruckner, Robert C.; Mathews, F. Scott; Jorns, Marilyn Schuman

    2011-08-16

    A single basic residue above the si-face of the flavin ring is the site of oxygen activation in glucose oxidase (GOX) (His516) and monomeric sarcosine oxidase (MSOX) (Lys265). Crystal structures of both flavoenzymes exhibit a small pocket at the oxygen activation site that might provide a preorganized binding site for superoxide anion, an obligatory intermediate in the two-electron reduction of oxygen. Chloride binds at these polar oxygen activation sites, as judged by solution and structural studies. First, chloride forms spectrally detectable complexes with GOX and MSOX. The protonated form of His516 is required for tight binding of chloride to oxidized GOX and for rapid reaction of reduced GOX with oxygen. Formation of a binary MSOX-chloride complex requires Lys265 and is not observed with Lys265Met. Binding of chloride to MSOX does not affect the binding of a sarcosine analogue (MTA, methylthioactetate) above the re-face of the flavin ring. Definitive evidence is provided by crystal structures determined for a binary MSOX-chloride complex and a ternary MSOX-chloride-MTA complex. Chloride binds in the small pocket at a position otherwise occupied by a water molecule and forms hydrogen bonds to four ligands that are arranged in approximate tetrahedral geometry: Lys265:NZ, Arg49:NH1, and two water molecules, one of which is hydrogen bonded to FAD:N5. The results show that chloride (i) acts as an oxygen surrogate, (ii) is an effective probe of polar oxygen activation sites, and (iii) provides a valuable complementary tool to the xenon gas method that is used to map nonpolar oxygen-binding cavities.

  7. Identification of covalent active site inhibitors of dengue virus protease

    PubMed Central

    Koh-Stenta, Xiaoying; Joy, Joma; Wang, Si Fang; Kwek, Perlyn Zekui; Wee, John Liang Kuan; Wan, Kah Fei; Gayen, Shovanlal; Chen, Angela Shuyi; Kang, CongBao; Lee, May Ann; Poulsen, Anders; Vasudevan, Subhash G; Hill, Jeffrey; Nacro, Kassoum

    2015-01-01

    Dengue virus (DENV) protease is an attractive target for drug development; however, no compounds have reached clinical development to date. In this study, we utilized a potent West Nile virus protease inhibitor of the pyrazole ester derivative class as a chemical starting point for DENV protease drug development. Compound potency and selectivity for DENV protease were improved through structure-guided small molecule optimization, and protease-inhibitor binding interactions were validated biophysically using nuclear magnetic resonance. Our work strongly suggests that this class of compounds inhibits flavivirus protease through targeted covalent modification of active site serine, contrary to an allosteric binding mechanism as previously described. PMID:26677315

  8. Water-resources activities in New England, fiscal year 1993

    USGS Publications Warehouse

    Orlando, M.F.

    1994-01-01

    The U.S. Geological Survey has 82 active or complete-except-report projects of hydrologic investigations ongoing within the New England Program Area. Of this total, 23 are data projects. Data projects contain statistics and data on the conditions of surface water, ground water, water quality and (or) water use for the study area. There currently are six data projects in Connecticut, five in Maine, four in Massachusetts, four in Rhode Island, and four in New Hampshire and Vermont. The remaining 59 of these projects are interpretive projects. Interpretive projects include research, aerial appraisal, and other hydrologic studies and include projects as diverse as (1) determining the direction of ground-water flow at a toxic site, (2) predicting the effect of acid rain on water quality of a reservoir, and (3) estimating yields of aquifers on Cape Cod. Of the interpretive projects, 26 are in Massachusetts, 17 in Connecticut, 17 are in New Hampshire and Vermont, 6 are in Maine, and 3 in Rhode Island. The report is compiled from project descriptions for fiscal year 1993. It briefly describes the water-resources activities and projects that were active in each District of the USGS, Water Resources Division, New England Program Area of September 30, 1993. Cooperator or funding source, problem statements, objectives, approaches, progress, and plans for next year are described for each project. The project area is located on a map of the appropriate State(s). The report contains a bibliography, by District and by author, of reports completed since 1977.

  9. Transfer hydrogenation over sodium-modified ceria: Enrichment of redox sites active for alcohol dehydrogenation

    DOE PAGES

    Nelson, Nicholas C.; Boote, Brett W.; Naik, Pranjali; ...

    2017-01-17

    Ceria (CeO2) and sodium-modified ceria (Ce-Na) were prepared through combustion synthesis. Palladium was deposited onto the supports (Pd/CeO2 and Pd/Ce-Na) and their activity for the aqueous-phase transfer hydrogenation of phenol using 2-propanol under liquid flow conditions was studied. Pd/Ce-Na showed a marked increase (6×) in transfer hydrogenation activity over Pd/CeO2. Material characterization indicated that water-stable sodium species were not doped into the ceria lattice, but rather existed as subsurface carbonates. Modification of ceria by sodium provided more adsorption and redox active sites (i.e. defects) for 2-propanol dehydrogenation. This effect was an intrinsic property of the Ce-Na support and independent ofmore » Pd. The redox sites active for 2-propanol dehydrogenation were thermodynamically equivalent on both supports/catalysts. At high phenol concentrations, the reaction was limited by 2-propanol adsorption. Furthermore, the difference in catalytic activity was attributed to the different numbers of 2-propanol adsorption and redox active sites on each catalyst.« less

  10. Investigation of CTBT OSI Radionuclide Techniques at the DILUTED WATERS Nuclear Test Site

    SciTech Connect

    Baciak, James E.; Milbrath, Brian D.; Detwiler, Rebecca S.; Kirkham, Randy R.; Keillor, Martin E.; Lepel, Elwood A.; Seifert, Allen; Emer, Dudley; Floyd, Michael

    2012-11-01

    Under the Comprehensive Nuclear-Test-Ban Treaty (CTBT), a verification regime that includes the ability to conduct an On-Site Inspection (OSI) will be established. The Treaty allows for an OSI to include many techniques, including the radionuclide techniques of gamma radiation surveying and spectrometry and environmental sampling and analysis. Such radioactivity detection techniques can provide the “smoking gun” evidence that a nuclear test has occurred through the detection and quantification of indicative recent fission products. An OSI faces restrictions in time and manpower, as dictated by the Treaty; not to mention possible logistics difficulties due to the location and climate of the suspected explosion site. It is thus necessary to have a good understanding of the possible source term an OSI will encounter and the proper techniques that will be necessary for an effective OSI regime. One of the challenges during an OSI is to locate radioactive debris that has escaped an underground nuclear explosion (UNE) and settled on the surface near and downwind of ground zero. To support the understanding and selection of sampling and survey techniques for use in an OSI, we are currently designing an experiment, the Particulate Release Experiment (PRex), to simulate a small-scale vent from an underground nuclear explosion. PRex will occur at the Nevada National Security Site (NNSS). The project is conducted under the National Center for Nuclear Security (NCNS) funded by the National Nuclear Security Agency (NNSA). Prior to the release experiment, scheduled for Spring of 2013, the project scheduled a number of activities at the NNSS to prepare for the release experiment as well as to utilize the nuclear testing past of the NNSS for the development of OSI techniques for CTBT. One such activity—the focus of this report—was a survey and sampling campaign at the site of an old UNE that vented: DILUTED WATERS. Activities at DILUTED WATERS included vehicle-based survey

  11. Studying water budget of paved urban sites using weighable lysimeters

    NASA Astrophysics Data System (ADS)

    Rim, Yong-Nam; Nehls, Thomas; Litz, Norbert; Trinks, Steffen; Wessolek, Gerd

    2010-05-01

    Our lysimeter study addresses high-resolution analysis of the water balance of permeable pavements used for sidewalks and streets. Berlin's typical pavers, "Bernburg cobble stone" and "concrete paver" are analysed for actual evaporation, runoff and groundwater recharge. To achieve the reasonable boundary condition realistic seam material were bed in surface construction. The lysimeter bodies, filled with construction sand, stand in 1.5 m deep stainless cave on a scale with a 100g/sec resolution. The seepage water is captured by four suction plates with a suction of 63 hPa. To measure the run-off separately, special gutters are set up directly along the surface edge. This gutter leads the run-off water immediately to a separate discharge pipe and the run-off will be measured with a resolution of 0.0005 mm/sec; no water gets lost within this procedure. A dynamic runoff coefficient could be gained for a span of typical rainfall intensities. We will present runoff coefficients (RC) from both pavements as functions of the rainfall intensity, based on about 40 individual precipitation events. We could show that the rainfall intensity is the best predictor for the runoff behaviour. Concrete pavers can cause runoff with higher RC at lower intensity. However, for intensities > 0.1 mm/min their RCs tend to increase slower than those of mosaic cobble stone pavements. RCs might not be dependent on pavements during strong precipitation events. The measured RC are typical for the rainfall characteristic of Berlin, Germany and should not be used for other climate regions. First, the controlling variable must be identified and incorporated into process based models. Such models are essential for the prediction of urban evaporation so as to develop new urban water and climate management strategies.

  12. A facile reflux procedure to increase active surface sites form highly active and durable supported palladium@platinum bimetallic nanodendrites

    NASA Astrophysics Data System (ADS)

    Wang, Qin; Li, Yingjun; Liu, Baocang; Xu, Guangran; Zhang, Geng; Zhao, Qi; Zhang, Jun

    2015-11-01

    A series of well-dispersed bimetallic Pd@Pt nanodendrites uniformly supported on XC-72 carbon black are fabricated by using different capping agents. These capping agents are essential for the branched morphology control. However, the surfactant adsorbed on the nanodendrites surface blocks the access of reactant molecules to the active surface sites, and the catalytic activities of these bimetallic nanodendrites are significantly restricted. Herein, a facile reflux procedure to effectively remove the capping agent molecules without significantly affecting their sizes is reported for activating supported nanocatalysts. More significantly, the structure and morphology of the nanodendrites can also be retained, enhancing the numbers of active surface sites, catalytic activity and stability toward methanol and ethanol electro-oxidation reactions. The as-obtained hot water reflux-treated Pd@Pt/C catalyst manifests superior catalytic activity and stability both in terms of surface and mass specific activities, as compared to the untreated catalysts and the commercial Pt/C and Pd/C catalysts. We anticipate that this effective and facile removal method has more general applicability to highly active nanocatalysts prepared with various surfactants, and should lead to improvements in environmental protection and energy production.

  13. Active-site modifications of adenylation domains lead to hydrolysis of upstream nonribosomal peptidyl thioester intermediates.

    PubMed

    Uguru, Gabriel C; Milne, Claire; Borg, Matthew; Flett, Fiona; Smith, Colin P; Micklefield, Jason

    2004-04-28

    Site-directed mutagenesis of nonribosomal peptide synthetase (NRPS) adenylation (A) domains was investigated as a means to engineer new calcium-dependent antibiotics (CDA) in Streptomyces coelicolor. Single- and double-point mutants of the CDA NRPS module 7, A-domain were generated, which were predicted to alter the specificity of this domain from Asp to Asn. The double-point mutant produced a new peptide CDA2a-7N containing Asn at position 7 as expected. However, in both the single- and the double-point mutants, significant hydrolysis of the CDA-6mer intermediate was evident. One explanation for this is that the mutant module 7 A-domain activates Asn instead of Asp; however, the Asn-thioester intermediate is only weakly recognized by the upstream C-domain acceptor site (a), allowing a water molecule to intercept the hexapeptidyl intermediate in the donor site (d).

  14. Target-classification approach applied to active UXO sites

    NASA Astrophysics Data System (ADS)

    Shubitidze, F.; Fernández, J. P.; Shamatava, Irma; Barrowes, B. E.; O'Neill, K.

    2013-06-01

    This study is designed to illustrate the discrimination performance at two UXO active sites (Oklahoma's Fort Sill and the Massachusetts Military Reservation) of a set of advanced electromagnetic induction (EMI) inversion/discrimination models which include the orthonormalized volume magnetic source (ONVMS), joint diagonalization (JD), and differential evolution (DE) approaches and whose power and flexibility greatly exceed those of the simple dipole model. The Fort Sill site is highly contaminated by a mix of the following types of munitions: 37-mm target practice tracers, 60-mm illumination mortars, 75-mm and 4.5'' projectiles, 3.5'', 2.36'', and LAAW rockets, antitank mine fuzes with and without hex nuts, practice MK2 and M67 grenades, 2.5'' ballistic windshields, M2A1-mines with/without bases, M19-14 time fuzes, and 40-mm practice grenades with/without cartridges. The site at the MMR site contains targets of yet different sizes. In this work we apply our models to EMI data collected using the MetalMapper (MM) and 2 × 2 TEMTADS sensors. The data for each anomaly are inverted to extract estimates of the extrinsic and intrinsic parameters associated with each buried target. (The latter include the total volume magnetic source or NVMS, which relates to size, shape, and material properties; the former includes location, depth, and orientation). The estimated intrinsic parameters are then used for classification performed via library matching and the use of statistical classification algorithms; this process yielded prioritized dig-lists that were submitted to the Institute for Defense Analyses (IDA) for independent scoring. The models' classification performance is illustrated and assessed based on these independent evaluations.

  15. Active site structure and catalytic mechanism of phosphodiesterase for degradation of intracellular second messengers

    NASA Astrophysics Data System (ADS)

    Zhan, Chang-Guo

    2002-03-01

    Phosphodiesterases are clinical targets for a variety of biological disorders, because this superfamily of enzymes regulate intracellular concentration of cyclic nucleotides that serve as the second messengers playing a critical role in a variety of physiological processes. Understanding structure and mechanism of a phosphodiesterase will provide a solid basis for rational design of the more efficient therapeutics. Although a three-dimensional X-ray crystal structure of the catalytic domain of human phosphodiesterase 4B2B was recently reported, it was uncertain whether a critical bridging ligand in the active site is a water molecule or a hydroxide ion. The identity of this bridging ligand has been determined by performing first-principles quantum chemical calculations on models of the active site. All the results obtained indicate that this critical bridging ligand in the active site of the reported X-ray crystal structure is a hydroxide ion, rather than a water molecule, expected to serve as the nucleophile to initialize the catalytic degradation of the intracellular second messengers.

  16. Identification of Phosphorylation Sites Altering Pollen Soluble Inorganic Pyrophosphatase Activity.

    PubMed

    Eaves, Deborah J; Haque, Tamanna; Tudor, Richard L; Barron, Yoshimi; Zampronio, Cleidiane G; Cotton, Nicholas P J; de Graaf, Barend H J; White, Scott A; Cooper, Helen J; Franklin, F Christopher H; Harper, Jeffery F; Franklin-Tong, Vernonica E

    2017-03-01

    Protein phosphorylation regulates numerous cellular processes. Identifying the substrates and protein kinases involved is vital to understand how these important posttranslational modifications modulate biological function in eukaryotic cells. Pyrophosphatases catalyze the hydrolysis of inorganic phosphate (PPi) to inorganic phosphate Pi, driving biosynthetic reactions; they are essential for low cytosolic inorganic phosphate. It was suggested recently that posttranslational regulation of Family I soluble inorganic pyrophosphatases (sPPases) may affect their activity. We previously demonstrated that two pollen-expressed sPPases, Pr-p26.1a and Pr-p26.1b, from the flowering plant Papaver rhoeas were inhibited by phosphorylation. Despite the potential significance, there is a paucity of data on sPPase phosphorylation and regulation. Here, we used liquid chromatographic tandem mass spectrometry to map phosphorylation sites to the otherwise divergent amino-terminal extensions on these pollen sPPases. Despite the absence of reports in the literature on mapping phosphorylation sites on sPPases, a database survey of various proteomes identified a number of examples, suggesting that phosphorylation may be a more widely used mechanism to regulate these enzymes. Phosphomimetic mutants of Pr-p26.1a/b significantly and differentially reduced PPase activities by up to 2.5-fold at pH 6.8 and 52% in the presence of Ca(2+) and hydrogen peroxide over unmodified proteins. This indicates that phosphoregulation of key sites can inhibit the catalytic responsiveness of these proteins in concert with key intracellular events. As sPPases are essential for many metabolic pathways in eukaryotic cells, our findings identify the phosphorylation of sPPases as a potential master regulatory mechanism that could be used to attenuate metabolism.

  17. Evidence for segmental mobility in the active site of pepsin

    SciTech Connect

    Pohl, J.; Strop, P.; Senn, H.; Foundling, S.; Kostka, V.

    1986-05-01

    The low hydrolytic activity (k/sub cat/ < 0.001 s/sup -1/) of chicken pepsin (CP) towards tri- and tetrapeptides is enhanced at least 100 times by modification of its single sulfhydryl group of Cys-115, with little effect on K/sub m/-values. Modification thus simulates the effect of secondary substrate binding on pepsin catalysis. The rate of Cys-115 modification is substantially decreased in the presence of some competitive inhibitors, suggesting its active site location. Experiments with CP alkylated at Cys-115 with Acrylodan as a fluorescent probe or with N-iodoacetyl-(4-fluoro)-aniline as a /sup 19/F-nmr probe suggest conformation change around Cys-115 to occur on substrate or substrate analog binding. The difference /sup 1/H-nmr spectra (500 MHz) of unmodified free and inhibitor-complexed CP reveal chemical shifts almost exclusively in the aromatic region. The effects of Cu/sup + +/ on /sup 19/F- and /sup 1/H-nmr spectra have been studied. Examination of a computer graphics model of CP based on E. parasitica pepsin-inhibitor complex X-ray coordinates suggests that Cys-115 is located near the S/sub 3//S/sub 5/ binding site. The results are interpreted in favor of segmental mobility of this region important for pepsin substrate binding and catalysis.

  18. Location and site characteristics of the ambient ground-water-quality-monitoring network in West Virginia

    USGS Publications Warehouse

    Kozar, M.D.; Brown, D.P.

    1995-01-01

    Ground-water-quality-monitoring sites have been established in compliance with the 1991 West Virginia "Groundwater Protection Act." One of the provisions of the "Groundwater Protection Act" is to conduct ground-water sampling, data collection, analyses, and evaluation with sufficient frequency so as to ascertain the characteristics and quality of ground water and the sufficiency of the ground- water protection programs established pursuant to the act (Chapter 20 of the code of West Virginia, 1991, Article 5-M). Information for 26 monitoring sites (wells and springs) which comprise the Statewide ambient ground-water-quality-monitoring network is presented. Areas in which monitoring sites were needed were determined by the West Virginia Division of Environmental Protection, Office of Water Resources in consultation with the U.S. Geological Survey (USGS). Initial sites were chosen on the basis of recent hydrogeologic investigations conducted by the USGS and from data stored in the USGS Ground Water Site Inventory database. Land use, aquifer setting, and areal coverage of the State are three of the more important criteria used in site selection. A field reconnaissance was conducted to locate and evaluate the adequacy of selected wells and springs. Descriptive information consisting of site, geologic, well construction, and aquifer-test data has been compiled. The 26 sites will be sampled periodically for iron, manganese, most common ions (for example, calcium, magnesium, sodium, potassium, sulfate, chloride, bicarbonate), volatile and semivolatile organic compounds (for example, pesticides and industrial solvents), and fecal coliform and fecal streptococcus bacteria. Background information explaining ground-water systems and water quality within the State has been included.

  19. MX Siting Investigation. Water Resources Program Progress Report.

    DTIC Science & Technology

    1981-02-13

    NUMBER 4. TITLE (and Subtitle) ,5:,’ - S. TYPE OF REPORT & PERIOD COVERED ,𔃾. -t , ,_o T\\ ,-,A " I Q 6. PERFORMING ORG. REPORT NUMBER .. P#;- I ^- % i-t...APPLICATION 1ACRE FT/YR) SURVEY PERIOD * PERIOD " PROTESTED SITING VALLEYS: ANTELOPE 38D0 12-4-e0 24-81 BIG SAND SPRINGS 0 2076 12-5460 2-6-81 BIG SMOKY 4146 0...shows that all applications filed in Utah have been published in local newspapers, the protest period has closed, and all applications have been

  20. Estimation of precipitable water vapor at GPS sites in Morocco

    NASA Astrophysics Data System (ADS)

    Koulali Idrissi, A.; Ouazar, D.; Bock, O.; Fadil, A.

    2009-12-01

    Knowledge of the distribution of water vapor in both time and space is essential for understanding weather and global climate change. This study presents the results of precipitable water vapor (PWV) estimates from GPS data for three continuously operating GPS stations in Morocco (Rabat, Tetouan, and Ifrane) for the period 2001 to 2007. The conversion of atmospheric delays to integrated water vapor was carried out using interpolated surface meteorological parameters derived from the global numerical weather model analysis from the National Centers for Environmental Prediction (NCEP). The surface pressure extracted from the NCEP model was compared with observations provided from the synoptic network of the Moroccan Meteorological Agency (DMN). Good agreement was found between the two data sets with a bias of less than 1hPa. We compared the GPS derived PWV with the nearest radiosondes at the Rabat and Tetouan stations. The results show overall good agreement between the two data sets (mean difference < 2.5Kg/m2). The NCEP PWV compared well with GPS observations with a mean difference of less than 2.5 Kg/m2 and a standard deviation of less than 3.5 Kg/m2, confirming the potential of ground based GPS to provide an accurate and continuous description of water vapor field variations. The study showed by means of GPS, radiosondes and both NCEP model, a clear seasonal cycle of PWV with the highest values recorded during June, July, August, and September, peaking at 29 Kg/m2. The highest seasonal modulations seen at the 3 GPS stations were linked to large-scale atmospheric circulation.

  1. A Site-sPecific Agricultural water Requirement and footprint Estimator (SPARE:WATER 1.0)

    NASA Astrophysics Data System (ADS)

    Multsch, S.; Al-Rumaikhani, Y. A.; Frede, H.-G.; Breuer, L.

    2013-07-01

    The agricultural water footprint addresses the quantification of water consumption in agriculture, whereby three types of water to grow crops are considered, namely green water (consumed rainfall), blue water (irrigation from surface or groundwater) and grey water (water needed to dilute pollutants). By considering site-specific properties when calculating the crop water footprint, this methodology can be used to support decision making in the agricultural sector on local to regional scale. We therefore developed the spatial decision support system SPARE:WATER that allows us to quantify green, blue and grey water footprints on regional scale. SPARE:WATER is programmed in VB.NET, with geographic information system functionality implemented by the MapWinGIS library. Water requirements and water footprints are assessed on a grid basis and can then be aggregated for spatial entities such as political boundaries, catchments or irrigation districts. We assume inefficient irrigation methods rather than optimal conditions to account for irrigation methods with efficiencies other than 100%. Furthermore, grey water is defined as the water needed to leach out salt from the rooting zone in order to maintain soil quality, an important management task in irrigation agriculture. Apart from a thorough representation of the modelling concept, we provide a proof of concept where we assess the agricultural water footprint of Saudi Arabia. The entire water footprint is 17.0 km3 yr-1 for 2008, with a blue water dominance of 86%. Using SPARE:WATER we are able to delineate regional hot spots as well as crop types with large water footprints, e.g. sesame or dates. Results differ from previous studies of national-scale resolution, underlining the need for regional estimation of crop water footprints.

  2. Catalase evolved to concentrate H2O2 at its active site.

    PubMed

    Domínguez, Laura; Sosa-Peinado, Alejandro; Hansberg, Wilhelm

    2010-08-01

    Catalase is a homo-tetrameric enzyme that has its heme active site deeply buried inside the protein. Its only substrate, hydrogen peroxide (H2O2), reaches the heme through a 45 A-long channel. Large-subunit catalases, but not small-subunit catalases, have a loop (gate loop) that interrupts the major channel. Two accesses lead to a gate that opens the final section of the channel to the heme; gates from the R-related subunits are interconnected. Using molecular dynamic simulations of the Neurospora crassa catalase-1 tetramer in a box of water (48,600 molecules) or 6M H2O2, it is shown that the number of H2O2 molecules augments at the surface of the protein and in the accesses to the gate and the final section of the channel. Increase in H2O2 is due to the prevalence and distribution of amino acids that have an increased residency for H2O2 (mainly histidine, proline and charged residues), which are localized at the protein surface and the accesses to the gate. In the section of the channel from the heme to the gate, turnover rate of water molecules was faster than for H2O2 and increased residence sites for water and H2O2 were determined. In the presence of H2O2, the exclusion of water molecules from a specific site suggests a mechanism that could contend with the competing activity of water, allowing for catalase high kinetic efficiency.

  3. Dynamics of the Active Sites of Dimeric Seryl tRNA Synthetase from Methanopyrus kandleri.

    PubMed

    Dutta, Saheb; Nandi, Nilashis

    2015-08-27

    reaction center. Synchronously, Arg366 of the β sheet at the base holds the syn oxygen of the attacking carboxylic group so that the attack by the anti oxygen is feasible. This residue also contributes to the reduction of the unfavorable electrostatic potential at the reaction center. Present simulation clearly shows the catalytic role of the residues at reaction center. A precise and stable geometry of hydrogen bonded network develops within the active site, which is essential for the development of an optimum transition state geometry. All loops move away from the platform of active site in the open or adenylate bound state and the network of hydrogen bond disappears. The serine binding site is most rigid among all three subsites. The Ser is held here in a highly organized geometry bound by Zn(2+) and Cys residues. Present simulation further suggests that the helix-turn-helix motif connecting the monomers might have important role in coordinating the functional dynamics of the two active sites. The N-terminal domain is involved in long-range electrostatic interaction and specific hydrogen bond interaction (both direct and water mediated) with tRNA. Overall conformational fluctuation is less in the N terminal compared to the catalytic domain due to the presence of a motif 2 loop, loop f, and serine ordering loop, which change conformation in the later domain during the reaction cycle. The dynamic perspective of the active site of (mk)SerRS with the mobile loop acting as the gate and dynamically silent β sheets performing as the base has similarity with the perception of the active site in various other enzymes.

  4. C-H Activation on Co,O Sites: Isolated Surface Sites versus Molecular Analogs.

    PubMed

    Estes, Deven P; Siddiqi, Georges; Allouche, Florian; Kovtunov, Kirill V; Safonova, Olga V; Trigub, Alexander L; Koptyug, Igor V; Copéret, Christophe

    2016-11-16

    The activation and conversion of hydrocarbons is one of the most important challenges in chemistry. Transition-metal ions (V, Cr, Fe, Co, etc.) isolated on silica surfaces are known to catalyze such processes. The mechanisms of these processes are currently unknown but are thought to involve C-H activation as the rate-determining step. Here, we synthesize well-defined Co(II) ions on a silica surface using a metal siloxide precursor followed by thermal treatment under vacuum at 500 °C. We show that these isolated Co(II) sites are catalysts for a number of hydrocarbon conversion reactions, such as the dehydrogenation of propane, the hydrogenation of propene, and the trimerization of terminal alkynes. We then investigate the mechanisms of these processes using kinetics, kinetic isotope effects, isotopic labeling experiments, parahydrogen induced polarization (PHIP) NMR, and comparison with a molecular analog. The data are consistent with all of these reactions occurring by a common mechanism, involving heterolytic C-H or H-H activation via a 1,2 addition across a Co-O bond.

  5. The Regional Water Table of the Savannah River Site and Related Coverages

    SciTech Connect

    Hiergesell, R.A.

    1999-01-05

    A new regional-scale map of the water table configuration beneath the Savannah River Site and its surrounding area has been developed. This map is regarded as a more accurate representation of this surface than all previous maps.

  6. A Technical Guide to Ground-Water Model Selection at Sites Contaminated with Radioactive Substances

    EPA Pesticide Factsheets

    This report addresses the selection of ground-water flow and contaminant transport models and is intended to be used by hydrogeologists and geoscientists responsible for selecting transport models for use at sites containing radioactive materials.

  7. Molecular Dynamics Simulations of Solvation and Kink Site Formation at the {001} Barite-Water Interface.

    SciTech Connect

    Stack, Andrew G

    2009-09-01

    Solvation and kink site formation on step edges are known to be controlling parameters in crystal growth and dissolution. However, links from classical crystal growth models to specific reactions at the mineral-water interface have remained elusive. Molecular dynamics is used here to examine the water structure on barium surface sites and kink site formation enthalpies for material adsorbed to and removed from the step parallel to the [120] direction on the {001} barite-water interface. The bariums at the interface are shown to be coordinatively unsaturated with respect to water, and it is suggested that this is due to a steric hindrance from the nature of the interface. Kink site detachment energies that include hydration energies are endothermic for barium and exothermic for sulfate. The implications and problems of using these parameters in a crystal growth model are discussed.

  8. Active Sites Environmental Monitoring Program: Program plan. Revision 1

    SciTech Connect

    Ashwood, T.L.; Wickliff, D.S.; Morrissey, C.M.

    1992-02-01

    The Active Sites Environmental Monitoring Program (ASEMP), initiated in 1989, provides early detection and performance monitoring of transuranic (TRU) waste and active low-level waste (LLW) facilities at Oak Ridge National Laboratory (ORNL) in accordance with US Department of Energy (DOE) Order 5820.2A. Active LLW facilities in Solid Waste Storage Area (SWSA) 6 include Tumulus I and Tumulus II, the Interim Waste Management Facility (IWMF), LLW silos, high-range wells, asbestos silos, and fissile wells. The tumulus pads and IWMF are aboveground, high-strength concrete pads on which concrete vaults containing metal boxes of LLW are placed; the void space between the boxes and vaults is filled with grout. Eventually, these pads and vaults will be covered by an engineered multilayered cap. All other LLW facilities in SWSA 6 are below ground. In addition, this plan includes monitoring of the Hillcut Disposal Test Facility (HDTF) in SWSA 6, even though this facility was completed prior to the data of the DOE order. In SWSA 5 North, the TRU facilities include below-grade engineered caves, high-range wells, and unlined trenches. All samples from SWSA 6 are screened for alpha and beta activity, counted for gamma-emitting isotopes, and analyzed for tritium. In addition to these analytes, samples from SWSA 5 North are analyzed for specific transuranic elements.

  9. PV water pumping: NEOS Corporation recent PV water pumping activities

    SciTech Connect

    Lane, C.

    1995-11-01

    NEOS Corporation has been very active in PV-powered water pumping, particularly with respect to electric utilities. Most of the recent activity has been through the Photovoltaic Services Network (PSN). The PSN is an independent, not-for-profit organization comprised of all types of electric utilities: rural electric coops, public power districts, investor-owned utilities, and power marketing agencies. The PSN`s mission is to work pro-actively to promote utility involvement in PV through education and training. PV information is distributed by the PSN in three primary forms: (1) consultation with PSN technical service representatives: (2) literature generated by the PSN; and (3) literature published by other organizations. The PSN can also provide assistance to members in developing PV customer service programs. The PSN`s product support activities include consolidation of information on existing packaged PV systems and facilitation of the development of new PV product packages that meet utility-defined specifications for cost performance, and reliability. The PSN`s initial product support efforts will be focused on commercially available packaged PV systems for a variety of off-grid applications. In parallel with this effort, if no products exist that meet the PSN`s functional specifications, the PSN will initiate the second phase of product development support process by encouraging the development of new packaged systems. Through these services and product support activities, the PSN anticipates engaging all segments for the PV industry, thus providing benefits to PV systems suppliers as well as local PV service contractors.This paper describes field testing of pv power systems for water pumping.

  10. Metal active site elasticity linked to activation of homocysteine in methionine synthases

    SciTech Connect

    Koutmos, Markos; Pejchal, Robert; Bomer, Theresa M.; Matthews, Rowena G.; Smith, Janet L.; Ludwig, Martha L.

    2008-04-02

    Enzymes possessing catalytic zinc centers perform a variety of fundamental processes in nature, including methyl transfer to thiols. Cobalamin-independent (MetE) and cobalamin-dependent (MetH) methionine synthases are two such enzyme families. Although they perform the same net reaction, transfer of a methyl group from methyltetrahydrofolate to homocysteine (Hcy) to form methionine, they display markedly different catalytic strategies, modular organization, and active site zinc centers. Here we report crystal structures of zinc-replete MetE and MetH, both in the presence and absence of Hcy. Structural investigation of the catalytic zinc sites of these two methyltransferases reveals an unexpected inversion of zinc geometry upon binding of Hcy and displacement of an endogenous ligand in both enzymes. In both cases a significant movement of the zinc relative to the protein scaffold accompanies inversion. These structures provide new information on the activation of thiols by zinc-containing enzymes and have led us to propose a paradigm for the mechanism of action of the catalytic zinc sites in these and related methyltransferases. Specifically, zinc is mobile in the active sites of MetE and MetH, and its dynamic nature helps facilitate the active site conformational changes necessary for thiol activation and methyl transfer.

  11. Air-water exchange of PAHs and OPAHs at a superfund mega-site.

    PubMed

    Tidwell, Lane G; Blair Paulik, L; Anderson, Kim A

    2017-03-31

    Chemical fate is a concern at environmentally contaminated sites, but characterizing that fate can be difficult. Identifying and quantifying the movement of chemicals at the air-water interface are important steps in characterizing chemical fate. Superfund sites are often suspected sources of air pollution due to legacy sediment and water contamination. A quantitative assessment of polycyclic aromatic hydrocarbons (PAHs) and oxygenated PAH (OPAHs) diffusive flux in a river system that contains a Superfund Mega-site, and passes through residential, urban and agricultural land, has not been reported before. Here, passive sampling devices (PSDs) were used to measure 60 polycyclic aromatic hydrocarbons (PAHs) and 22 oxygenated PAH (OPAHs) in air and water. From these concentrations the magnitude and direction of contaminant flux between these two compartments was calculated. The magnitude of PAH flux was greater at sites near or within the Superfund Mega-site than outside of the Superfund Mega-site. The largest net individual PAH deposition at a single site was naphthalene at a rate of -14,200 (±5780) (ng/m(2))/day. The estimated one-year total flux of phenanthrene was -7.9×10(5) (ng/m(2))/year. Human health risk associated with inhalation of vapor phase PAHs and dermal exposure to PAHs in water were assessed by calculating benzo[a]pyrene equivalent concentrations. Excess lifetime cancer risk estimates show potential increased risk associated with exposure to PAHs at sites within and in close proximity to the Superfund Mega-site. Specifically, estimated excess lifetime cancer risk associated with dermal exposure and inhalation of PAHs was above 1 in 1 million within the Superfund Mega-site. The predominant depositional flux profile observed in this study suggests that the river water in this Superfund site is largely a sink for airborne PAHs, rather than a source.

  12. Water Quality Monitoring at Dam Neck and Norfolk Disposal Sites.

    DTIC Science & Technology

    1985-02-01

    RSLTO TS HR - AIO AL BR,,.FS"N AP; A,. I~. 0% V/’ Z APPLIED MARINE RESEARCH LABORATORY OLD DOMINION UNIVERSITY 0 NORFOLK, VIRGINIA Z WATER QUALITY...Principal Investigator -tv Final Report LU For the period ending December, 1984 z DTIC Prepared for the ELECTE Department of the Army , MAR 12 1986...Norfolk District, Corps of Engineers 0 Fort Norfolk, 803 Front Street Z C0.;C Norfolk, Virginia 23510 B o -0 LA. Under Contract DACW65-81-C-0051 * Cm

  13. Neutron sensors for locating sites of planetary water deposits

    SciTech Connect

    Feldman, W.C.; Fenimore, E.E.; Byrd, R.C.; Wiens, R.C.

    1998-12-31

    This is the final report of a six-month, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project helped in exploration of the value and feasibility of use of collimated neutron detection methods for improving the sensitivity of neutron spectrometers specifically designed for deep-space missions to detect and identify both present-day deposits of near-surface water ice. The authors believed that this result helped enable a decision to include a Los Alamos-designed neutron sensor as a component of the NASA Mars Global Surveyor-01 Gamma-Ray/Neutron Spectrometer.

  14. Water quality at fixed sites in the Great Salt Lake basins, Utah, Idaho, and Wyoming, water years 1999-2000

    USGS Publications Warehouse

    Gerner, Steven J.

    2003-01-01

    The Great Salt Lake Basins (GRSL) study unit of the National Water-Quality Assessment program encompasses the Bear River, Weber River, and Utah Lake/Jordan River systems, all of which discharge to Great Salt Lake in Utah. Data were collected during each month at 10 sites in the GRSL study unit from October 1998 to September 2000 to define spatial and temporal distribution and variability in concentration of nutrients, major ions, trace elements, suspended sediments, and organic compounds.Water samples collected from rangeland and forest sites in the GRSL study unit generally contained low concentrations of dissolved solids. Median dissolved-solids concentration in water samples was highest at sites with mixed land uses. Dissolved-solids concentration in some parts of the Bear River during low flow exceeded Utah State standards for agricultural use.Total-nitrogen concentration in water samples from GRSL sites ranged from 0.06 to 11 milligrams per liter. Water samples from predominantly forest and rangeland sites generally had a low total-nitrogen concentration. Many samples from sites with a higher percentage of agricultural and urban land cover had higher concentrations of total nitrogen. Fifty percent of the samples collected at GRSL sites had total phosphorus concentrations that exceeded 0.1 milligram per liter, the recommended limit for the prevention of nuisance aquatic-plant growth in streams not discharging directly into lakes or impoundments.Concentration of most trace elements in water samples from the fixed sites generally was low; however, arsenic concentrations, as high as 284 micrograms per liter, sometimes exceeded aquatic-life guidelines. Forty-three pesticides and 35 volatile organic compounds were detected in water samples from three GRSL sites; however, the concentration of most was low, less than 1 microgram per liter. The herbicides atrazine and prometon and the insecticides carbaryl and diazinon were the most frequently detected pesticides

  15. Radiological impact of surface water and sediment near uranium mining sites.

    PubMed

    Ivanova, K; Stojanovska, Z; Badulin, V; Kunovska, B; Yovcheva, M

    2015-12-01

    The aim of this study is to assess the radiological impact of surface water and sediment around uranium mining sites 20 years after their closing. The areas under observations are 31 former classical underground uranium mining and exploratory sites in Bulgaria, named as objects. The extraction and processing of uranium ores in the Republic of Bulgaria were ended in 1992. To assess the radiological impact of radionuclides field expeditions were performed to sample water and bottom sediment. The migration of uranium through surface water was examined as one of the major pathways for contamination spread. The range of uranium concentration in water flowing from the mining sites was from 0.012 to 6.8 mgU l(-1) with a geometric mean of 0.192 mgU l(-1). The uranium concentrations in water downstream the mining sites were approximately 3 times higher than the background value (upstream). The concentrations of Unat, (226)Ra, (210)Pb, and (232)Th in the sediment of downstream river were higher than those upstream by 3.4, 2.6, 2, and 1.7 times, respectively. The distribution coefficient of uranium reflects its high mobility in most of the sites. In order to evaluate the impact on people as well as site prioritization for more detailed assessment and water management, screening dose assessments were done.

  16. Buffer distances for on-site sewage systems in Sydney's drinking water catchments.

    PubMed

    Charles, K; Roser, D; Ashbolt, N; Deere, D; McGuinness, R

    2003-01-01

    Pathogens and nutrients released from on-site sewage systems represent a risk to surface and ground water quality, particularly where there are sensitive receiving waters such as in drinking water catchments. Buffer zones between on-site systems and waterways are one barrier used to protect water quality. The increased time and distance they provide increases the opportunities for the effluent purification functions of the soil to occur. A risk management model is proposed to assess the efficacy of the buffer zones in Sydney's drinking water catchments. The model is the basis for the development of performance based setback distances for on-site systems from waterways, and incorporates stochastic analysis of pathogen and nutrient transport in the environment and consideration of the effluent quality variability from on-site systems. Catchment-scale integration of contaminant transport is employed to facilitate a risk assessment of on-site systems. The risk management model also allows for the impact of on-site system management and maintenance on catchment water quality to be assessed through scenario building and feedback mechanisms.

  17. Effects of effluent spray irrigation on ground water at a test site near Tarpon Springs, Florida

    USGS Publications Warehouse

    Brown, D.P.

    1982-01-01

    Secondary-treated effluent was applied to a 7.2-acre test site near Tarpon Springs, Fla., for about 1 year at an average rate of 0.06 million gallons per day and 3 years at 0.11 million gallons per day. Chemical fertilizer was applied periodically to the test site and adjacent areas. Periodic mounding of the water table occurred due to effluent irrigation, inducing radial flow from the test site. Physical, geochemical, biochemical processes effectively reduced total nitrogen concentration 90% and total phosphorous concentration more than 95% in the ground water of the surficial aquifer about 300 feet downgradient from the test site from that of the applied effluent. Downgradient, total nitrogen averaged 2.4 milligrams per liter and total phosphorus averaged 0.17 milligrams per liter. Substantial increases in total phosphorus were observed when the pH of the ground water increased. Total coliform bacteria in the ground water of the surficial aquifer were generally less than 100 colonies per 100 milliliters. Fecal coliform bacteria were generally less than 25 colonies per 100 milliliters at the test site and were not detected downgradient or near the test site. Fecal streptococcal bacteria were generally less than 100 colonies per 100 milliliters at the test site, but were detected on three occasions near the test site. (USGS)

  18. Simulating Energy, Water and Carbon Fluxes at the Shortgrass Steppe Long Term Ecological Research (LTER) Site

    NASA Astrophysics Data System (ADS)

    Beltran-Przekurat, A. B.; Pielke, R. A.; Morgan, J. A.; Burke, I. C.

    2005-12-01

    Coupled atmospheric-biospheric models are a particularly valuable tool for studying the potential effects of land-use and land-cover changes on the near-surface atmosphere since the atmosphere and biosphere are allowed to dynamically interact through the surface and canopy energy balance. GEMRAMS is a coupled atmospheric-biospheric model comprised of an atmospheric model, RAMS, and an ecophysiological process-based model, GEMTM. In the first part of this study, the soil-vegetation-atmosphere-transfer (SVAT) scheme, LEAF2, from RAMS, coupled with GEMTM, are used to simulate energy, water and carbon fluxes over different cropping systems (winter wheat and irrigated corn) and over a mixed C3/C4 shortgrass prairie located at the USDA-ARS Central Plains Experimental Range near Nunn, Colorado, the LTER Shortgrass Steppe site. The new SVAT scheme, GEMLEAF, is forced with air temperature and humidity, wind speed and photosynthetic active radiation (PAR). Calculated canopy temperature and relative humidity, soil moisture and temperature and PAR are used to compute sunlit/shaded leaf photosynthesis (for C3 and C4 plant types) and respiration. Photosynthate is allocated to leaves, shoots, roots and reproductive organs with variable partition coefficients, which are functions of soil water conditions. As water stress increases, the fraction of photosynthate allocated to root growth increases. Leaf area index (LAI) is estimated from daily leaf biomass growth, using the vegetation-prescribed specific leaf area. Canopy conductance, computed and based on photosynthesis and relative humidity, is used to calculate latent heat flux. Simulated energy and CO2 fluxes are compared to observations collected using Bowen ratio flux towers during two growing seasons. Seasonality of the fluxes reflecting different plant phenologies agrees well with the observed patterns. In the second part of this study, simulations for two clear days are performed with GEMRAMS over a model domain centered at

  19. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Sites near Slick Rock, Colorado. Revision 1

    SciTech Connect

    1995-09-01

    Two UMTRA (Uranium Mill Tailings Remedial Action) Project sites are near Slick Rock, Colorado: the North Continent site and the Union Carbide site. Currently, no one uses the contaminated ground water at either site for domestic or agricultural purposes. However, there may be future land development. This risk assessment evaluates possible future health problems associated with exposure to contaminated ground water. Since some health problems could occur, it is recommended that the contaminated ground water not be used as drinking water.

  20. Hydrochemical characteristics of mine waters from abandoned mining sites in Serbia and their impact on surface water quality.

    PubMed

    Atanacković, Nebojša; Dragišić, Veselin; Stojković, Jana; Papić, Petar; Zivanović, Vladimir

    2013-11-01

    Upon completion of exploration and extraction of mineral resources, many mining sites have been abandoned without previously putting environmental protection measures in place. As a consequence, mine waters originating from such sites are discharged freely into surface water. Regional scale analyses were conducted to determine the hydrochemical characteristics of mine waters from abandoned sites featuring metal (Cu, Pb-Zn, Au, Fe, Sb, Mo, Bi, Hg) deposits, non-metallic minerals (coal, Mg, F, B) and uranium. The study included 80 mine water samples from 59 abandoned mining sites. Their cation composition was dominated by Ca2+, while the most common anions were found to be SO4(2-) and HCO3-. Strong correlations were established between the pH level and metal (Fe, Mn, Zn, Cu) concentrations in the mine waters. Hierarchical cluster analysis was applied to parameters generally indicative of pollution, such as pH, TDS, SO4(2-), Fe total, and As total. Following this approach, mine water samples were grouped into three main clusters and six subclusters, depending on their potential environmental impact. Principal component analysis was used to group together variables that share the same variance. The extracted principal components indicated that sulfide oxidation and weathering of silicate and carbonate rocks were the primary processes, while pH buffering, adsorption and ion exchange were secondary drivers of the chemical composition of the analyzed mine waters. Surface waters, which received the mine waters, were examined. Analysis showed increases of sulfate and metal concentrations and general degradation of surface water quality.

  1. Ionic site imaging in polymer membranes for water filtration applications

    NASA Astrophysics Data System (ADS)

    Rothe, Deborah Ruth

    The morphologies of ionic domains within poly(styrene-co-acrylic acid) (SAA) copolymers and sulfonated biphenyl sulfone (BPS) copolymers neutralized with Cu(II) were investigated using scanning transmission electron microscopy (STEM) and X-ray scattering. The ionic domain size for the SAA copolymers was independent of acid content while the BPS copolymers revealed an increase in ionic aggregate diameter with increasing sulfonate content. STEM imaging revealed large ionic groups in the higher sulfonate-containing polymer. It was the higher sulfonate material which had high water flux but poorer salt rejection properties. Additional analysis of the BPS copolymers with differential scanning calorimetry (DSC) did not show a detectable glass transition temperature (Tg), suggesting a distribution of ionic interactions which tethered polymer chains, restricting their mobility and governed thermal behavior. These results suggest the heterogeneous distribution of large ionic domains within the BPS polymer that may facilitate salt transport through the membrane via overlapping ion rich regions.

  2. Active Site Loop Conformation Regulates Promiscuous Activity in a Lactonase from Geobacillus kaustophilus HTA426

    PubMed Central

    Zhang, Yu; An, Jiao; Yang, Guang-Yu; Bai, Aixi; Zheng, Baisong; Lou, Zhiyong; Wu, Geng; Ye, Wei; Chen, Hai-Feng; Feng, Yan; Manco, Giuseppe

    2015-01-01

    Enzyme promiscuity is a prerequisite for fast divergent evolution of biocatalysts. A phosphotriesterase-like lactonase (PLL) from Geobacillus kaustophilus HTA426 (GkaP) exhibits main lactonase and promiscuous phosphotriesterase activities. To understand its catalytic and evolutionary mechanisms, we investigated a “hot spot” in the active site by saturation mutagenesis as well as X-ray crystallographic analyses. We found that position 99 in the active site was involved in substrate discrimination. One mutant, Y99L, exhibited 11-fold improvement over wild-type in reactivity (kcat/Km) toward the phosphotriesterase substrate ethyl-paraoxon, but showed 15-fold decrease toward the lactonase substrate δ-decanolactone, resulting in a 157-fold inversion of the substrate specificity. Structural analysis of Y99L revealed that the mutation causes a ∼6.6 Å outward shift of adjacent loop 7, which may cause increased flexibility of the active site and facilitate accommodation and/or catalysis of organophosphate substrate. This study provides for the PLL family an example of how the evolutionary route from promiscuity to specificity can derive from very few mutations, which promotes alteration in the conformational adjustment of the active site loops, in turn draws the capacity of substrate binding and activity. PMID:25706379

  3. Characterization of the active site of ADP-ribosyl cyclase.

    PubMed

    Munshi, C; Thiel, D J; Mathews, I I; Aarhus, R; Walseth, T F; Lee, H C

    1999-10-22

    ADP-ribosyl cyclase synthesizes two Ca(2+) messengers by cyclizing NAD to produce cyclic ADP-ribose and exchanging nicotinic acid with the nicotinamide group of NADP to produce nicotinic acid adenine dinucleotide phosphate. Recombinant Aplysia cyclase was expressed in yeast and co-crystallized with a substrate, nicotinamide. x-ray crystallography showed that the nicotinamide was bound in a pocket formed in part by a conserved segment and was near the central cleft of the cyclase. Glu(98), Asn(107) and Trp(140) were within 3.5 A of the bound nicotinamide and appeared to coordinate it. Substituting Glu(98) with either Gln, Gly, Leu, or Asn reduced the cyclase activity by 16-222-fold, depending on the substitution. The mutant N107G exhibited only a 2-fold decrease in activity, while the activity of W140G was essentially eliminated. The base exchange activity of all mutants followed a similar pattern of reduction, suggesting that both reactions occur at the same active site. In addition to NAD, the wild-type cyclase also cyclizes nicotinamide guanine dinucleotide to cyclic GDP-ribose. All mutant enzymes had at least half of the GDP-ribosyl cyclase activity of the wild type, some even 2-3-fold higher, indicating that the three coordinating amino acids are responsible for positioning of the substrate but not absolutely critical for catalysis. To search for the catalytic residues, other amino acids in the binding pocket were mutagenized. E179G was totally devoid of GDP-ribosyl cyclase activity, and both its ADP-ribosyl cyclase and the base exchange activities were reduced by 10,000- and 18,000-fold, respectively. Substituting Glu(179) with either Asn, Leu, Asp, or Gln produced similar inactive enzymes, and so was the conversion of Trp(77) to Gly. However, both E179G and the double mutant E179G/W77G retained NAD-binding ability as shown by photoaffinity labeling with [(32)P]8-azido-NAD. These results indicate that both Glu(179) and Trp(77) are crucial for catalysis and

  4. Water Quality Sampling Locations Along the Shoreline of the Columbia River, Hanford Site, Washington

    SciTech Connect

    Peterson, Robert E.; Patton, Gregory W.

    2009-12-14

    As environmental monitoring evolved on the Hanford Site, several different conventions were used to name or describe location information for various sampling sites along the Hanford Reach of the Columbia River. These methods range from handwritten descriptions in field notebooks to the use of modern electronic surveying equipment, such as Global Positioning System receivers. These diverse methods resulted in inconsistent archiving of analytical results in various electronic databases and published reports because of multiple names being used for the same site and inaccurate position data. This document provides listings of sampling sites that are associated with groundwater and river water sampling. The report identifies names and locations for sites associated with sampling: (a) near-river groundwater using aquifer sampling tubes; (b) riverbank springs and springs areas; (c) pore water collected from riverbed sediment; and (d) Columbia River water. Included in the listings are historical names used for a particular site and the best available geographic coordinates for the site, as of 2009. In an effort to create more consistency in the descriptive names used for water quality sampling sites, a naming convention is proposed in this document. The convention assumes that a unique identifier is assigned to each site that is monitored and that this identifier serves electronic database management requirements. The descriptive name is assigned for the convenience of the subsequent data user. As the historical database is used more intensively, this document may be revised as a consequence of discovering potential errors and also because of a need to gain consensus on the proposed naming convention for some water quality monitoring sites.

  5. Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model

    SciTech Connect

    P. Tucci

    2001-12-20

    This Analysis/Model Report (AMR) documents an updated analysis of water-level data performed to provide the saturated-zone, site-scale flow and transport model (CRWMS M&O 2000) with the configuration of the potentiometric surface, target water-level data, and hydraulic gradients for model calibration. The previous analysis was presented in ANL-NBS-HS-000034, Rev 00 ICN 01, Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model (USGS 2001). This analysis is designed to use updated water-level data as the basis for estimating water-level altitudes and the potentiometric surface in the SZ site-scale flow and transport model domain. The objectives of this revision are to develop computer files containing (1) water-level data within the model area (DTN: GS010908312332.002), (2) a table of known vertical head differences (DTN: GS0109083 12332.003), and (3) a potentiometric-surface map (DTN: GS010608312332.001) using an alternate concept from that presented in ANL-NBS-HS-000034, Rev 00 ICN 01 for the area north of Yucca Mountain. The updated water-level data include data obtained from the Nye County Early Warning Drilling Program (EWDP) and data from borehole USW WT-24. In addition to being utilized by the SZ site-scale flow and transport model, the water-level data and potentiometric-surface map contained within this report will be available to other government agencies and water users for ground-water management purposes. The potentiometric surface defines an upper boundary of the site-scale flow model, as well as provides information useful to estimation of the magnitude and direction of lateral ground-water flow within the flow system. Therefore, the analysis documented in this revision is important to SZ flow and transport calculations in support of total system performance assessment.

  6. The water network in galectin-3 ligand binding site guides inhibitor design.

    PubMed

    Su, Jiyong; Zhang, Tao; Wang, Peiqi; Liu, Fengjian; Tai, Guihua; Zhou, Yifa

    2015-03-01

    Galectin-3 (Gal-3) which shows affinity of β-galactosides is a cancer-related protein. Thus, it is important to understand its ligand binding mechanism and then design its specific inhibitor. It was suggested that the positions of water molecules in Gal-3 ligand-binding site could be replaced by appropriate chemical groups of ideal inhibitors. However, the reported structures of Gal-3 carbohydrate recognition domain (CRD) complexed with lactose showed that the number of water molecules are different and the water positions are inconsistent in the ligand-binding site. This study reported four high-resolution (1.24-1.19 Å) structures of Gal-3 CRD complexed with lactose, and accurately located 12 conserved water molecules in the water network of Gal-3 CRD ligand-binding site by merging these structures. These water molecules either directly stabilize the binding of Gal-3 CRD and lactose, or hold the former water molecules at the right place. In particular, water molecule 4 (W4) which only coordinates with water molecule 5 (W5) and water molecule 6 (W6) plays a key role in stabilizing galactose residue. In addition, by three-dimensional alignment of the positions of all residues, 14 flexible parts of Gal-3 CRD were found to dynamically fluctuate in the crystalline environment.

  7. How Force Might Activate Talin's Vinculin Binding Sites: SMD Reveals a Structural Mechanism

    PubMed Central

    Hytönen, Vesa P; Vogel, Viola

    2008-01-01

    Upon cell adhesion, talin physically couples the cytoskeleton via integrins to the extracellular matrix, and subsequent vinculin recruitment is enhanced by locally applied tensile force. Since the vinculin binding (VB) sites are buried in the talin rod under equilibrium conditions, the structural mechanism of how vinculin binding to talin is force-activated remains unknown. Taken together with experimental data, a biphasic vinculin binding model, as derived from steered molecular dynamics, provides high resolution structural insights how tensile mechanical force applied to the talin rod fragment (residues 486–889 constituting helices H1–H12) might activate the VB sites. Fragmentation of the rod into three helix subbundles is prerequisite to the sequential exposure of VB helices to water. Finally, unfolding of a VB helix into a completely stretched polypeptide might inhibit further binding of vinculin. The first events in fracturing the H1–H12 rods of talin1 and talin2 in subbundles are similar. The proposed force-activated α-helix swapping mechanism by which vinculin binding sites in talin rods are exposed works distinctly different from that of other force-activated bonds, including catch bonds. PMID:18282082

  8. Structure-based drug design: exploring the proper filling of apolar pockets at enzyme active sites.

    PubMed

    Zürcher, Martina; Diederich, François

    2008-06-20

    The proper filling of apolar pockets at enzyme active sites is central for increasing binding activity and selectivity of hits and leads in medicinal chemistry. In our structure-based design approach toward the generation of potent enzyme inhibitors, we encountered a variety of challenges in gaining suitable binding affinity from the occupation of such pockets. We summarize them here for the first time. A fluorine scan of tricyclic thrombin inhibitors led to the discovery of favorable orthogonal dipolar C-F...CO interactions. Efficient cation-pi interactions were established in the S4 pocket of factor Xa, another serine protease from the blood coagulation cascade. Changing from mono- to bisubstrate inhibitors of catechol O-methyltransferase, a target in the L-Dopa-based treatment of Parkinson's disease, enabled the full exploitation of a previously unexplored hydrophobic pocket. Conformational preorganization of a pocket at an enzyme active site is crucial for harvesting binding affinity. This is demonstrated for two enzymes from the nonmevalonate pathway of isoprenoid biosynthesis, IspE and IspF, which are pursued as antimalarial targets. Disrupting crystallographically defined water networks on the way into a pocket might cost all of the binding free enthalpy gained from its occupation, as revealed in studies with tRNA-guanine transglycosylase, a target against shigellosis. Investigations of the active site of plasmepsin II, another antimalarial target, showed that principles for proper apolar cavity filling, originally developed for synthetic host-guest systems, are also applicable to enzyme environments.

  9. Pathogen Treatment Guidance and Monitoring Approaches fro On-Site Non-Potable Water Reuse

    EPA Science Inventory

    On-site non-potable water reuse is increasingly used to augment water supplies, but traditional fecal indicator approaches for defining and monitoring exposure risks are limited when applied to these decentralized options. This session emphasizes risk-based modeling to define pat...

  10. 25. Site plan by New Haven Water Company, c.1900 Photocopied ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    25. Site plan by New Haven Water Company, c.1900 Photocopied from property map, Mill River Division, Sheet 51, Map Collection, Armory Street Filtration Plant, New Haven Water Company, Hamden, Connecticut. - Eli Whitney Armory, West of Whitney Avenue, Armory Street Vicinity, Hamden, New Haven County, CT

  11. Water-Surface Elevations, Discharge, and Water-Quality Data for Selected Sites in the Warm Springs Area near Moapa, Nevada

    USGS Publications Warehouse

    Beck, David A.; Ryan, Roslyn; Veley, Ronald J.; Harper, Donald P.; Tanko, Daron J.

    2006-01-01

    The U.S. Geological Survey, in cooperation with Southern Nevada Water Authority and the Nevada Division of Water Resources, operates and maintains a surface-water monitoring network of 6 continuous-record stream-flow gaging stations and 11 partial-record stations in the Warm Springs area near Moapa, Nevada. Permanent land-surface bench marks were installed within the Warm Springs area by the Las Vegas Valley Water District, the Southern Nevada Water Authority, and the U.S. Geological Survey to determine water-surface elevations at all network monitoring sites. Vertical datum elevation and horizontal coordinates were established for all bench marks through a series of Differential Global Positioning System surveys. Optical theodolite surveys were made to transfer Differential Global Positioning System vertical datums to reference marks installed at each monitoring site. The surveys were completed in June 2004 and water-surface elevations were measured on August 17, 2004. Water-surface elevations ranged from 1,810.33 feet above North American Vertical Datum of 1988 at a stream-gaging station in the Pederson Springs area to 1,706.31 feet at a station on the Muddy River near Moapa. Discharge and water-quality data were compiled for the Warm Springs area and include data provided by the U.S. Geological Survey, Nevada Division of Water Resources, U.S. Fish and Wildlife Service, Moapa Valley Water District, Desert Research Institute, and Converse Consultants. Historical and current hydrologic data-collection networks primarily are related to changes in land- and water-use activities in the Warm Springs area. These changes include declines in ranching and agricultural use, the exportation of water to other areas of Moapa Valley, and the creation of a national wildlife refuge. Water-surface elevations, discharge, and water-quality data compiled for the Warm Springs area will help identify (1) effects of changing vegetation within the former agricultural lands, (2) effects

  12. Experimental warming differentially affects microbial structure and activity in two contrasted moisture sites in a Sphagnum-dominated peatland.

    PubMed

    Delarue, Frédéric; Buttler, Alexandre; Bragazza, Luca; Grasset, Laurent; Jassey, Vincent E J; Gogo, Sébastien; Laggoun-Défarge, Fatima

    2015-04-01

    Several studies on the impact of climate warming have indicated that peat decomposition/mineralization will be enhanced. Most of these studies deal with the impact of experimental warming during summer when prevalent abiotic conditions are favorable to decomposition. Here, we investigated the effect of experimental air warming by open-top chambers (OTCs) on water-extractable organic matter (WEOM), microbial biomasses and enzymatic activities in two contrasted moisture sites named Bog and Fen sites, the latter considered as the wetter ones. While no or few changes in peat temperature and water content appeared under the overall effect of OTCs, we observed that air warming smoothed water content differences and led to a decrease in mean peat temperature at the warmed Bog sites. This thermal discrepancy between the two sites led to contrasting changes in microbial structure and activities: a rise in hydrolytic activity at the warmed Bog sites and a relative enhancement of bacterial biomass at the warmed Fen sites. These features were not associated with any change in WEOM properties namely carbon and sugar contents and aromaticity, suggesting that air warming did not trigger any shift in OM decomposition. Using various tools, we show that the use of single indicators of OM decomposition can lead to fallacious conclusions. Lastly, these patterns may change seasonally as a consequence of complex interactions between groundwater level and air warming, suggesting the need to improve our knowledge using a high time-resolution approach.

  13. Drinking Water in California Child Care Sites Before and After 2011–2012 Beverage Policy

    PubMed Central

    Yoshida, Sallie; Sharma, Sushma; Patel, Anisha; Vitale, Elyse Homel; Hecht, Ken

    2015-01-01

    Introduction Drinking water is promoted to improve beverage nutrition and reduce the prevalence of obesity. The aims of this study were to identify how water was provided to young children in child care and to determine the extent to which water access changed after a federal and state child care beverage policy was instituted in 2011 and 2012 in California. Methods Two independent cross-sectional samples of licensed child care providers completed a self-administered survey in 2008 (n = 429) and 2012 (n = 435). Logistic regression was used to analyze data for differences between 2008 and 2012 survey responses, after adjustment for correlations among the measurements in each of 6 child care categories sampled. Results A significantly larger percentage of sites in 2012 than in 2008 always served water at the table with meals or snacks (47.0% vs 28.0%, P = .001). A significantly larger percentage of child care sites in 2012 than in 2008 made water easily and visibly available for children to self-serve both indoors (77.9% vs 69.0%, P = .02) and outside (78.0% vs 69.0%, P = .03). Sites that participated in the federal Child and Adult Care Food Program had greater access to water indoors and outside than sites not in the program. In 2012 most (76.1%) child care providers reported no barriers to serving water to children. Factors most frequently cited to facilitate serving water were information for families (39.0% of sites), beverage policy (37.0%), and lessons for children (37.9%). Conclusion Water provision in California child care improved significantly between samples of sites studied in 2008 and 2012, but room for improvement remains after policy implementation. Additional training for child care providers and parents should be considered. PMID:26043304

  14. Water Monitoring Report for the 200 W Area Tree Windbreak, Hanford Site Richland, Washington

    SciTech Connect

    Gee, Glendon W. ); Carr, Jennifer S. ); Goreham, John O. ); Strickland, Christopher E. )

    2002-09-18

    Water inputs to the vadose zone from irrigation of a tree windbreak in the 200 W Area of the Hanford Site were monitored during the summer of 2002. Water flux and soil-water contents were measured within the windbreak and at two locations just east of the windbreak to assess the impact of the irrigation on the vadose zone and to assist in optimizing the irrigation applications. In May 2002, instrumentation was placed in auger holes and backfilled with local soil. Sensors were connected to a data acquisition system (DAS), and the data were telemetered to the laboratory via digital modem in late June 2002. Data files and graphics were made web accessible for instantaneous retrieval. Precipitation, drip irrigation, deep-water flux, soil-water content, and soil-water pressures have been monitored on a nearly continuous basis from the tree-line site since June 26, 2002.

  15. Estimation of the limitations for surficial water addition above a potential high level radioactive waste repository at Yucca Mountain, Nevada; Yucca Mountain Site Characterization Project

    SciTech Connect

    Fewell, M.E.; Sobolik, S.R.; Gauthier, J.H.

    1992-01-01

    The Yucca Mountain Site Characterization Project is studying Yucca Mountain in southwestern Nevada as a potential site for a high-level nuclear waste repository. Site characterization includes surface-based and underground testing. Analyses have been performed to design site characterization activities with minimal impact on the ability of the site to isolate waste, and on tests performed as part of the characterization process. One activity of site characterization is the construction of an Exploratory Studies Facility, consisting of underground shafts, drifts, and ramps, and the accompanying surface pad facility and roads. The information in this report addresses the following topics: (1) a discussion of the potential effects of surface construction water on repository-performance, and on surface and underground experiments; (2) one-dimensional numerical calculations predicting the maximum allowable amount of water that may infiltrate the surface of the mountain without affecting repository performance; and (3) two-dimensional numerical calculations of the movement of that amount of surface water and how the water may affect repository performance and experiments. The results contained herein should be used with other site data and scientific/engineering judgement in determining controls on water usage at Yucca Mountain. This document contains information that has been used in preparing Appendix I of the Exploratory Studies Facility Design Requirements document for the Yucca Mountain Site Characterization Project.

  16. Determination of beta activity in water

    USGS Publications Warehouse

    Barker, F.B.; Robinson, B.P.

    1963-01-01

    Many elements have one or more naturally radioactive isotopes, and several hundred other radionuclides have been produced artificially. Radioactive substances may be present in natural water as a result of geochemical processes or the release of radioactive waste and other nuclear debris to the environment. The Geological Survey has developed methods for measuring certain of these .radioactive substances in water. Radioactive substances often are present in water samples in microgram quantities or less. Therefore, precautions must be taken to prevent loss of material and to assure that the sample truly represents its source at the time of collection. Addition of acids, complexing agents, or stable isotopes often aids in preventing loss of radioactivity on container walls, on sediment, or on other solid materials in contact with the sample. The disintegration of radioactive atoms is a random process subject to established methods of statistical analysis. Because many water samples contain small amounts of radioactivity, low-level counting techniques must be used. The usual assumption that counting data follow a Gaussian distribution is invalid under these conditions, and statistical analyses must be based on the Poisson distribution. The gross beta activity in water samples is determined from the residue left after evaporation of the sample to dryness. Evaporation is accomplished first in a teflon dish, then the residue is transferred with distilled water to a counting planchet and again is reduced to dryness. The radioactivity on the planchet is measured with an anticoincidence-shielded, low-background, beta counter and is compared with measurements of a strontium-90-yttrium-90 standard prepared and measured in the same manner. Control charts are used to assure consistent operation of the counting instrument.

  17. Baseline risk assessment of ground water contamination at the uranium mill tailings site near Durango, Colorado

    SciTech Connect

    Not Available

    1995-02-01

    This risk assessment evaluates the possibility of health and environmental risks from contaminated ground water at the uranium mill tailings site near Durango, Colorado. The former uranium processing site`s contaminated soil and material were removed and placed at a disposal site located in Body Canyon, Colorado, during 1986--1991 by the US Departments of Energy`s Uranium Mill Tailings Remedial Action (UMTRA) Project. Currently, the UMTRA Project is evaluating the nature and extent of ground water contamination at the site. This risk assessment follows an approach similar to that used by the US Environmental Protection Agency. The first step is to determine what site-related contaminants are found in ground water samples. The next step in the risk assessment is to determine how much of these contaminants people might ingest if they got their drinking water from a well on the site. In accordance with standard practice for this type of risk assessment, the highest contaminant concentrations from the most contaminated wells are used. The risk assessment then explains the possible health problems that could result from this amount of contamination.

  18. Use of Temperature and Surface Gas Flux as Novel Measures of Microbial Activity at a Crude Oil Spill Site

    NASA Astrophysics Data System (ADS)

    Bekins, B. A.; Warren, E.; Sihota, N. J.; Hostettler, F. D.

    2012-12-01

    Degradation of crude oil in the subsurface has been studied for over 30 years at a spill site located near Bemidji, Minnesota, USA. The well-characterized site is being used to experiment with the use of surface gas flux and temperature measurements as novel methods for quantifying microbial activity. In the largest subsurface oil body, a 2-m-thick smear zone spans the water table 6-8 m below the surface. Methane produced from degradation of the oil diffuses upward and mixes with oxygen from the surface supporting aerobic methanotrophy at 2-4 m depth. The methane oxidation produces CO2 and heat at rates which are hypothetically proportional to other measures of subsurface microbial activity. To test this hypothesis, vertical profiles of temperature and microbial populations, surface CO2 flux, and oil degradation state were measured at three sites in the oil body and one background site. Temperature increases in the oil zone near the water table were 1-4°C above the background site. The site with the highest temperature increase at the water table also had the highest concentrations of gene copy numbers for methanogens (mcrA) and methanotrophs (pmoA) along with the most degraded oil. Surface CO2 flux over the oil sites averaged more than twice that at the background site but was not consistently highest over the site with the highest activity by other measures. One possible explanation for this discrepancy is variation in the effective diffusion coefficient of the vadose zone between the methanotrophic zone and the surface. At the level of the methanotrophic zone, temperatures were elevated 2-6°C over the background values but again the site with greatest average annual temperature increase was not at the most active site. This may be due to enhanced recharge at the most active site, which lies at the center of a local topographic depression where focused recharge occurs. Overall, the temperature and flux data showed significant increases at the oil sites compared

  19. [Nonequilibrium state of electrochemically activated water and its biological activity].

    PubMed

    Petrushanko, I Iu; Lobyshev, V I

    2001-01-01

    Changes in the physicochemical parameters (pH, redox potential and electroconductivity) of catholyte and anolyte produced by membrane electrolysis of distilled water and dilute (c < 10(-3) M) sodium chloride solutions were studied. The relaxation of these parameters after electrolysis and the influence of catholyte and anolyte on the growth of roots of Tradescantia viridis grafts, the development of duckweed, and the motive activity of infusoria Spirostomum ambiguum were investigated. It was found that the anolyte of distilled water stimulated development of these biological objects. The direction of shift of physicochemical parameters of catholyte and anolyte from equilibrium values and the type of their biological activity (stimulation or inhibition) depend on salt concentration in initial solution. Barbotage of initial distilled water with argon or nitrogen leads to a greater decrease in the redox potential of catholyte during electrolysis. The physicochemical parameters relax to equilibrium values, and the biological activity of catholite and anolyte decreases with time and practically disappears by the end of the day. It was found that the oxidation of reducing agent by atmospheric oxygen is not the sole cause of the relaxation of catalyte redox potential. The increase in the ionic strength of catholite and anolyte by the addition of concentrated sodium chloride after electrolysis decreases the rate of redox potential relaxation several times. The redox potential can be maintained for long periods by freezing.

  20. Site-specific PEGylation of lidamycin and its antitumor activity

    PubMed Central

    Li, Liang; Shang, Boyang; Hu, Lei; Shao, Rongguang; Zhen, Yongsu

    2015-01-01

    In this study, N-terminal site-specific mono-PEGylation of the recombinant lidamycin apoprotein (rLDP) of lidamycin (LDM) was prepared using a polyethyleneglycol (PEG) derivative (Mw 20 kDa) through a reactive terminal aldehyde group under weak acidic conditions (pH 5.5). The biochemical properties of mPEG-rLDP-AE, an enediyne-integrated conjugate, were analyzed by SDS-PAGE, RP-HPLC, SEC-HPLC and MALDI-TOF. Meanwhile, in vitro and in vivo antitumor activity of mPEG-rLDP-AE was evaluated by MTT assays and in xenograft model. The results indicated that mPEG-rLDP-AE showed significant antitumor activity both in vitro and in vivo. After PEGylation, mPEG-rLDP still retained the binding capability to the enediyne AE and presented the physicochemical characteristics similar to that of native LDP. It is of interest that the PEGylation did not diminish the antitumor efficacy of LDM, implying the possibility that this derivative may function as a payload to deliver novel tumor-targeted drugs. PMID:26579455

  1. Environmental Assessment of Ground Water Compliance at the Gunnison, Colorado, UMTRA Project Site

    SciTech Connect

    N /A

    2002-08-13

    The U.S. Department of Energy (DOE) is in the process of selecting a ground water compliance strategy for the Gunnison, Colorado, Uranium Mill Tailings Remedial Action (UMTRA) Project site. This Environmental Assessment (EA) discusses two alternatives and the effects associated with each. The two alternatives are (1) natural flushing coupled with institutional controls and continued monitoring and (2) no action. The compliance strategy must meet U.S. Environmental Protection Agency (EPA) ground water standards defined in Title 40 ''Code of Federal Regulations'' Part 192, Subpart B, in areas where ground water beneath and around the site is contaminated as a result of past milling operations. It has been determined that contamination in the ground water at the Gunnison site consists of soluble residual radioactive material (RRM) as defined in the Uranium Mill Tailings Radiation Control Act (UMTRCA).

  2. Water quality changes at three reclaimed mine sites related to the injection of coal combustion residues

    SciTech Connect

    Ackman, T.E.; Jones, J.R.; Kim, A.G.

    1996-12-31

    Surface and groundwater pollution is a common problem associated with post-surface mining operations. The US Bureau of Mines (BOM) participated in the testing of subsurface injections of coal combustion residues (CCR) at three reclaimed surface mine sites. The addition of alkaline CCR to the subsurface environment can raise the pH, limit propagation of pyrite oxidizing bacteria and reduce the rate of acid generation. Many CCR`s can also form cement-like grout, which when injected into buried spoil may decrease its permeability and porosity, diverting water away from the pyritic material. The objective of this work was to develop an effective, economical and permanent method to abate or reduce post-mining water pollution. The effectiveness of CCR injection as an acid mine drainage abatement technique was evaluated by the BOM by monitoring water quality at three sites in: Upshur County, WV, Clinton County, PA and Greene County, PA. Geophysical techniques were used at all sites to locate monitoring and injection wells that were subsequently drilled into the spoil. Grout injection work was completed between 1990 and 1994 at the three sites. Baseline water quality data were collected at all three sites for a minimum of one year. Post-grouting water quality at the discharge of the three sites showed a slight, long-term improvement and no apparent degradation in water quality resulting from the injection of the coal combustion residues. Notable and long-term improvements in water quality at various monitoring wells (on all sites) were also observed.

  3. Geochemical and isotopic study of soils and waters from an Italian contaminated site: Agro Aversano (Campania)

    USGS Publications Warehouse

    Bove, M.A.; Ayuso, R.A.; de Vivo, B.; Lima, A.; Albanese, S.

    2011-01-01

    Lead isotope applications have been widely used in recent years in environmental studies conducted on different kinds of sampled media. In the present paper, Pb isotope ratios have been used to determine the sources of metal pollution in soils and waters in the Agro Aversano area. During three different sampling phases, a total of 113 surface soils (5-20. cm), 20 samples from 2 soil profiles (0-1. m), 11 stream waters and 4 groundwaters were collected. Major element concentrations in sampled media have been analyzed by the ICP-MS technique. Surface soils (20 samples), all soil profiles and all waters have been also analyzed for Pb isotope compositions by thermal ionization (TIMS). The geochemical data were assessed using statistic methods and cartographically elaborated in order to have a clear picture of the level of disturbance of the area. Pb isotopic data were studied to discriminate between anthropogenic and geologic sources. Our results show that As (5.6-25.6. mg/kg), Cu (9-677. mg/kg), Pb (22-193. mg/kg), Tl (0.53-3.62. mg/kg), V (26-142. mg/kg) and Zn (34-215. mg//kg) contents in analyzed soils, exceed the intervention limits fixed by the Italian Environmental Law for residential areas in some of the sampled sites, while intervention limit for industrial areas is exceeded only for Cu concentrations. Lead isotopic data, show that there is a high similarity between the ratios measured in the leached soil samples and those deriving from anthropic activities. This similarity with anthropogenic Pb is also evident in the ratios measured in both groundwater and stream water samples. ?? 2010 Elsevier B.V.

  4. Allosteric site-mediated active site inhibition of PBP2a using Quercetin 3-O-rutinoside and its combination.

    PubMed

    Rani, Nidhi; Vijayakumar, Saravanan; P T V, Lakshmi; Arunachalam, Annamalai

    2016-08-01

    Recent crystallographic study revealed the involvement of allosteric site in active site inhibition of penicillin binding protein (PBP2a), where one molecule of Ceftaroline (Cef) binds to the allosteric site of PBP2a and paved way for the other molecule (Cef) to bind at the active site. Though Cef has the potency to inhibit the PBP2a, its adverse side effects are of major concern. Previous studies have reported the antibacterial property of Quercetin derivatives, a group of natural compounds. Hence, the present study aims to evaluate the effect of Quercetin 3-o-rutinoside (Rut) in allosteric site-mediated active site inhibition of PBP2a. The molecular docking studies between allosteric site and ligands (Rut, Que, and Cef) revealed a better binding efficiency (G-score) of Rut (-7.790318) and Cef (-6.194946) with respect to Que (-5.079284). Molecular dynamic (MD) simulation studies showed significant changes at the active site in the presence of ligands (Rut and Cef) at allosteric site. Four different combinations of Rut and Cef were docked and their G-scores ranged between -6.320 and -8.623. MD studies revealed the stability of the key residue (Ser403) with Rut being at both sites, compared to other complexes. Morphological analysis through electron microscopy confirmed that combination of Rut and Cefixime was able to disturb the bacterial cell membrane in a similar fashion to that of Rut and Cefixime alone. The results of this study indicate that the affinity of Rut at both sites were equally good, with further validations Rut could be considered as an alternative for inhibiting MRSA growth.

  5. Explosive lava-water interactions II: self-organization processes among volcanic rootless eruption sites in the 1783-1784 Laki lava flow, Iceland

    NASA Astrophysics Data System (ADS)

    Hamilton, Christopher W.; Fagents, Sarah A.; Thordarson, Thorvaldur

    2010-05-01

    We have applied quantitative geospatial analyses to rootless eruption sites in the Hnúta and Hrossatungur groups of the 1783-1784 Laki lava flow to establish how patterns of spatial distribution can be used to obtain information about rootless cone emplacement processes and paleo-environments. This study utilizes sample-size-dependent nearest neighbor (NN) statistics and Voronoi tessellations to quantify the spatial distribution of rootless eruption sites and validate the use of statistical NN analysis as a remote sensing tool. Our results show that rootless eruption sites cluster in environments with abundant lava and water resources, but competition for limited groundwater in these clusters can cause rootless eruption sites to develop repelled distributions. This pattern of self-organization can be interpreted within the context of resource availability and depletion. Topography tends to concentrate lava (fuel) and water (coolant) within topographic lows, thereby promoting explosive lava-water interactions in these regions. Given an excess supply of lava within broad sheet lobes, rootless eruption sites withdraw groundwater from their surroundings until there is insufficient water to maintain analogs to explosive molten fuel-coolant interactions. Rootless eruption sites may be modeled as a network of water extraction wells that draw down the water table in their vicinity. Rootless eruptions at locations with insufficient groundwater may either fail to initiate or terminate before explosive activity has ceased at nearby locations with a greater supply of water, thus imparting a repelled distribution to observed rootless eruption sites.

  6. Linde FUSRAP Site Remediation: Engineering Challenges and Solutions of Remedial Activities on an Active Industrial Facility - 13506

    SciTech Connect

    Beres, Christopher M.; Fort, E. Joseph; Boyle, James D.

    2013-07-01

    The Linde FUSRAP Site (Linde) is located in Tonawanda, New York at a major research and development facility for Praxair, Inc. (Praxair). Successful remediation activities at Linde combines meeting cleanup objectives of radiological contamination while minimizing impacts to Praxair business operations. The unique use of Praxair's property coupled with an array of active and abandoned utilities poses many engineering and operational challenges; each of which has been overcome during the remedial action at Linde. The U.S. Army Corps of Engineers - Buffalo District (USACE) and CABRERA SERVICES, INC. (CABRERA) have successfully faced engineering challenges such as relocation of an aboveground structure, structural protection of an active water line, and installation of active mechanical, electrical, and communication utilities to perform remediation. As remediation nears completion, continued success of engineering challenges is critical as remaining activities exist in the vicinity of infrastructure essential to business operations; an electrical substation and duct bank providing power throughout the Praxair facility. Emphasis on engineering and operations through final remediation and into site restoration will allow for the safe and successful completion of the project. (authors)

  7. Extensive site-directed mutagenesis reveals interconnected functional units in the alkaline phosphatase active site

    PubMed Central

    Sunden, Fanny; Peck, Ariana; Salzman, Julia; Ressl, Susanne; Herschlag, Daniel

    2015-01-01

    Enzymes enable life by accelerating reaction rates to biological timescales. Conventional studies have focused on identifying the residues that have a direct involvement in an enzymatic reaction, but these so-called ‘catalytic residues’ are embedded in extensive interaction networks. Although fundamental to our understanding of enzyme function, evolution, and engineering, the properties of these networks have yet to be quantitatively and systematically explored. We dissected an interaction network of five residues in the active site of Escherichia coli alkaline phosphatase. Analysis of the complex catalytic interdependence of specific residues identified three energetically independent but structurally interconnected functional units with distinct modes of cooperativity. From an evolutionary perspective, this network is orders of magnitude more probable to arise than a fully cooperative network. From a functional perspective, new catalytic insights emerge. Further, such comprehensive energetic characterization will be necessary to benchmark the algorithms required to rationally engineer highly efficient enzymes. DOI: http://dx.doi.org/10.7554/eLife.06181.001 PMID:25902402

  8. Characterization of quinol-dependent nitric oxide reductase from Geobacillus stearothermophilus: enzymatic activity and active site structure.

    PubMed

    Terasaka, Erina; Okada, Norihiro; Sato, Nozomi; Sako, Yoshihiko; Shiro, Yoshitsugu; Tosha, Takehiko

    2014-07-01

    Nitric oxide reductase (NOR) catalyzes the reduction of nitric oxide to generate nitrous oxide. We recently reported on the crystal structure of a quinol-dependent NOR (qNOR) from Geobacillus stearothermophilus [Y. Matsumoto, T. Tosha, A.V. Pisliakov, T. Hino, H. Sugimoto, S. Nagano, Y. Sugita and Y. Shiro, Nat. Struct. Mol. Biol. 19 (2012) 238-246], and suggested that a water channel from the cytoplasm, which is not observed in cytochrome c-dependent NOR (cNOR), functions as a pathway transferring catalytic protons. Here, we further investigated the functional and structural properties of qNOR, and compared the findings with those for cNOR. The pH optimum for the enzymatic reaction of qNOR was in the alkaline range, whereas Pseudomonas aeruginosa cNOR showed a higher activity at an acidic pH. The considerably slower reduction rate, and a correlation of the pH dependence for enzymatic activity and the reduction rate suggest that the reduction process is the rate-determining step for the NO reduction by qNOR, while the reduction rate for cNOR was very fast and therefore is unlikely to be the rate-determining step. A close examination of the heme/non-heme iron binuclear center by resonance Raman spectroscopy indicated that qNOR has a more polar environment at the binuclear center compared with cNOR. It is plausible that a water channel enhances the accessibility of the active site to solvent water, creating a more polar environment in qNOR. This structural feature could control certain properties of the active site, such as redox potential, which could explain the different catalytic properties of the two NORs. This article is part of a Special Issue entitled: 18th European Bioenergetic Conference.

  9. A NMR and MD study of the active site of factor Xa by selective inhibitors

    NASA Astrophysics Data System (ADS)

    Doan, B. T.; Fraternali, F.; Do, Q. T.; Atkinson, R. A.; Palmas, P.; Sklenar, V.; Wildgoose, P.; Strop, P.; Saudek, V.

    1998-02-01

    The structure of two selective inhibitors obtained by the screening of a vast combinatorial library, Ac-Tyr-Ile-Arg-Ile-NH2 and Ac-(4-amino-Phe)-(Cyc.-Gly)-NH2, in the active site of the blood clotting enzyme factor Xa was determined using transferred NOE NMR and simulated annealing (SA) under NMR constraints. The refined structures of the inhibitors were docked in the active site and SA was performed inside the enzyme which has been kept as a rigid charged template. The final structures were optimised by molecular dynamics simulation of the complexes in water. The inhibitors assume a compact, very well defined conformation embedded in the binding site without blocking the catalysis. The model allows to explain the mode of action, affinity and specificity. L'étude structurale d'inhibiteurs du facteur Xa, une enzyme de coagulation, obtenus par chimie combinatoire : Ac-Tyr-Ile-Arg-Ile-NH2, Ac-(4-amino-Phe)-(Cyc.-Gly)-NH2, a été réalisée par RMN NOE de transfert et modélisation moléculaire. Les structures ont été calculées sous contraintes RMN : géométrie de distance, recuit simulé et minimisation, affinées par une recherche conformationnelle et recuit de l'inhibiteur placé dans le site actif et optimisées par simulation de dynamique moléculaire du complexe dans l'eau. L'inhibiteur présente une structure compacte positionnée dans le site d'interaction hors d'accès du site catalytique. Ce modèle permet d'expliquer le mode d'action, l'affinité et la spécificité des peptides.

  10. A split active site couples cap recognition by Dcp2 to activation

    PubMed Central

    Floor, Stephen N.; Jones, Brittnee N.; Hernandez, Gail A.; Gross, John D.

    2010-01-01

    Decapping by Dcp2 is an essential step in 5′-3′ mRNA decay. In yeast, decapping requires an open-to-closed transition in Dcp2, though the link between closure and catalysis remains elusive. Here we show using NMR that cap binds conserved residues on both the catalytic and regulatory domains of Dcp2. Lesions in the cap-binding site on the regulatory domain reduce the catalytic step two orders of magnitude and block formation of the closed state whereas Dcp1 enhances the catalytic step by a factor of ten and promotes closure. We conclude that closure occurs during the rate-limiting catalytic step of decapping, juxtaposing the cap-binding region of each domain to form a composite active site. This work suggests a model for regulation of decapping, where coactivators trigger decapping by stabilizing a labile composite active site. PMID:20711189

  11. Ground-water quality in the vicinity of landfill sites, southern Franklin County, Ohio

    USGS Publications Warehouse

    De Roche, J.T.; Razem, A.C.

    1981-01-01

    The hydrogeology and ground-water quality in the vicinity of five landfills in southern Franklin County, Ohio, were investigated by use of data obtained from 46 existing wells, 1 seep, 1 surface-water site, and 1 leachate-collection site. Interpretation was based on data from the wells, a potentiometric-surface map, and chemical analyses. Four of the five landfills are in abandoned sand and gravel pits. Pumping of water from a quarry near the landfills has modified the local ground-water flow pattern, increased the hydraulic gradient, and lowered the water table. Ground water unaffected by the landfills is a hard, calcium bicarbonate type with concentrations of dissolved iron and dissolved sulfate as great as 3.0 milligrams per liter and 200 milligrams per liter, respectively. Water sampled from wells downgradient from two landfills shows an increase in sodium, chloride, and other constituents. The change in water quality cannot be traced directly to the landfills, however, because of well location and the presence of other potential sources of contamination. Chemical analysis of leachate from a collection unit at one landfill shows significant amounts of zinc, chromium, copper, and nickel, in addition to high total organic carbon, biochemical oxygen demand, and organic nitrogen. Concentrations of chloride, iron, lead, manganese and phenolic compounds exceed Ohio Environmental Protection Agency Water Quality Standards for drinking water. Water from unaffected wells within the study area have relatively small amounts of these constituents. (USGS)

  12. Water quality in the vicinity of Fenton Hill, 1987 and 1988. [Fenton Hill site

    SciTech Connect

    Purtymun, W.D.; Ferenbaugh, R.W.; Maes, M.N.; Williams, M.C.

    1991-03-01

    Water-quality data have been collected since 1974 from established surface- and ground-water stations at, and in the vicinity of, Fenton Hill (site of the Laboratory's Hot Dry Rock Geothermal Project). The site is located on the southwest edge of the Valles Caldera in the Jemez Mountains. To determine the chemical quality of water, data were collected in 1987 and 1988 from 13 surface-water stations and 19 ground-water stations. The classification of the water quality is made on the basis of predominated ions and total dissolved solids. There are four classifications of surface water (sodium and chloride, calcium and bicarbonate, calcium and sulfate, and sodium and bicarbonate) and three classifications of ground water (sodium and chloride, calcium and bicarbonate, and sodium and bicarbonate). Variations in the chemical quality of the surface and ground water in 1987 and 1988 are apparent when data are compared with each other and with previous analyses. These variations are not considered significant, as they are in the range of normal seasonal changes. Cumulative production since 1976 from the supply well at Fenton Hill has been about 63 {times} 10{sup 6} gal, with a decline in the water level of the well of about 14 ft, or about 1.4 ft/yr. The aquifer penetrated by the well is still capable of reliable supply to the site for a number of years, based on past production. The quality of water from the well has deteriorated slightly; however, the water quality is in compliance with drinking water standards. The effects of discharge from the storage ponds into an adjacent canyon have been monitored by trace metal analyses of vegetation and soil. The study indicates minimal effects, which will be undetectable in a few years if there are no further releases of effluents into the canyon. 19 refs., 6 figs., 3 tabs.

  13. Water activities in the Kerala Khondalite Belt

    NASA Technical Reports Server (NTRS)

    Chacko, Thomas; Kumar, G. R. Ravindra; Peterson, J. W.

    1988-01-01

    The author and colleagues presented their determinations of water activities in various granulite-facies rocks of the Kerala Khondalite Belt. Using mineral equilibria, thermodynamic data, and assumed geopressure-geotemperature conditions of 5.5 kbar and 750 C, they calculated uniformly low a(H2O) values of about 0.27 over a large geographic region. They suggested that these conditions were produced by the presence of abundant CO2-rich fluids, derived either from deeper levels or from metamorphic reactions involving graphite.

  14. [Assessment of Cyto- and Genotoxicity of Underground Waters from the Far Eastern Center on Radioactive Waste Treatment Site].

    PubMed

    Oudalova, A A; Pyatkova, S V; Geras'kin, S A; Kiselev, S M; Akhromeev, S V

    2016-01-01

    This study has been completed in the frames of activities on the environment assessment in the vicinity of the Far Eastern center (FEC) on radioactive waste treatment (a branch of Fokino, Sysoev Bay). Underground waters collected at the FEC technical site were surveyed both with instrumental techniques and bioassays. Concentrations of some chemicals (ranged to the third hazard category) in the samples collected are over the permitted limits. Activities of 137Cs and 90Sr in waters amount up to 3.8 and 16.2 Bq/l, correspondingly. The integral pollution index is over 1 in all the samples and could amount up to 165. The Allium-test application allows the detection of the sample points where underground waters have an enhanced mutagenic potential. Dependencies between biological effects and pollution levels are analyzed. The findings obtained could be used for the monitoring optimized and decision making on rehabilitation measures to decrease negative influence of the enterprise on the environment.

  15. ARSENIC SORUCE IDENTIFICATION AT THE GROUND WATER-SURFACE WATER INTERACTION ZONE AT A CONTAMINATED SITE

    EPA Science Inventory

    One of the challenges in assessing the current impact of the discharge of arsenic contaminated ground water into a surface water body is differentiating the arsenic ground-water flux versus dissolution of in-place contaminated sediments. A field investigation has been carried ou...

  16. July 2010 Natural Gas and Produced Water Sampling at the Gasbuggy, New Mexico, Site

    SciTech Connect

    2011-01-01

    Annual natural gas and produced water monitoring was conducted for gas wells adjacent to Section 36, where the Gasbuggy test was conducted, in accordance with the draft Long-Term Surveillance and Maintenance Plan for the Gasbuggy Site, Rio Arriba County, New Mexico. Sampling and analysis was conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites. (LMS/PLN/S04351, continually updated). Natural gas samples were collected for tritium and carbon-14 analysis. Produced water samples were collected and analyzed for tritium, gamma-emitting radionuclides (by high-resolution gamma spectrometry), gross alpha, and gross beta. An additional water sample was collected from well 29-6 Water Hole for analysis of tritium and gamma-emitting radionuclides. A duplicate produced water sample was collected from well 30-039-21743.

  17. June 2011 Natural Gas and Produced Water Sampling at the Gasbuggy, New Mexico, Site

    SciTech Connect

    2011-10-01

    Annual natural gas and produced water monitoring was conducted for gas wells adjacent to Section 36, where the Gasbuggy test was conducted, in accordance with the draft Long-Term Surveillance and Maintenance Plan for the Gasbuggy Site, Rio Arriba County, New Mexico. Sampling and analysis were conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PLN/S04351, continually updated). Natural gas samples were collected for tritium and carbon-14 analyses. Produced water samples were collected and analyzed for tritium, gamma-emitting radionuclides (by high-resolution gamma spectrometry), gross alpha, and gross beta. A duplicate produced water sample was collected from well 30-039-21743. Produced water samples were not collected at locations 30-039-30161 and 30-039-21744 because of the lack of water. Samples were not collected from location 30-039-29988 because the well was shut-in.

  18. Effect of prolonged exposure to organic solvents on the active site environment of subtilisin Carlsberg.

    PubMed

    Bansal, Vibha; Delgado, Yamixa; Fasoli, Ezio; Ferrer, Amaris; Griebenow, Kai; Secundo, Francesco; Barletta, Gabriel L

    2010-06-01

    The potential of enzyme catalysis as a tool for organic synthesis is nowadays indisputable, as is the fact that organic solvents affect an enzyme's activity, selectivity and stability. Moreover, it was recently realized that an enzyme's initial activity is substantially decreased after prolonged exposure to organic media, an effect that further hampers their potential as catalysts for organic synthesis. Regrettably, the mechanistic reasons for these effects are still debatable. In the present study we have made an attempt to explain the reasons behind the partial loss of enzyme activity on prolonged exposure to organic solvents. Fluorescence spectroscopic studies of the serine protease subtilisin Carlsberg chemically modified with polyethylene glycol (PEG-SC) and inhibited with a Dancyl fluorophore, and dissolved in two organic solvents (acetonitrile and 1,4-dioxane) indicate that when the enzyme is initially introduced into these solvents, the active site environment is similar to that in water; however prolonged exposure to the organic medium causes this environment to resemble that of the solvent in which the enzyme is dissolved. Furthermore, kinetic studies show a reduction on both V(max) and K(M) as a result of prolonged exposure to the solvents. One interpretation of these results is that during this prolonged exposure to organic solvents the active-site fluorescent label inhibitor adopts a different binding conformation. Extrapolating this to an enzymatic reaction we argue that substrates bind in a less catalytically favorable conformation after the enzyme has been exposed to organic media for several hours.

  19. Variations in water balance and recharge potential at three western desert sites

    USGS Publications Warehouse

    Gee, G.W.; Wierenga, P.J.; Andraski, B.J.; Young, M.H.; Fayer, M.J.; Rockhold, M.L.

    1994-01-01

    Radioactive and hazardous waste landfills exist at numerous desert locations in the USA. At these locations, annual precipitation is low and soils are generally dry, yet little is known about recharge of water and transport of contaminants to the water table. Recent water balance measurements made at three desert locations, Las Cruces, NM, Beatty, NV, and the U.S. Department of Energy's Hanford Site in the state of Washington, provide information on recharge potential under three distinctly different climate and soil conditions. All three sites show water storage increases with time when soils are coarse textured and plants are removed from the surface, the rate of increase being influenced by climatic variables such as precipitation, radiation, temperature, and wind. Lysimeter data from Hanford and Las Cruces indicate that deep drainage (recharge) from bare, sandy soils can range from 10 to >50% of the annual precipitation. At Hanford, when desert plants are present on sandy or gravelly surface soils, deep drainage is reduced but not eliminated. When surface soils are silt loams, deep drainage is eliminated whether plants are present or not. At Las Cruces and Beatty, the presence of plants eliminated deep drainage at the measurement sites. Differences in water balance between sites are attributed to precipitation quantity and distribution and to soil and vegetation types. The implication for waste management at desert locations is that surface soil properties and plant characteristics must be considered in waste site design in order to minimize recharge potential.

  20. Crystal structure at 1.63 A resolution of the native form of porcine beta-trypsin: revealing an acetate ion binding site and functional water network.

    PubMed

    Johnson, A; Gautham, N; Pattabhi, V

    1999-11-16

    The active center of a serine protease is the catalytic triad composed of His-57, Ser-195 and Asp-102. The existing crystal structure data on serine proteases have not fully answered a number of fundamental questions relating to the catalytic activity of serine proteases. The new high resolution native porcine beta-trypsin (BPT) structure is aimed at extending the knowledge on the conformation of the active site and the ordered water structure within and around the active site. The crystal structure of BPT has been determined at 1.63 A resolution. An acetate ion bound at the active site of a trypsin molecule by both classical hydrogen bonds and C-HellipsisO hydrogen bonds has been identified for the first time. A large network of water molecules extending from the recognition amino acid Asp-184 to the entry of the active site has been observed in the BPT structure. A detailed comparison with inhibitor complexes and autolysates indicates that the sulfate ion and the acetate ion bind at the same site of the trypsin molecule. The Ser-195 Cbeta-Ogamma-His-57 Nepsilon angle in the catalytic triad of BPT is intermediate between the corresponding values of the complex and native structure due to acetate ion binding. The network of waters from the recognition amino acid to the active site entry is probably the first ever complete picture of functional waters around the active site. Structural comparisons show that the functional waters involved in the binding of small molecule inhibitors and protease inhibitors are distinctly different.

  1. REMOVAL OF ORGANIC POLLUTANTS FROM SUBCRITICAL WATER WITH ACTIVATED CARBON

    SciTech Connect

    Steven B. Hawthorne; Arnaud J. Lagadec

    1999-08-01

    The Energy & Environmental Research Center (EERC) has demonstrated that controlling the temperature (and to a lesser extent, the pressure) of water can dramatically change its ability to extract organics and inorganics from matrices ranging from soils and sediments to waste sludges and coal. The dielectric constant of water can be changed from about 80 (a very polar solvent) to <5 (similar to a nonpolar organic solvent) by controlling the temperature (from ambient to about 400 C) and pressure (from about 5 to 350 bar). The EERC has shown that hazardous organic pollutants such as pesticides, PACS (polycyclic aromatic hydrocarbons), and PCBs (polychlorinated biphenyls) can be completely removed from soils, sludges, and sediments at temperatures (250 C) and pressures (<50 atm) that are much milder than typically used for supercritical water processes (temperature >374 C, pressure >221 atm). In addition, the process has been demonstrated to be particularly effective for samples containing very high levels of contaminants (e.g., part per thousand). Current projects include demonstrating the subcritical water remediation process at the pilot scale using an 8-liter system constructed under separate funding during 1997. To date, subcritical water has been shown to be an effective extraction fluid for removing a variety of organic pollutants from soils and sludges contaminated with fossil fuel products and waste products, including PACS from soil (e.g., town gas sites), refining catalysts, and petroleum tank bottom sludges; PCBs from soil and sediments; toxic gasoline components (e.g., benzene) from soil and waste sludge; and phenols from petroleum refinery sludges. The obvious need to clean the wastewater from subcritical water processes led to preliminary experiments with activated carbon placed in line after the extractor. Initial experiments were performed before and after cooling the extractant water (e.g., with water at 200 C and with water cooled to 25 C

  2. Surface-Water Quality Conditions and Long-Term Trends at Selected Sites within the Ambient Water-Quality Monitoring Network in Missouri, Water Years 1993-2008

    USGS Publications Warehouse

    Barr, Miya N.; Davis, Jerri V.

    2010-01-01

    The U.S. Geological Survey, in cooperation with the Missouri Department of Natural Resources, collects data pertaining to the surface-water resources of Missouri. These data are collected as part of the Missouri Ambient Water-Quality Monitoring Network and constitute a valuable source of reliable, impartial, and timely information for developing an improved understanding of water resources in the State. Six sites from the Ambient Water-Quality Monitoring Network, with data available from the 1993 through 2008 water years, were chosen to compare water-quality conditions and long-term trends of dissolved oxygen, selected physical properties, total suspended solids, dissolved nitrate plus nitrite as nitrogen, total phosphorous, fecal indicator bacteria, and selected trace elements. The six sites used in the study were classified in groups corresponding to the physiography, main land use, and drainage basin size, and represent most stream types in Missouri. Long-term trends in this study were analyzed using flow-adjusted and non-flow adjusted models. Highly censored datasets (greater than 5 percent but less than 50 percent censored values) were not flow-adjusted. Trends that were detected can possibly be related to changes in agriculture or urban development within the drainage basins. Trends in nutrients were the most prevalent. Upward flow-adjusted trends in dissolved nitrate plus nitrite (as nitrogen) concentrations were identified at the Elk River site, and in total phosphorus concentrations at the South Fabius and Grand River sites. A downward flow-adjusted trend was identified in total phosphorus concentrations from Wilson Creek, the only urban site in the study. The downward trend in phosphorus possibly was related to a phosphorus reduction system that began operation in 2001 at a wastewater treatment plant upstream from the sampling site. Total suspended solids concentrations indicated an upward non-flow adjusted trend at the two northern sites (South Fabius

  3. Relating subsurface temperature changes to microbial activity at a crude oil-contaminated site

    NASA Astrophysics Data System (ADS)

    Warren, Ean; Bekins, Barbara A.

    2015-11-01

    Crude oil at a spill site near Bemidji, Minnesota has been undergoing aerobic and anaerobic biodegradation for over 30 years, creating a 150-200 m plume of primary and secondary contaminants. Microbial degradation generates heat that should be measurable under the right conditions. To measure this heat, thermistors were installed in wells in the saturated zone and in water-filled monitoring tubes in the unsaturated zone. In the saturated zone, a thermal groundwater plume originates near the residual oil body with temperatures ranging from 2.9 °C above background near the oil to 1.2 °C down gradient. Temperatures in the unsaturated zone above the oil body were up to 2.7 °C more than background temperatures. Previous work at this site has shown that methane produced from biodegradation of the oil migrates upward and is oxidized in a methanotrophic zone midway between the water table and the surface. Enthalpy calculations and observations demonstrate that the temperature increases primarily result from aerobic methane oxidation in the unsaturated zone above the oil. Methane oxidation rates at the site independently estimated from surface CO2 efflux data are comparable to rates estimated from the observed temperature increases. The results indicate that temperature may be useful as a low-cost measure of activity but care is required to account for the correct heat-generating reactions, other heat sources and the effects of focused recharge.

  4. Relating subsurface temperature changes to microbial activity at a crude oil-contaminated site.

    PubMed

    Warren, Ean; Bekins, Barbara A

    2015-11-01

    Crude oil at a spill site near Bemidji, Minnesota has been undergoing aerobic and anaerobic biodegradation for over 30 years, creating a 150-200 m plume of primary and secondary contaminants. Microbial degradation generates heat that should be measurable under the right conditions. To measure this heat, thermistors were installed in wells in the saturated zone and in water-filled monitoring tubes in the unsaturated zone. In the saturated zone, a thermal groundwater plume originates near the residual oil body with temperatures ranging from 2.9°C above background near the oil to 1.2°C down gradient. Temperatures in the unsaturated zone above the oil body were up to 2.7°C more than background temperatures. Previous work at this site has shown that methane produced from biodegradation of the oil migrates upward and is oxidized in a methanotrophic zone midway between the water table and the surface. Enthalpy calculations and observations demonstrate that the temperature increases primarily result from aerobic methane oxidation in the unsaturated zone above the oil. Methane oxidation rates at the site independently estimated from surface CO2 efflux data are comparable to rates estimated from the observed temperature increases. The results indicate that temperature may be useful as a low-cost measure of activity but care is required to account for the correct heat-generating reactions, other heat sources and the effects of focused recharge.

  5. Relating subsurface temperature changes to microbial activity at a crude oil-contaminated site

    USGS Publications Warehouse

    Warren, Ean; Bekins, Barbara A.

    2015-01-01

    Crude oil at a spill site near Bemidji, Minnesota has been undergoing aerobic and anaerobic biodegradation for over 30 years, creating a 150–200 m plume of primary and secondary contaminants. Microbial degradation generates heat that should be measurable under the right conditions. To measure this heat, thermistors were installed in wells in the saturated zone and in water-filled monitoring tubes in the unsaturated zone. In the saturated zone, a thermal groundwater plume originates near the residual oil body with temperatures ranging from 2.9 °C above background near the oil to 1.2 °C down gradient. Temperatures in the unsaturated zone above the oil body were up to 2.7 °C more than background temperatures. Previous work at this site has shown that methane produced from biodegradation of the oil migrates upward and is oxidized in a methanotrophic zone midway between the water table and the surface. Enthalpy calculations and observations demonstrate that the temperature increases primarily result from aerobic methane oxidation in the unsaturated zone above the oil. Methane oxidation rates at the site independently estimated from surface CO2 efflux data are comparable to rates estimated from the observed temperature increases. The results indicate that temperature may be useful as a low-cost measure of activity but care is required to account for the correct heat-generating reactions, other heat sources and the effects of focused recharge.

  6. Health effects and water quality at marine sites: Results from the National Epidemiologic and Environmental Assessment of Recreational Water

    EPA Science Inventory

    Since 2003, we have conducted a series of epidemiological studies at beach sites impacted by treated sewage discharge. The goal was to evaluate the association between swimming-associated illness and novel and faster methods of measuring water quality. In 2005 and 2007, we expand...

  7. IMPLICATION OF LAKE WATER RESIDENCE TIME ON THE CLASSIFICATION OF NORWEGIAN SURFACE WATER SITES INTO PROGRESSIVE STAGES OF NITROGEN SATURATION

    EPA Science Inventory

    Seasonal behaviour of NO3- in surface water is often used as an indicator on a catchment's ability to retain N from atmospheric deposition. In this paper, we classify 12 pristine sites (five streams and seven lakes) in southernmost Norway according to the N saturation stage conce...

  8. Water Wisdom: 23 Stand-Alone Activities on Water Supply and Water Conservation for High School Students. 2nd Edition.

    ERIC Educational Resources Information Center

    Massachusetts State Water Resources Authority, Boston.

    This water conservation education program for high schools consists of both stand-alone activities and teacher support materials. Lessons are divided into six broad categories: (1) The Water Cycle; (2) Water and Society; (3) Keeping Water Pure; (4) Visualizing Volumes; (5) The Economics of Water Use; and (6) Domestic Water Conservation. The…

  9. Water Pollution Scrubber Activity Simulates Pollution Control Devices.

    ERIC Educational Resources Information Center

    Kennedy, Edward C., III; Waggoner, Todd C.

    2003-01-01

    A laboratory activity caused students to think actively about water pollution. The students realized that it would be easier to keep water clean than to remove pollutants. They created a water scrubbing system allowing them to pour water in one end and have it emerge clean at the other end. (JOW)

  10. Army Corps of Engineers: Water Resource Authorizations, Appropriations, and Activities

    DTIC Science & Technology

    2016-02-09

    Army Corps of Engineers: Water Resource Authorizations, Appropriations, and Activities Nicole T. Carter Specialist in Natural Resources Policy...of Engineers: Water Resource Authorizations, Appropriations, and Activities Congressional Research Service Summary The U.S. Army Corps of...typically called the Water Resources Development Act (WRDA) or more recently the Water Resources Reform and Development Act of 2014 (WRRDA 2014

  11. Characterization of Active Site Residues of Nitroalkane Oxidase†

    PubMed Central

    Valley, Michael P.; Fenny, Nana S.; Ali, Shah R.; Fitzpatrick, Paul F.

    2010-01-01

    The flavoenzyme nitroalkane oxidase catalyzes the oxidation of primary and secondary nitrolkanes to the corresponding aldehydes and ketones plus nitrite. The structure of the enzyme shows that Serl71 forms a hydrogen bond to the flavin N5, suggesting that it plays a role in catalysis. Cys397 and Tyr398 were previously identified by chemical modification as potential active site residues. To more directly probe the roles of these residues, the S171A, S171V, S171T, C397S, and Y398F enzymes have been characterized with nitroethane as substrate. The C397S and Y398 enzymes were less stable than the wild-type enzyme, and the C397S enzyme routinely contained a substoichiometric amount of FAD. Analysis of the steady-state kinetic parameters for the mutant enzymes, including deuterium isotope effects, establishes that all of the mutations result in decreases in the rate constants for removal of the substrate proton by ~5-fold and decreases in the rate constant for product release of ~2-fold. Only the S171V and S171T mutations alter the rate constant for flavin oxidation. These results establish that these residues are not involved in catalysis, but rather are required for maintaining the protein structure. PMID:20056514

  12. Detection limit for activation measurements in ultralow background sites

    NASA Astrophysics Data System (ADS)

    Trache, Livius; Chesneanu, D.; Margineanu, R.; Pantelica, A.; Ghita, D. G.; Burducea, I.; Straticiuc, M.; Tang, X. D.

    2014-09-01

    We used 12C +13C fusion at the beam energies E = 6, 7 and 8 MeV to determine the sensitivity and the limits of activation method measurements in ultralow background sites. A 13C beam of 0.5 μA from the 3 MV Tandem accelerator of the Horia Hulubei National Institute of Physics and Nuclear Engineering - IFIN HH impinged on thick graphite targets. After about 24 hrs of irradiation targets were measured in two different laboratories: one with a heavy shielded Ge detector in the institute (at the surface) and one located underground in the microBequerel laboratory, in the salt mine of Slanic-Prahova, Romania. The 1369- and 2754 keV peaks from 24Na deactivation were clearly observed in the γ-ray spectra obtained for acquisitions lasting a few hours, or a few days. Determination of the detection limit in evaluating the cross sections for the target irradiated at Ec . m = 3 MeV indicates the fact that it is possible to measure gamma spectrum in underground laboratory down to Ec . m = 2 . 6 MeV. Cleaning the spectra with beta-gamma coincidences and increasing beam intensity 20 times will take as further down. The measurements are motivated by the study of the 12 C +12 C reaction at astrophysical energies.

  13. Disturbance opens recruitment sites for bacterial colonization in activated sludge.

    PubMed

    Vuono, David C; Munakata-Marr, Junko; Spear, John R; Drewes, Jörg E

    2016-01-01

    Little is known about the role of immigration in shaping bacterial communities or the factors that may dictate success or failure of colonization by bacteria from regional species pools. To address these knowledge gaps, the influence of bacterial colonization into an ecosystem (activated sludge bioreactor) was measured through a disturbance gradient (successive decreases in the parameter solids retention time) relative to stable operational conditions. Through a DNA sequencing approach, we show that the most abundant bacteria within the immigrant community have a greater probability of colonizing the receiving ecosystem, but mostly as low abundance community members. Only during the disturbance do some of these bacterial populations significantly increase in abundance beyond background levels and in few cases become dominant community members post-disturbance. Two mechanisms facilitate the enhanced enrichment of immigrant populations during disturbance: (i) the availability of resources left unconsumed by established species and (ii) the increased availability of niche space for colonizers to establish and displace resident populations. Thus, as a disturbance decreases local diversity, recruitment sites become available to promote colonization. This work advances our understanding of microbial resource management and diversity maintenance in complex ecosystems.

  14. Interannual active layer thermal and dynamics evolution at the crater Lake CALM site, Deception Island (Antarctica).

    NASA Astrophysics Data System (ADS)

    Ramos, Miguel; Vieira, Gonzalo; Ángel De Pablo, Miguel; Molina, Antonio; Abramov, Andrey

    2015-04-01

    Deception Island, is an active strato-volcano on South Shetland Archipelago of Antarctica (62° 55' 0″ S, 60° 37' 0″ W), is a cold region with harsh remote and hostile environmental conditions. The permafrost and active layer existence, and the cold climate conditions together with volcanic material with height water content inside made this region of the Earth a perfect site to study the active layer and permafrost evolution involved in the Circumpolar Active Layer South (CALM-S) program. The active layer is measured in late January or firs february (during the end of the thaw period) at the "Crater Lake" CALM site (62°58'06.7''; 60°40'44.8'') on Deception Island, Antarctica, at the period 2006 to 2014 we obtained a mean annual value of 29,7±2 cm. In this paper, we describe the spatial active layer thickness distribution and report the reduction on the mean thickness between February 2006 and 2014. Below the active layer, permafrost could be also reported (with a mean thickness of 4.5± 0.5 m.) based on the temperature data acquired by sensors installed at different depth inside the soil; three different shallow boreholes was drilled (1.0 m., 1.6 m., 4.5 m. in depth) and we have been registered its temperature gradient at the 2010 to 2013 period. Here we use all those data 1) to describe the thermal behavior of the permafrost at the CALM site, and 2) to describe its evolution (aggradation/degradation) along fourteen years of continuous measurements. We develop this study, to known the thermal behavior of the permafrost and the active layer related with the air/soil interaction being one of the most important factors the snow layer that was measured by the installation of termo-snowmeters with the complement of an automatic digital camera during the 2008 to 2014 period. On the other hand, the pyroclastics soil materials has a very high values of water content then the latent heat in the freezing/thawing process controls the active layer evolution and the

  15. Natural attentuation of tritium in vadose zone moisture and ground water at a Lawrence Livermore site in Northern California, USA

    SciTech Connect

    Green-Horner, L; Lamarre, A L; Madrid, V M; Oberderdorfer, J A; Taffett, M J; Woodward, R K

    1999-05-20

    Tritium used in explosives experiments and buried in unlined landfills at a remote Lawrence Livermore National Laboratory (LLNL) site has resulted in three ground water tritium plumes. Using an innovative approach, we determined that despite ground water tritium activities of up to 1.5 million picoCuries per liter (pCi/L) in some locations, natural attenuation processes are significantly limiting the migration of tritium to environmental receptors. We used soil vapor and moisture tritium activity measurements to calculate the source inventory of tritium in the vadose zone. We determined the 12 year annual inventory of tritium in ground water, using objective tritium activity contours and the highly variable saturated thickness of the aquifer. Our analysis indicates that despite seasonal slug releases of tritium, the two plumes emanating from two landfills are stable, with the 1,000 and 20,000 pCi/L contours essentially fixed in space. The third plume emanates continuously from an explosives testing platform; the 1,000 pCi/L contour is translating slightly, but the 20,000 pCi/L contour is retreating upgradient towards the source. Additionally, the long-term trend in total tritium activity for each plume is decreasing. Three processes account for the attenuation of tritium observed: 1) radioactive decay, 2) hydrodynamic dispersion, and 3) dwindling tritium sources. In preparation for the possibility that remediation may be required anyway, we have evaluated innovative remediation technologies for tritium at this site.

  16. Surface-Water Hydrology and Quality at the Pike Hill Superfund Site, Corinth, Vermont, October 2004 to December 2005

    USGS Publications Warehouse

    Kiah, Richard G.; Deacon, Jeffrey R.; Piatak, Nadine M.; Seal, Robert R., II; Coles, James F.; Hammarstrom, Jane M.

    2007-01-01

    The hydrology and quality of surface water in and around the Pike Hill Brook watershed, in Corinth, Vermont, was studied from October 2004 to December 2005 by the U.S. Geological Survey in cooperation with the U.S. Environmental Protection Agency (USEPA). Pike Hill was mined intermittently for copper from 1847 to 1919 and the site is known to be contributing trace elements and acidity to Pike Hill Brook and an unnamed tributary to Cookville Brook. The site has been listed as a Superfund site since 2004. Streamflow, specific conductance, pH, and water temperature were measured continuously and monthly at three sites on Pike Hill Brook to determine the variation in these parameters over an annual cycle. Synoptic water-quality sampling was done at 10 stream sites in October 2004, April 2005, and June 2005 and at 13 stream sites in August 2005 to characterize the quality of surface water in the watershed on a seasonal and spatial basis, as well as to assess the effects of wetlands on water quality. Samples for analysis of benthic macroinvertebrate populations were collected at 11 stream sites in August 2005. Water samples were analyzed for 5 major ions and 32 trace elements. Concentrations of trace elements at sites in the Pike Hill Brook watershed exceeded USEPA National Recommended Water Quality Criteria acute and chronic toxicity standards for aluminum, iron, cadmium, copper, and zinc. Concentrations of copper exceeded the chronic criteria in an unnamed tributary to Cookville Brook in one sample. Concentrations of sulfate, calcium, aluminum, iron, cadmium, copper, and zinc decreased with distance from a site directly downstream from the mine (site 1), as a result of dilution and through sorption and precipitation of the trace elements. Maximum concentrations of aluminum, iron, cadmium, copper, and zinc were observed during spring snowmelt. Concentrations of sulfate, calcium, cadmium, copper, and zinc, and instantaneous loads of calcium and aluminum were

  17. Microbial community changes along the active seepage site of one cold seep in the Red Sea

    PubMed Central

    Cao, Huiluo; Zhang, Weipeng; Wang, Yong; Qian, Pei-Yuan

    2015-01-01

    The active seepage of the marine cold seeps could be a critical process for the exchange of energy between the submerged geosphere and the sea floor environment through organic-rich fluids, potentially even affecting surrounding microbial habitats. However, few studies have investigated the associated microbial community changes. In the present study, 16S rRNA genes were pyrosequenced to decipher changes in the microbial communities from the Thuwal seepage point in the Red Sea to nearby marine sediments in the brine pool, normal marine sediments and water, and benthic microbial mats. An unexpected number of reads from unclassified groups were detected in these habitats; however, the ecological functions of these groups remain unresolved. Furthermore, ammonia-oxidizing archaeal community structures were investigated using the ammonia monooxygenase subunit A (amoA) gene. Analysis of amoA showed that planktonic marine habitats, including seeps and marine water, hosted archaeal ammonia oxidizers that differed from those in microbial mats and marine sediments, suggesting modifications of the ammonia oxidizing archaeal (AOA) communities along the environmental gradient from active seepage sites to peripheral areas. Changes in the microbial community structure of AOA in different habitats (water vs. sediment) potentially correlated with changes in salinity and oxygen concentrations. Overall, the present results revealed for the first time unanticipated novel microbial groups and changes in the ammonia-oxidizing archaea in response to environmental gradients near the active seepages of a cold seep. PMID:26284035

  18. Microbial community changes along the active seepage site of one cold seep in the Red Sea.

    PubMed

    Cao, Huiluo; Zhang, Weipeng; Wang, Yong; Qian, Pei-Yuan

    2015-01-01

    The active seepage of the marine cold seeps could be a critical process for the exchange of energy between the submerged geosphere and the sea floor environment through organic-rich fluids, potentially even affecting surrounding microbial habitats. However, few studies have investigated the associated microbial community changes. In the present study, 16S rRNA genes were pyrosequenced to decipher changes in the microbial communities from the Thuwal seepage point in the Red Sea to nearby marine sediments in the brine pool, normal marine sediments and water, and benthic microbial mats. An unexpected number of reads from unclassified groups were detected in these habitats; however, the ecological functions of these groups remain unresolved. Furthermore, ammonia-oxidizing archaeal community structures were investigated using the ammonia monooxygenase subunit A (amoA) gene. Analysis of amoA showed that planktonic marine habitats, including seeps and marine water, hosted archaeal ammonia oxidizers that differed from those in microbial mats and marine sediments, suggesting modifications of the ammonia oxidizing archaeal (AOA) communities along the environmental gradient from active seepage sites to peripheral areas. Changes in the microbial community structure of AOA in different habitats (water vs. sediment) potentially correlated with changes in salinity and oxygen concentrations. Overall, the present results revealed for the first time unanticipated novel microbial groups and changes in the ammonia-oxidizing archaea in response to environmental gradients near the active seepages of a cold seep.

  19. Sediment Enzyme Activities and Microbial Community Diversity in an Oligotrophic Drinking Water Reservoir, Eastern China

    PubMed Central

    Zhang, Haihan; Huang, Tinglin; Liu, Tingting

    2013-01-01

    Drinking water reservoir plays a vital role in the security of urban water supply, yet little is known about microbial community diversity harbored in the sediment of this oligotrophic freshwater environmental ecosystem. In the present study, integrating community level physiological profiles (CLPPs), nested polymerase chain reaction (PCR)-denaturing gradient gel electrophoresis (DGGE) and clone sequence technologies, we examined the sediment urease and protease activities, bacterial community functional diversity, genetic diversity of bacterial and fungal communities in sediments from six sampling sites of Zhou cun drinking water reservoir, eastern China. The results showed that sediment urease activity was markedly distinct along the sites, ranged from 2.48 to 11.81 mg NH3-N/(g·24h). The highest average well color development (AWCD) was found in site C, indicating the highest metabolic activity of heterotrophic bacterial community. Principal component analysis (PCA) revealed tremendous differences in the functional (metabolic) diversity patterns of the sediment bacterial communities from different sites. Meanwhile, DGGE fingerprints also indicated spatial changes of genetic diversity of sediment bacterial and fungal communities. The sequence BLAST analysis of all the sediment samples found that Comamonas sp. was the dominant bacterial species harbored in site A. Alternaria alternate, Allomyces macrogynus and Rhizophydium sp. were most commonly detected fungal species in sediments of the Zhou cun drinking water reservoir. The results from this work provide new insights about the heterogeneity of sediment microbial community metabolic activity and genetic diversity in the oligotrophic drinking water reservoir. PMID:24205265

  20. Characterisation of Danish Waters with EO and Modelling for Aquaculture Site Selection

    NASA Astrophysics Data System (ADS)

    Huber, Silvia; Hansen, Lars B.; Rasmussen, Mads O.; Kaas, Hanne

    2016-08-01

    The process of selecting a site for aquaculture is complex and many factors are feeding into it. Spatial information from satellites and models is highly valuable in this process. For instance, water temperature is crucial for the fish's health and feed management and chlorophyll-a concentration (chl-a) is used as a water quality indicator. Near-real time satellite information can be used for monitoring purposes and historic patterns of these variables can be included into the process of choosing a suitable site. Modelled data can be used as complementary source, for predictive purposes and during cloudy periods, when optical satellite data is unavailable. In this paper we present a concept of how information from satellites and models can feed into siting. Moreover, we compare temperature and chl-a both from satellites and models, to evaluate the quality as well as difference between these products in the Danish waters.

  1. Field tests of automatic water-level monitor systems: Technology Development Program: Site Investigation Technology Project

    SciTech Connect

    Campbell, M.D.; Schalla, R.

    1990-10-01

    Groundwater in the aquifer beneath the Hanford Site contains radioactive and other contaminants from deposits in the overlying vadose zone. These contaminants flow with the groundwater into the Columbia River. The rate of contaminant movement toward the river depends on hydraulic gradients resulting from aquifer recharge by process water and other liquid waste. Historically, hydraulic gradients were deduced from water-level measurements made manually using steel tapes. However, frequent or simultaneous measurements essential to proper site characterization and remediation under the Resource Conservation and Recovery Act; Comprehensive Environmental Response, Compensation, and Liability Act; and US Environmental Protection Agency (EPA) have been either too costly or impossible. This investigation was authorized to identify technologies capable of meeting site characterization and remediation requirements with precision suitable to EPA. Therefore, we identified and tested available automatic monitoring systems for cost-effective and timely measurements of aquifer water levels. 5 refs., 9 figs.

  2. Evidence of sulphur and nitrogen deposition signals at the United Kingdom Acid Waters Monitoring Network sites.

    PubMed

    Cooper, D M

    2005-09-01

    Some recent studies of trends in sulphate in surface waters have alluded to possible lag effects imposed by catchment soils, resulting in discrepancies between trends in deposition and run-off. To assess the extent of these possible effects in the UK, sulphate concentration data from the United Kingdom Acid Waters Monitoring Network (AWMN) sites are compared with estimates of sulphur deposition at each site. From these data, input-output budgets are computed at an annual time scale. The estimated budgets suggest a close association between catchment sulphur inputs and outputs at an annual scale, with well-balanced annual budgets at most sites, indicative of only minor lag effects. A similar analysis of the AWMN site nitrogen budget shows little evidence of an association between nitrogen inputs and outputs at this time scale.

  3. May 2012 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    SciTech Connect

    2012-12-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 9-10, 2012, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location Johnson Artesian WL. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry and for tritium using the conventional and enrichment methods. Results of this monitoring at the Rio Blanco site demonstrate that groundwater and surface water outside the site boundaries have not been affected by project-related contaminants.

  4. Water-Level Data Analysis for the Saturated Zone Site-Scale Flow and Transport Model

    SciTech Connect

    K. Rehfeldt

    2004-10-08

    This report is an updated analysis of water-level data performed to provide the ''Saturated Zone Site-Scale Flow Model'' (BSC 2004 [DIRS 170037]) (referred to as the saturated zone (SZ) site-scale flow model or site-scale SZ flow model in this report) with the configuration of the potentiometric surface, target water-level data, and hydraulic gradients for calibration of groundwater flow models. This report also contains an expanded discussion of uncertainty in the potentiometric-surface map. The analysis of the potentiometric data presented in Revision 00 of this report (USGS 2001 [DIRS 154625]) provides the configuration of the potentiometric surface, target heads, and hydraulic gradients for the calibration of the SZ site-scale flow model (BSC 2004 [DIRS 170037]). Revision 01 of this report (USGS 2004 [DIRS 168473]) used updated water-level data for selected wells through the year 2000 as the basis for estimating water-level altitudes and the potentiometric surface in the SZ site-scale flow and transport model domain based on an alternative interpretation of perched water conditions. That revision developed computer files containing: Water-level data within the model area (DTN: GS010908312332.002); A table of known vertical head differences (DTN: GS010908312332.003); and A potentiometric-surface map (DTN: GS010608312332.001) using an alternative concept from that presented by USGS (2001 [DIRS 154625]) for the area north of Yucca Mountain. The updated water-level data presented in USGS (2004 [DIRS 168473]) include data obtained from the Nye County Early Warning Drilling Program (EWDP) Phases I and II and data from Borehole USW WT-24. This document is based on Revision 01 (USGS 2004 [DIRS 168473]) and expands the discussion of uncertainty in the potentiometric-surface map. This uncertainty assessment includes an analysis of the impact of more recent water-level data and the impact of adding data from the EWDP Phases III and IV wells. In addition to being utilized

  5. Site-directed mutagenesis of the Anabaena sp. strain PCC 7120 nitrogenase active site to increase photobiological hydrogen production.

    PubMed

    Masukawa, Hajime; Inoue, Kazuhito; Sakurai, Hidehiro; Wolk, C Peter; Hausinger, Robert P

    2010-10-01

    Cyanobacteria use sunlight and water to produce hydrogen gas (H₂), which is potentially useful as a clean and renewable biofuel. Photobiological H₂ arises primarily as an inevitable by-product of N₂ fixation by nitrogenase, an oxygen-labile enzyme typically containing an iron-molybdenum cofactor (FeMo-co) active site. In Anabaena sp. strain 7120, the enzyme is localized to the microaerobic environment of heterocysts, a highly differentiated subset of the filamentous cells. In an effort to increase H₂ production by this strain, six nitrogenase amino acid residues predicted to reside within 5 Å of the FeMo-co were mutated in an attempt to direct electron flow selectively toward proton reduction in the presence of N₂. Most of the 49 variants examined were deficient in N₂-fixing growth and exhibited decreases in their in vivo rates of acetylene reduction. Of greater interest, several variants examined under an N₂ atmosphere significantly increased their in vivo rates of H₂ production, approximating rates equivalent to those under an Ar atmosphere, and accumulated high levels of H₂ compared to the reference strains. These results demonstrate the feasibility of engineering cyanobacterial strains for enhanced photobiological production of H₂ in an aerobic, nitrogen-containing environment.

  6. MX Siting Investigation. Water Resources Program. Volume I. Preliminary Water Management Report.

    DTIC Science & Technology

    1981-09-28

    locations. Volume II o The drawings (maps) for the 14 study valleys delineating suitable and excluded areas for water-supply wells, the location of the Air...OF CONTENTS (Cont.) LIST OF FIGURES Page Figure Number 1.0 INTRODUCTION 1-1 Study Valleys ................................... 4 3.0 WATER SUPPLY...Estimates, Wah Wah Valley, Utah .. 23 3.0 WATER SUPPLY ALTERNATIVES 3-1 Regional and Possible Regional Springs in the Study Valleys

  7. Long-distance proton transfer with a break in the bacteriorhodopsin active site.

    PubMed

    Phatak, Prasad; Frähmcke, Jan S; Wanko, Marius; Hoffmann, Michael; Strodel, Paul; Smith, Jeremy C; Suhai, Sándor; Bondar, Ana-Nicoleta; Elstner, Marcus

    2009-05-27

    Bacteriorhodopsin is a proton-pumping membrane protein found in the plasma membrane of the archaeon Halobacterium salinarium. Light-induced isomerization of the retinal chromophore from all-trans to 13-cis leads to a sequence of five conformation-coupled proton transfer steps and the net transport of one proton from the cytoplasmic to the extracellular side of the membrane. The mechanism of the long-distance proton transfer from the primary acceptor Asp85 to the extracellular proton release group during the O --> bR is poorly understood. Experiments suggest that this long-distance transfer could involve a transient state [O] in which the proton resides on the intermediate carrier Asp212. To assess whether the transient protonation of Asp212 participates in the deprotonation of Asp85, we performed hybrid Quantum Mechanics/Molecular Mechanics proton transfer calculations using different protein structures and with different retinal geometries and active site water molecules. The structural models were assessed by computing UV-vis excitation energies and C=O vibrational frequencies. The results indicate that a transient [O] conformer with protonated Asp212 could indeed be sampled during the long-distance proton transfer to the proton release group. Our calculations suggest that, in the starting proton transfer state O, the retinal is strongly twisted and at least three water molecules are present in the active site.

  8. Thorium-230 dating of natural waters at the Nevada Test Site

    SciTech Connect

    Bakhtiar, S.N.

    1990-01-01

    Radiocarbon determinations have been used in the past to estimate the ages of groundwater from the Paleozoic aquifer underlying the Nevada Test Site and adjacent areas. We measured the concentrations of {sup 230}Th, {sup 232}Th, {sup 234}U and {sup 238}U in several water samples taken from the wells and spring at the Nevada Test Site and calculated the {sup 230}Th ages. 2 refs.

  9. Discovery of Active Hydrothermal Sites Along the Mariana Volcanic Arc, Western Pacific Ocean

    NASA Astrophysics Data System (ADS)

    Baker, E. T.; Embley, R. W.; Resing, J. A.; Lupton, J. E.; Massoth, G. J.; de Ronde, C. E.; Nakamura, K.; Walker, S. L.

    2003-12-01

    Some 20,000 km of volcanic arcs, roughly one-third the total length of the global midocean ridge (MOR) system, rim the western Pacific Ocean. But compared to 25 years of hydrothermal investigations along MORs, exploration of similar activity on the estimated 600 submarine arc volcanoes is only beginning. In February 2003, as part of the Submarine Ring of Fire project funded by NOAA's Ocean Exploration Program, we made the first systematic survey of hydrothermal activity along the 1270-km-long Mariana intraoceanic volcanic arc, which lies almost entirely within the US EEZ. Prior fieldwork had documented active (but low-temperature) hydrothermal discharge on only three volcanoes: Kasuga 2, Kasuga 3, and Esmeralda Bank. During the cruise, we conducted 70 CTD operations over more than 50 individual volcanoes from 13° N to 23° N, plus a continuous CTD survey along 75 km of the back-arc spreading center (13° 15'N to 13° 41'N) adjacent to the southern end of the arc. We found evidence for active hydrothermal venting at 11 submarine volcanoes with summit (or caldera floor) depths ranging from 50 to 1550 m. Two additional sites were identified on the back-arc spreading center. Ongoing analyses of collected water samples could increase these totals. Our results confirmed continuing hydrothermal activity at Kasuga 2 (but not Kasuga 3) and Esmeralda Bank, in addition to newly discovered sites on nine other volcanoes. Many of these sites produce intense and widely dispersed plumes indicative of vigorous, high-temperature discharge. The volcanoes with active hydrothermal systems are about equally divided between those with and without summit calderas. The addition of the Marianas data greatly improves our view of hydrothermal sources along arcs. The 20,000 km of Pacific arcs can be divided between 6380 km of intraoceanic (i.e., mostly submarine) arcs and 13,880 km of island (i.e., mostly subaerial) arcs. At present, ˜15% of the total length of Pacific arcs has been surveyed

  10. Continuous and discrete on-site detection of radon-222 in ground- and surface waters by means of an extraction module.

    PubMed

    Schmidt, Axel; Schlueter, Michael; Melles, Martin; Schubert, Michael

    2008-12-01

    A robust and straightforward method for on-site determination of radon-222 activity concentrations in water is presented. The methodical approach is based on the principle of liquid-gas-membrane extraction. An extraction module, which consists of hollow polypropylene fibres, allows radon stripping from the water of interest into a connected closed air-loop. The resulting radon-in-air activity concentration, which can easily be reconverted into the original radon-in-water activity concentration is measured by means of a standard mobile radon-in-air monitor. The experimental set-up allows radon detection in discrete water samples as well as continuous water pump streams. The technique, covering a wide activity concentration range, is in particular advantageous for measurements of radon-in-water in the field or on research cruises.

  11. Baseline risk assessment of ground water contamination at the uranium mill tailings sites near Slick Rock, Colorado

    SciTech Connect

    Not Available

    1994-11-01

    This baseline risk assessment of ground water contamination at the uranium mill tailings sites near Slick Rock, Colorado, evaluates potential public health and environmental impacts resulting from ground water contamination at the former North Continent (NC) and Union Carbide (UC) uranium mill processing sites. The tailings at these sites will be placed in a disposal cell at the proposed Burro Canyon, Colorado, site. The US Department of Energy (DOE) anticipates the start of the first phase remedial action by the spring of 1995 under the direction of the DOE`s Uranium Mill Tailings Remedial Action (UMTRA) Project. The second phase of the UMTRA Project will evaluate ground water contamination. This baseline risk assessment is the first site-specific document for these sites under the Ground Water Project. It will help determine the compliance strategy for contaminated ground water at the site. In addition, surface water and sediment are qualitatively evaluated in this report.

  12. 40 CFR 61.154 - Standard for active waste disposal sites.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 9 2012-07-01 2012-07-01 false Standard for active waste disposal... for Asbestos § 61.154 Standard for active waste disposal sites. Each owner or operator of an active... visible emissions to the outside air from any active waste disposal site where asbestos-containing...

  13. 40 CFR 61.154 - Standard for active waste disposal sites.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 9 2014-07-01 2014-07-01 false Standard for active waste disposal... for Asbestos § 61.154 Standard for active waste disposal sites. Each owner or operator of an active... visible emissions to the outside air from any active waste disposal site where asbestos-containing...

  14. Preoperational test report, cross-site transfer water flush system (POTP-001)

    SciTech Connect

    Parsons, G.L.

    1998-02-20

    This report documents the results of the testing performed per POTP-001, for the Cross-Site Transfer Water Flush System. (HNF-1552, Rev. 0) The Flush System consists of a 47,000 gallon tank (302C), a 20 hp pump, two 498kW heaters, a caustic addition pump, various valves, instruments, and piping. The purpose of this system is to provide flush water at 140 F, 140gpm, and pH 11-12 for the Cross-Site Transfer System operation.

  15. Energy Efficiency, Water Efficiency, and Renewable Energy Site Assessment: Mendenhall Glacier Visitor Center, Juneau, Alaska

    SciTech Connect

    Salasovich, James; LoVullo, David; Kandt, Alicen

    2016-01-21

    This report summarizes results from the energy efficiency, water efficiency, and renewable energy site assessment of the Mendenhall Glacier Visitor Center and site in Juneau, Alaska. The assessment is an American Society of Heating, Refrigerating, and Air-Conditioning Engineers Level 2 audit and meets Energy Independence and Security Act requirements. A team led by the U.S. Department of Energy's National Renewable Energy Laboratory conducted the assessment with U.S. Forest Service personnel August 19-20, 2015, as part of ongoing efforts by USFS to reduce energy and water use.

  16. Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase

    SciTech Connect

    Sode, Olaseni; Voth, Gregory A.

    2014-12-14

    Hydrogenase enzymes are important because they can reversibly catalyze the production of molecular hydrogen. Proton transport mechanisms have been previously studied in residue pathways that lead to the active site of the enzyme via residues Cys299 and Ser319. The importance of this pathway and these residues has been previously exhibited through site-specific mutations, which were shown to interrupt the enzyme activity. It has been shown recently that a separate water channel (WC2) is coupled with electron transport to the active site of the [FeFe]-hydrogenase. The water-mediated proton transport mechanisms of the enzyme in different electronic states have been studied using the multistate empirical valence bond reactive molecular dynamics method, in order to understand any role WC2 may have in facilitating the residue pathway in bringing an additional proton to the enzyme active site. In a single electronic state A{sup 2−}, a water wire was formed through which protons can be transported with a low free energy barrier. The remaining electronic states were shown, however, to be highly unfavorable to proton transport in WC2. A double amino acid substitution is predicted to obstruct proton transport in electronic state A{sup 2-} by closing a cavity that could otherwise fill with water near the proximal Fe of the active site.

  17. 10 CFR 63.16 - Review of site characterization activities. 2

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... IN A GEOLOGIC REPOSITORY AT YUCCA MOUNTAIN, NEVADA Licenses Preapplication Review § 63.16 Review of... conduct of site characterization activities at the Yucca Mountain site, DOE shall report the nature and... activities at the Yucca Mountain site, NRC staff shall be permitted to visit and inspect the locations...

  18. 10 CFR 63.16 - Review of site characterization activities. 2

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... IN A GEOLOGIC REPOSITORY AT YUCCA MOUNTAIN, NEVADA Licenses Preapplication Review § 63.16 Review of... conduct of site characterization activities at the Yucca Mountain site, DOE shall report the nature and... activities at the Yucca Mountain site, NRC staff shall be permitted to visit and inspect the locations...

  19. 10 CFR 63.16 - Review of site characterization activities. 2

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... IN A GEOLOGIC REPOSITORY AT YUCCA MOUNTAIN, NEVADA Licenses Preapplication Review § 63.16 Review of... conduct of site characterization activities at the Yucca Mountain site, DOE shall report the nature and... activities at the Yucca Mountain site, NRC staff shall be permitted to visit and inspect the locations...

  20. 10 CFR 63.16 - Review of site characterization activities. 2

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... IN A GEOLOGIC REPOSITORY AT YUCCA MOUNTAIN, NEVADA Licenses Preapplication Review § 63.16 Review of... conduct of site characterization activities at the Yucca Mountain site, DOE shall report the nature and... activities at the Yucca Mountain site, NRC staff shall be permitted to visit and inspect the locations...

  1. 10 CFR 63.16 - Review of site characterization activities. 2

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... IN A GEOLOGIC REPOSITORY AT YUCCA MOUNTAIN, NEVADA Licenses Preapplication Review § 63.16 Review of... conduct of site characterization activities at the Yucca Mountain site, DOE shall report the nature and... activities at the Yucca Mountain site, NRC staff shall be permitted to visit and inspect the locations...

  2. Robotics and Automation Activities at the Savannah River Site: A Site Report for SUBWOG 39F

    SciTech Connect

    Teese, G.D.

    1995-09-28

    The Savannah River Site has successfully used robots, teleoperators, and remote video to reduce exposure to ionizing radiation, improve worker safety, and improve the quality of operations. Previous reports have described the use of mobile teleoperators in coping with a high level liquid waste spill, the removal of highly contaminated equipment, and the inspection of nuclear reactor vessels. This report will cover recent applications at the Savannah River, as well as systems which SRS has delivered to other DOE site customers.

  3. Baseline risk assessment of ground water contamination at the uranium mill tailings site near Durango, Colorado. Revision 1

    SciTech Connect

    1995-09-01

    For the UMTRA Project site located near Durango, Colorado (the Durango site), the Surface Project cleanup occurred from 1986 to 1991. An evaluation was made to determine whether exposure to ground water contaminated by uranium processing could affect people`s health. Exposure could occur from drinking water pumped from a hypothetical well drilled in the contaminated ground water area. In addition, environmental risks may result if plants or animals are exposed to contaminated ground water, or surface water that has mixed with contaminated ground water. This risk assessment report is the first site-specific document prepared for the UMTRA Ground Water Project at the Durango site. The results of this report and further site characterization of the Durango site will be used to determine what is necessary to protect public health and the environment, and to comply with the EPA standards.

  4. Unsaturated water flow at the Hanford site: a review of literature and annotated bibliography

    SciTech Connect

    Gee, G.W.; Heller, P.R.

    1985-05-01

    As an initial part of a performance assessment task for the Hanford Waste Management Plan, we have reviewed research done over a number of years on unsaturated water flow at the Hanford site near Richland, Washington. This work will be helpful in assessing the probability that water infiltrating the ground surface may eventually contribute to ground-water recharge at the site. Reports done primarily by Atlantic Richfield Hanford, Rockwell Hanford Operations, and Pacific Northwest Laboratory were reviewed for their pertinence to unsaturated water flow and specifically for information that could help resolve the question of whether recharge of the unconfined aquifer by natural precipitation (meteoric water) is occurring on the Hanford site and, if so, what are the expected ranges of recharge. The reports that we reviewed are primarily technical reports detailing the physical and hydrologic characteristics of soils and sediments at specific locations on the Hanford site, or describing studies that have either monitored or simulated such parameters as surface evaporation, soil moisture storage, and deep drainage (recharge). The appendix of this report provides abstracts and annotations on 24 key technical reports on subjects related to estimation of recharge at Hanford. 66 refs.

  5. Contaminants, water quality, and wildlife mortality on oil production sites in western South Dakota. Interim report

    SciTech Connect

    Henry, C.J.; Ruelle, R.

    1993-04-01

    The objectives of the study were to evaluate oil pits and other hazards at oil production sites to (1) document the magnitude of wildlife mortality due to exposure to oil and other chemicals, (2) determine the physical and toxic effects of oil pit contents on wildlife, and (3) identify methods to prevent sublethal and lethal impacts to wildlife. Pits at oil production sites in Fall River and Harding Counties of western South Dakota were surveyed for wildlife carcasses by searching the shorelines and raking underwater around the pit edges in April, July, and October 1992. In July, composite water and sediment samples were collected from 26 pits, and analyzed for oil and grease. Bioassays were conducted with two life stages of Hyalella azteca and Daphnia magna to determine pit water toxicity. Seed germination tests were conducted using radish seeds exposed to pit water. Oil and poor water quality appeared to be the primary causes of pit liquid toxicity.

  6. The homing endonuclease I-CreI uses three metals, one of which is shared between the two active sites.

    PubMed

    Chevalier, B S; Monnat, R J; Stoddard, B L

    2001-04-01

    Homing endonucleases, like restriction enzymes, cleave double-stranded DNA at specific target sites. The cleavage mechanism(s) utilized by LAGLIDADG endonucleases have been difficult to elucidate; their active sites are divergent, and only one low resolution cocrystal structure has been determined. Here we report two high resolution structures of the dimeric I-CreI homing endonuclease bound to DNA: a substrate complex with calcium and a product complex with magnesium. The bound metals in both complexes are verified by manganese anomalous difference maps. The active sites are positioned close together to facilitate cleavage across the DNA minor groove; each contains one metal ion bound between a conserved aspartate (Asp 20) and a single scissile phosphate. A third metal ion bridges the two active sites. This divalent cation is bound between aspartate residues from the active site of each subunit and is in simultaneous contact with the scissile phosphates of both DNA strands. A metal-bound water molecule acts as the nucleophile and is part of an extensive network of ordered water molecules that are positioned by enzyme side chains. These structures illustrate a unique variant of a two-metal endonuclease mechanism is employed by the highly divergent LAGLIDADG enzyme family.

  7. Dynamically achieved active site precision in enzyme catalysis.

    PubMed

    Klinman, Judith P

    2015-02-17

    CONSPECTUS: The grand challenge in enzymology is to define and understand all of the parameters that contribute to enzymes' enormous rate accelerations. The property of hydrogen tunneling in enzyme reactions has moved the focus of research away from an exclusive focus on transition state stabilization toward the importance of the motions of the heavy atoms of the protein, a role for reduced barrier width in catalysis, and the sampling of a protein conformational landscape to achieve a family of protein substates that optimize enzyme-substrate interactions and beyond. This Account focuses on a thermophilic alcohol dehydrogenase for which the chemical step of hydride transfer is rate determining across a wide range of experimental conditions. The properties of the chemical coordinate have been probed using kinetic isotope effects, indicating a transition in behavior below 30 °C that distinguishes nonoptimal from optimal C-H activation. Further, the introduction of single site mutants has the impact of either enhancing or eliminating the temperature dependent transition in catalysis. Biophysical probes, which include time dependent hydrogen/deuterium exchange and fluorescent lifetimes and Stokes shifts, have also been pursued. These studies allow the correlation of spatially resolved transitions in protein motions with catalysis. It is now possible to define a long-range network of protein motions in ht-ADH that extends from a dimer interface to the substrate binding domain across to the cofactor binding domain, over a distance of ca. 30 Å. The ongoing challenge to obtaining spatial and temporal resolution of catalysis-linked protein motions is discussed.

  8. Thermal regime of active layer at two lithologically contrasting sites on James Ross Island, Antarctic Peninsula.

    NASA Astrophysics Data System (ADS)

    Hrbáček, Filip; Nývlt, Daniel; Láska, Kamil

    2016-04-01

    Antarctic Peninsula region (AP) represents one of the most rapidly warming parts of our planet in the last 50 years. Despite increasing research activities along both western and eastern sides of AP in last decades, there is still a lot of gaps in our knowledge relating to permafrost, active layer and its thermal and physical properties. This study brings new results of active layer monitoring on James Ross Island, which is the largest island in northern AP. Its northern part, Ulu Peninsula, is the largest ice-free area (more than 200 km2) in the region. Due its large area, we focused this study on sites located in different lithologies, which would affect local thermal regime of active layer. Study site (1) at Abernethy Flats area (41 m a.s.l.) lies ~7 km from northern coast. Lithologically is formed by disintegrated Cretaceous calcareous sandstones and siltstones of the Santa Marta Formation. Study site (2) is located at the northern slopes of Berry Hill (56 m a.s.l.), about 0.4 km from northern coastline. Lithology is composed of muddy to intermediate diamictites, tuffaceous siltstones to fine grained sandstones of the Mendel Formation. Data of air temperature at 2 meters above ground and the active layer temperatures at 75 cm deep profiles were obtained from both sites in period 1 January 2012 to 31 December 2014. Small differences were found when comparing mean air temperatures and active temperatures at 5 and 75 cm depth in the period 2012-2014. While the mean air temperatures varied between -7.7 °C and -7.0 °C, the mean ground temperatures fluctuated between -6.6 °C and -6.1 °C at 5 cm and -6.9 °C and -6.0 °C at 75 cm at Abernethy Flats and Berry Hill slopes respectively. Even though ground temperature differences along the profiles weren't pronounced during thawing seasons, the maximum active layer thickness was significantly larger at Berry Hill slopes (80 to 82 cm) than at Abernethy Flats (52 to 64 cm). We assume this differences are affected by

  9. Ground-water monitoring compliance plan for the Hanford Site Solid Waste Landfill

    SciTech Connect

    Fruland, R.M.

    1986-10-01

    Washington state regulations required that solid waste landfill facilities have ground-water monitoring programs in place by May 27, 1987. This document describes the well locations, installation, characterization studies and sampling and analysis plan to be followed in implementing the ground-water monitoring program at the Hanford Site Solid Waste Landfill (SWL). It is based on Washington Administrative Code WAC 173-304-490. 11 refs., 19 figs., 4 tabs.

  10. The stable isotopes of site wide waters at an oil sands mine in northern Alberta, Canada

    NASA Astrophysics Data System (ADS)

    Baer, Thomas; Barbour, S. Lee; Gibson, John J.

    2016-10-01

    Oil sands mines have large disturbance footprints and contain a range of new landforms constructed from mine waste such as shale overburden and the byproducts of bitumen extraction such as sand and fluid fine tailings. Each of these landforms are a potential source of water and chemical release to adjacent surface and groundwater, and consequently, the development of methods to track water migration through these landforms is of importance. The stable isotopes of water (i.e. 2H and 18O) have been widely used in hydrology and hydrogeology to characterize surface water/groundwater interactions but have not been extensively applied in mining applications, or specifically to oil sands mining in northern Alberta. A prerequisite for applying these techniques is the establishment of a Local Meteoric Water Line (LMWL) to characterize precipitation at the mine sites as well as the development of a 'catalogue' of the stable water isotope signatures of various mine site waters. This study was undertaken at the Mildred Lake Mine Site, owned and operated by Syncrude Canada Ltd. The LMWL developed from 2 years (2009/2012) of sample collection is shown to be consistent with other LMWLs in western Canada. The results of the study highlight the unique stable water isotope signatures associated with hydraulically placed tailings (sand or fluid fine tailings) and overburden shale dumps relative to natural surface water and groundwater. The signature associated with the snow melt water on reclaimed landscapes was found to be similar to ground water recharge in the region. The isotopic composition of the shale overburden deposits are also distinct and consistent with observations made by other researchers in western Canada on undisturbed shales. The process water associated with the fine and coarse tailings streams has highly enriched 2H and 18O signatures. These signatures are developed through the non-equilibrium fractionation of imported fresh river water during evaporation from

  11. Confirmation of Europa's water vapor plume activity

    NASA Astrophysics Data System (ADS)

    Roth, Lorenz

    2013-10-01

    STIS spectral UV images of Jupiter's satellite Europa obtained during HST Cycle 20 revealed atomic H and O auroral emissions in intensity ratios which uniquely identify the source as electron impact excitation of water molecules above Europa's south pole and hypothesized to be associated with water vapor plumes as reported in Roth et al., Science, 2014. The plumes were detected when Europa was at apocenter on December 30/31, 2012. Two other sets of STIS observations when Europa was near pericenter did not show plume emission within the sensitivity of STIS. The plume variability is predicted to be correlated with Europa's distance from Jupiter in the observed way. However, the one plume detection at apocenter and the two non-detections near pericenter require confirmation. Therefore we request two visits of 5 orbits each to observe Europa at orbital positions of the predicted maximum plume activity {similar to the December 2012 STIS Europa visit} to provide confirmation of the initial STIS discovery and to consolidate the predicted geophysical variability pattern.

  12. Caffeine as an indicator of estrogenic activity in source water.

    PubMed

    Montagner, C C; Umbuzeiro, G A; Pasquini, C; Jardim, W F

    2014-08-01

    Caffeine has already been used as an indicator of anthropogenic impacts, especially the ones related to the disposal of sewage in water bodies. In this work, the presence of caffeine has been correlated with the estrogenic activity of water samples measured using the BLYES assay. After testing 96 surface water samples, it was concluded that caffeine can be used to prioritize samples to be tested for estrogenic activity in water quality programs evaluating emerging contaminants with endocrine disruptor activity.

  13. Evaluation of Hanford site water-table changes, 1980--1990

    SciTech Connect

    Newcomer, D.R.

    1990-11-01

    Irrigation applied west of the Hanford Site and wastewater management practices on the Hanford Site resulted in significant changes in the configuration of the water table between December 1979 and December 1989. In the Cold Creek Valley, located in the western part of the Hanford Site, the water table rose more than 3 m (9 ft) between December 1979 and December 1989. Since 1969, the water table in the Cold Creek Valley has been rising, primarily in response to irrigation practices in the Upper Cold Creek Valley. The largest areal changes have occurred in the vicinity of production facilities in the 200 Areas where ground-water mounds have developed since operations began in 1943. During the 1940s and 1950s, two ground-water mounds developed as a result of wastewater management practices in the 200 Areas, one beneath 216-U-10 Pond in the 200-West Area and one beneath 216-B-3 Pond near the 200-East Area. During the 1960s, the ground-water mounds grew moderately before reaching near-equilibrium conditions during the 1970s. During the 1980s (December 1979 to December 1989), stresses imposed on the unconfined aquifer caused recurrence of unsteady state conditions. In the 200-West Area, the water level declined more than 2.5 m (8 ft) between December 1979 and 1989. Most of the decline occurred after 1984, which correlates with a reduction in wastewater discharge caused by the decommissioning of 216-U-10 Pond in 1984. The decline in the water table occurred mostly in the area between the 200-West Area and the Yakima Ridge basalt, which outcrops above the water table to the south of the 200-West Area. 50 refs., 31 figs., 1 tab.

  14. Baseline risk assessment of ground water contamination at the Uranium Mill Tailings Site near Shiprock, New Mexico. Revision 1

    SciTech Connect

    Not Available

    1994-04-01

    This baseline risk assessment at the former uranium mill tailings site near Shiprock, New Mexico, evaluates the potential impact to public health or the environment resulting from ground water contamination at the former uranium mill processing site. The tailings and other contaminated material at this site were placed in an on-site disposal cell in 1986 through the US Department of Energy (DOE) Uranium Mill Tailings Remedial Action (UMTRA) Project. Currently, the UMTRA Project is evaluating ground water contamination. This risk assessment is the first document specific to this site for the Ground Water Project. There are no domestic or drinking water wells in the contaminated ground water of the two distinct ground water units: the contaminated ground water in the San Juan River floodplain alluvium below the site and the contaminated ground water in the terrace alluvium area where the disposal cell is located. Because no one is drinking the affected ground water, there are currently no health or environmental risks directly associated with the contaminated ground water. However, there is a potential for humans, domestic animals, and wildlife to the exposed to surface expressions of ground water in the seeps and pools in the area of the San Juan River floodplain below the site. For these reasons, this risk assessment evaluates potential exposure to contaminated surface water and seeps as well as potential future use of contaminated ground water.

  15. Lethal Factor Active-Site Mutations Affect Catalytic Activity In Vitro

    PubMed Central

    Hammond, S. E.; Hanna, P. C.

    1998-01-01

    The lethal factor (LF) protein of Bacillus anthracis lethal toxin contains the thermolysin-like active-site and zinc-binding consensus motif HEXXH (K. R. Klimpel, N. Arora, and S. H. Leppla, Mol. Microbiol. 13:1093–1100, 1994). LF is hypothesized to act as a Zn2+ metalloprotease in the cytoplasm of macrophages, but no proteolytic activities have been previously shown on any target substrate. Here, synthetic peptides are hydrolyzed by LF in vitro. Mass spectroscopy and peptide sequencing of isolated cleavage products separated by reverse-phase high-pressure liquid chromatography indicate that LF seems to prefer proline-containing substrates. Substitution mutations within the consensus active-site residues completely abolish all in vitro catalytic functions, as does addition of 1,10-phenanthroline, EDTA, and certain amino acid hydroxamates, including the novel zinc metalloprotease inhibitor ZINCOV. In contrast, the protease inhibitors bestatin and lysine CMK, previously shown to block LF activity on macrophages, did not block LF activity in vitro. These data provide the first direct evidence that LF may act as an endopeptidase. PMID:9573135

  16. Quality-Assurance Plan for Water-Quality Activities in the USGS Ohio Water Science Center

    USGS Publications Warehouse

    Francy, Donna S.; Shaffer, Kimberly H.

    2008-01-01

    In accordance with guidelines set forth by the Office of Water Quality in the Water Resources Discipline of the U.S. Geological Survey, a quality-assurance plan has been written for use by the Ohio Water Science Center in conducting water-quality activities. This quality-assurance plan documents the standards, policies, and procedures used by the Ohio Water Science Center for activities related to the collection, processing, storage, analysis, and publication of water-quality data. The policies and procedures documented in this quality-assurance plan for water-quality activities are meant to complement the Ohio Water Science Center quality-assurance plans for water-quality monitors, the microbiology laboratory, and surface-water and ground-water activities.

  17. Microbial activities and dissolved organic matter dynamics in oil-contaminated surface seawater from the Deepwater Horizon oil spill site.

    PubMed

    Ziervogel, Kai; McKay, Luke; Rhodes, Benjamin; Osburn, Christopher L; Dickson-Brown, Jennifer; Arnosti, Carol; Teske, Andreas

    2012-01-01

    The Deepwater Horizon oil spill triggered a complex cascade of microbial responses that reshaped the dynamics of heterotrophic carbon degradation and the turnover of dissolved organic carbon (DOC) in oil contaminated waters. Our results from 21-day laboratory incubations in rotating glass bottles (roller bottles) demonstrate that microbial dynamics and carbon flux in oil-contaminated surface water sampled near the spill site two weeks after the onset of the blowout were greatly affected by activities of microbes associated with macroscopic oil aggregates. Roller bottles with oil-amended water showed rapid formation of oil aggregates that were similar in size and appearance compared to oil aggregates observed in surface waters near the spill site. Oil aggregates that formed in roller bottles were densely colonized by heterotrophic bacteria, exhibiting high rates of enzymatic activity (lipase hydrolysis) indicative of oil degradation. Ambient waters surrounding aggregates also showed enhanced microbial activities not directly associated with primary oil-degradation (β-glucosidase; peptidase), as well as a twofold increase in DOC. Concurrent changes in fluorescence properties of colored dissolved organic matter (CDOM) suggest an increase in oil-derived, aromatic hydrocarbons in the DOC pool. Thus our data indicate that oil aggregates mediate, by two distinct mechanisms, the transfer of hydrocarbons to the deep sea: a microbially-derived flux of oil-derived DOC from sinking oil aggregates into the ambient water column, and rapid sedimentation of the oil aggregates themselves, serving as vehicles for oily particulate matter as well as oil aggregate-associated microbial communities.

  18. The yeast regulator of transcription protein Rtr1 lacks an active site and phosphatase activity.

    PubMed

    Xiang, Kehui; Manley, James L; Tong, Liang

    2012-07-10

    The activity of RNA polymerase II (Pol II) is controlled in part by the phosphorylation state of the C-terminal domain (CTD) of its largest subunit. Recent reports have suggested that yeast regulator of transcription protein, Rtr1, and its human homologue RPAP2, possess Pol II CTD Ser5 phosphatase activity. Here we report the crystal structure of Kluyveromyces lactis Rtr1, which reveals a new type of zinc finger protein and does not have any close structural homologues. Importantly, the structure does not show evidence of an active site, and extensive experiments to demonstrate its CTD phosphatase activity have been unsuccessful, suggesting that Rtr1 has a non-catalytic role in CTD dephosphorylation.

  19. Environmental Assessment of Ground Water Compliance at the Naturita, Colorado, UMTRA Project Site

    SciTech Connect

    2003-04-23

    This Environmental Assessment addresses the environmental effects of a proposed action and the no action alternative to comply with U.S. Environmental Protection Agency (EPA) ground water standards at the Naturita, Colorado, Uranium Mill Tailings Remedial Action Project site. In 1998, the U.S. Department of Energy (DOE) completed surface cleanup at the site and encapsulated the tailings in a disposal cell 15 miles northwest near the former town of Uravan, Colorado. Ground water contaminants of potential concern at the Naturita site are uranium and vanadium. Uranium concentrations exceed the maximum concentration limit (MCL) of 0.044 milligram per liter (mg/L). Vanadium has no MCL; however, vanadium concentrations exceed the EPA Region III residential risk-based concentration of 0.33 mg/L (EPA 2002). The proposed compliance strategy for uranium and vanadium at the Naturita site is no further remediation in conjunction with the application of alternate concentration limits. Institutional controls with ground water and surface water monitoring will be implemented for these constituents as part of the compliance strategy. This compliance strategy will be protective of human health and the environment. The proposed monitoring program will begin upon regulatory concurrence with the Ground Water Compliance Action Plan (DOE 2002a). Monitoring will consist of verifying that institutional controls remain in place, collecting ground water samples to verify that concentrations of uranium and vanadium are decreasing, and collecting surface water samples to verify that contaminant concentrations do not exceed a regulatory limit or risk-based concentration. If these criteria are not met, DOE would reevaluate the proposed action and determine the need for further National Environmental Policy Act documentation. No comments were received from the public during the public comment period. Two public meetings were held during this period. Minutes of these meetings are included as

  20. Principles of water oxidation and O2-based hydrocarbon transformation by multinuclear catalytic sites

    SciTech Connect

    Musaev, Djamaladdin G; Hill, Craig L; Morokuma, Keiji

    2014-10-28

    Abstract The central thrust of this integrated experimental and computational research program was to obtain an atomistic-level understanding of the structural and dynamic factors underlying the design of catalysts for water oxidation and selective reductant-free O2-based transformations. The focus was on oxidatively robust polyoxometalate (POM) complexes in which a catalytic active site interacts with proximal metal centers in a synergistic manner. Thirty five publications in high-impact journals arose from this grant. I. Developing an oxidatively and hydrolytically stable and fast water oxidation catalyst (WOC), a central need in the production of green fuels using water as a reductant, has proven particularly challenging. During this grant period we have designed and investigated several carbon-free, molecular (homogenous), oxidatively and hydrolytically stable WOCs, including the Rb8K2[{Ru4O4(OH)2(H2O)4}(γ-SiW10O36)2]·25H2O (1) and [Co4(H2O)2(α-PW9O34)2]10- (2). Although complex 1 is fast, oxidatively and hydrolytically stable WOC, Ru is neither abundant nor inexpensive. Therefore, development of a stable and fast carbon-free homogenous WOC, based on earth-abundant elements became our highest priority. In 2010, we reported the first such catalyst, complex 2. This complex is substantially faster than 1 and stable under homogeneous conditions. Recently, we have extended our efforts and reported a V2-analog of the complex 2, i.e. [Co4(H2O)2(α-VW9O34)2]10- (3), which shows an even greater stability and reactivity. We succeeded in: (a) immobilizing catalysts 1 and 2 on the surface of various electrodes, and (b) elucidating the mechanism of O2 formation and release from complex 1, as well as the Mn4O4L6 “cubane” cluster. We have shown that the direct O-O bond formation is the most likely pathway for O2 formation during water oxidation catalyzed by 1. II. Oxo transfer catalysts that contain two proximal and synergistically interacting redox active metal

  1. Estimations of the extent of migration of surficially applied water for various surface conditions near the potential repository perimeter; Yucca Mountain Site Characterization Project

    SciTech Connect

    Sobolik, S.R.; Fewell, M.E.

    1993-12-01

    The Yucca Mountain Site Characterization Project is studying Yucca Mountain in southwestern Nevada as a potential site for a high-level nuclear waste repository. Site characterization includes surface-based and underground testing. Analyses have been performed to support the design of site characterization activities so to have minimal impact on the ability of the site to isolate waste, and on tests performed as part of the characterization process. Two examples of site characterization activities are the construction of an Exploratory Studies Facility, which may include underground shafts, drifts, and ramps, and surface-based testing activities, which may require borehole drilling, excavation of test pits, and road watering for dust control. The information in this report pertains to two-dimensional numerical calculations modeling the movement of surficially applied water and the potential effects of that water on repository performance and underground experiments. This document contains information that has been used in preparing recommendations for two Yucca Mountain Site Characterization Project documents: Appendix I of the Exploratory Studies Facility Design Requirements document, and the Surface-Based Testing Field Requirements Document.

  2. Chemical reactions of uranium in ground water at a mill tailings site

    NASA Astrophysics Data System (ADS)

    Abdelouas, A.; Lutze, W.; Nuttall, E.

    1998-11-01

    We studied soil and ground water samples from the tailings disposal site near Tuba City, AZ, located on Navajo sandstone, in terms of uranium adsorption and precipitation. The uranium concentration is up to 1 mg/l, 20 times the maximum concentration for ground water protection in the United States. The concentration of bicarbonate (HCO 3-) in the ground water increased from ≤7×10 -4 M, the background concentration, to 7×10 -3 M. Negatively charged uranium carbonate complexes prevail at high carbonate concentrations and uranium is not adsorbed on the negatively charged mineral surfaces. Leaching experiments using contaminated and uncontaminated sandstone and 1 N HCl show that adsorption of uranium from the ground water is negligible. Batch adsorption experiments with the sandstone and ground water at 16°C, the in situ ground water temperature, show that uranium is not adsorbed, in agreement with the results of the leaching experiments. Adsorption of uranium at 16°C is observed when the contaminated ground water is diluted with carbonate-free water. The observed increase in pH from 6.7 to 7.3 after dilution is too small to affect adsorption of uranium on the sandstone. Storage of undiluted ground water to 24°C, the temperature in the laboratory, causes coprecipitation of uranium with aragonite and calcite. Our study provides knowledge of the on-site uranium chemistry that can be used to select the optimum ground water remediation strategy. We discuss our results in terms of ground water remediation strategies such as pump and treat, in situ bioremediation, steam injection, and natural flushing.

  3. AN OPEN-SOURCE COMMUNITY WEB SITE TO SUPPORT GROUND-WATER MODEL TESTING

    EPA Science Inventory

    A community wiki wiki web site has been created as a resource to support ground-water model development and testing. The Groundwater Gourmet wiki is a repository for user supplied analytical and numerical recipes, how-to's, and examples. Members are encouraged to submit analyti...

  4. Environmental Assessment of Ground Water Compliance at the Durango, Colorado, UMTRA Project Site

    SciTech Connect

    N /A

    2002-11-29

    The U.S. Department of Energy (DOE) is proposing a ground water compliance strategy for the Uranium Mill Tailings Remedial Action (UMTRA) Project site near Durango, Colorado. DOE has prepared this environmental assessment to provide the public with information concerning the potential effects of this proposed strategy.

  5. INTRINSIC BIOREMEDIATION OF FUEL CONTAMINATION IN GROUND WATER AT A FIELD SITE

    EPA Science Inventory

    A spill of gasoline occurred at an automobile service station in 1986. Oily phase residue in the subsurface has continued for the past 8 yr to release water soluble fuel hydrocarbons into the aquifer. The site was characterized for implementation of intrinsic remediation. The sub...

  6. SITE PROGRAM DEMONSTRATION OF THE SBP TECHNOLOGIES, INC. MEMBRANE FILTRATION SYSTEM ON CREOSOTE-CONTAMINATED WATER

    EPA Science Inventory

    The formed-in-place, membrane filtration system offered by SBP Technologies, Inc. of Stone Mountain, Georgia was evaluated by the U.S. EPA Superfund Inno- vative Technology Evaluation (SITE) Program. The evaluation lasted six days; ap- proximately 1000 gallons per day of water co...

  7. Multi-site evaluation of APEX for water quality: 1. Best professional judgement parameterization

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The Agricultural and Policy Environmental Extender (APEX) model is capable of estimating edge-of-field water, nutrient, and sediment transport and is used to assess the environmental impacts of management practices. The current practice is to fully calibrate the model for each site simulation, a tas...

  8. SITE CHARACTERIZATION TO SUPPORT MODEL DEVELOPMENT FOR CONTAMINANTS IN GROUND WATER

    EPA Science Inventory

    The development of conceptual and predictive models is an important tool to guide site characterization in support of monitoring contaminants in ground water. The accuracy of predictive models is limited by the adequacy of the input data and the assumptions made to constrain mod...

  9. Analysis of Removal Alternatives for the Heavy Water Components Test Reactor at the Savannah River Site

    SciTech Connect

    Owen, M.B.

    1996-08-01

    This engineering study was developed to evaluate different options for decommissioning of the Heavy Water Components Test Reactor (HWCTR) at the Savannah River Site. This document will be placed in the DOE-SRS Area reading rooms for a period of 30 days in order to obtain public input to plans for the demolition of HWCTR.

  10. EPA Proposes Additional Water Line Connections for Groundwater Contamination at Tinkham Garage Superfund Site in Londonderry, NH

    EPA Pesticide Factsheets

    The U.S. EPA in consultation with NHDES, is proposing additional connections to an existing water line for residents whose wells have been found to have contamination and whom live northeast section of the Tinkham Garage Superfund Site (Site).

  11. Application of passive sampling for measuring dissolved concentrations of organic contaminants in the water column at three marine superfund sites

    EPA Science Inventory

    At contaminated sediment sites, including U.S. EPA Superfund sites, it is critical to measure water column concentrations of freely dissolved contaminants to understand the complete exposure of aquatic organisms to hydrophobic organic contaminants (HOCs). However, historically a...

  12. Water-quality and geophysical data for three study sites within the Williston Basin and Prairie Pothole Region

    USGS Publications Warehouse

    Preston, Todd M.; Smith, Bruce D.; Thamke, Joanna N.; Chesley-Preston, Tara

    2012-01-01

    This report is a data release for water geochemical sample analyses and geophysical surveys for three sites within the Williston Basin and Prairie Pothole Region of Montana and North Dakota. The data collection sites and procedures are described.

  13. Ground-water flow model of the Boone formation at the Tar Creek superfund site, Oklahoma and Kansas

    USGS Publications Warehouse

    Reed, T.B.; Czarnecki, John B.

    2006-01-01

    Extensive mining activities conducted at the Tar Creek Superfund site, one of the largest Superfund sites in the United States, pose substantial health and safety risks. Mining activities removed a total of about 6,000,000 tons of lead and zinc by 1949. To evaluate the effect of this mining on the ground-water flow, a MODFLOW 2000 digital model has been developed to simulate ground-water flow in the carbonate formations of Mississippian age underlying the Tar Creek Superfund site. The model consists of three layers of variable thickness and a grid of 580 rows by 680 columns of cells 164 feet (50 meters) on a side. Model flux boundary conditions are specified for rivers and general head boundaries along the northern boundary of the Boone Formation. Selected cells in layer 1 are simulated as drain cells. Model calibration has been performed to minimize the difference between simulated and observed water levels in the Boone Formation. Hydraulic conductivity values specified during calibration range from 1.3 to 35 feet per day for the Boone Formation with the larger values occurring along the axis of the Miami Syncline where horizontal anisotropy is specified as 10 to 1. Hydraulic conductivity associated with the mine void is set at 50,000 feet per day and a specific yield of 1.0 is specified to represent that the mine void is filled completely with water. Residuals (the difference between measured and simulated ground-water altitudes) has a root-mean-squared value of 8.53 feet and an absolute mean value of 7.29 feet for 17 observed values of water levels in the Boone Formation. The utility of the model for simulating and evaluating the possible consequences of remediation activities has been demonstrated. The model was used to simulate the emplacement of chat (mine waste consisting of fines and fragments of chert) back into the mine. Scenarios using 1,800,000 and 6,500,000 tons of chat were run. Hydraulic conductivity was reduced from 50,000 feet per day to 35 feet

  14. Binding site identification and role of permanent water molecule of PIM-3 kinase: A molecular dynamics study.

    PubMed

    Ul-Haq, Zaheer; Gul, Sana; Usmani, Saman; Wadood, Abdul; Khan, Waqasuddin

    2015-11-01

    The kinome is a protein kinase complement of the human genome, categorized as serine/threonine and tyrosine kinases. These kinases catalyze phosphorylation reaction by using ATP as phosphoryl donor. Proviral Integration Site for Moloney Murine Leukemia Virus (PIM) kinase encodes serine/threonine protein kinases that recognized as proto-oncogene, responsible for rapid growth of cancerous cells. It is implicated in cell survival and function via cell cycle progression and its metabolism. PIM-3, sub-member of PIM kinases is a proto-oncogene, its overexpression inhibits apoptosis, and results in progression of hepatocellular carcinoma. PIM-3 is considered as a promising drug target but attempts to develop its specific inhibitors is slowed down due to the lack of 3D structure by any experimental technique. In silico techniques generally facilitate scientist to explore hidden structural features in order to improve drug discovery. In the present study, homology modeling, molecular docking and MD simulation techniques were utilized to explore the structure and dynamics of PIM-3 kinase. Induction of water molecules during molecular docking simulation explored differences in the hinge region between PIM-1 and PIM-3 kinases that may be responsible for specificity. Furthermore, role of water molecules in the active site was also explored via radial distribution function (RDF) after a 10 ns molecular dynamics (MD) simulations. Generated RDF plots exhibited the importance of water for inhibitor binding through their bridging capability that links the ligand with binding site residues.

  15. May 2011 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    SciTech Connect

    2011-12-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 16-17, 2011, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location Johnson Artesian WL. Samples were analyzed by the U.S. Environmental Protection Agency (EPA) Radiation&Indoor Environments National Laboratory in Las Vegas, Nevada. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry, and for tritium using the conventional method. Tritium was not measured using the enrichment method because the EPA laboratory no longer offers that service. Results of this monitoring at the Rio Blanco site demonstrate that groundwater and surface water outside the boundaries have not been affected by project-related contaminants.

  16. Elevated Ground Temperatures at Crude Oil Spill Sites due to Microbial Activity

    NASA Astrophysics Data System (ADS)

    Warren, E.; Bekins, B. A.

    2009-12-01

    Crude oil near the water table at spill sites near Bemidji and Cass Lake, Minnesota, has been undergoing aerobic and anaerobic biodegradation for decades. Because the reactions are exothermic, biodegradation of oil compounds will produce measurable temperature increases if heat is generated faster than it is transported away from the oil body. Subsurface temperatures at the two spill sites were measured with thermistors at multiple depths in groundwater monitoring wells and water-filled tubes in the vadose zone. Temperatures in selected wells were measured in the summer of 2007, 2008, and 2009. At the Bemidji site, temperatures measured in the summer ranged from a low of 6.3 oC in the background well to a high of 9.2 oC within wells in the oil-contaminated zone. From year to year, background minimum temperatures were constant within +/- 0.05 oC while maximum temperatures within the oil-contaminated zone remained within +/- 0.25 oC. Seasonal changes in temperature in the plume as measured by data loggers exceeded 4 oC, which was far greater than the year to year change in the summer measurements. Seasonal variability was greater near the water table than at depth. It is unclear whether this variability is due to subsurface hydrology or microbial activity. Temperatures in the vadose zone were warmer near and down-gradient from the oil body compared to the background indicating the heat from the oil and plume propagates up and outward into the vadose zone. At the Cass Lake site, summer temperatures in 2009 were 6.4 oC in the background and 11.5 oC in wells near the oil. Reaction rates inferred from chemical data were compared to heating required in a 3-dimension energy transport model of the subsurface. The increased temperature compared well to the expected heat production from biodegradation reactions occurring in the oil and plume. Results indicate that microbial activity in sediments contaminated with crude oil undergoing biodegradation can be detected using

  17. Controls on water drop volume at speleothem drip sites: An experimental study

    NASA Astrophysics Data System (ADS)

    Collister, Christopher; Mattey, David

    2008-09-01

    SummaryThe growth of speleothem under cave drip sites is closely related to local climate events and provides an increasingly important means of deciphering past climate change. Since calcite precipitation rates depend on the water discharge at the drip site, the drip rate and mass of water drops detaching from stalactites are fundamental controls on speleothem growth and we have investigated factors that control the volume of water drops in this environment. The classical investigations on the volume of falling water drops are reviewed but there have been no measurements of the volume of drops detaching from curved surfaces equivalent to tips of stalactites. In this study we have used an acoustic drop counting method to measure the variation of the mass of water drops detaching from tubes (representing 'soda straw' stalactites) and artificial stalactites with spherical terminations (representing massive stalactites) as a function of tube radius or surface curvature and the drip rate. The experimental method corroborates classical measurements of drop mass detaching from tubes and, for massive stalactites, we derive a simple empirical relationship between drop mass and radius of curvature of a spherical surface, based on 100,000 drop counts from artificial stalactites with 19 different radii ranging from 3.6 mm to 500 mm. The results of this study allow discharge to be calculated from drip interval measurements and provide a quantitative basis for theoretical modelling of speleothem growth from drip sites.

  18. Near-surface water balance of an undeveloped upland site in west-central Florida

    USGS Publications Warehouse

    Bidlake, W.R.; Boetcher, P.F.

    1996-01-01

    A study was made to examine the near-surface water balance of a dry prairie site in west-central Florida. The water balance, which was defined on a unit area basis and for a depth of 5.5 meters, was described for the period June 1991 to October 1992. Precipitation during the 498 days of field measurements was 2,245 millimeters. Evapotranspiration, the second largest component, was 1,419 millimeters. Water yield was 808 millimeters and the change in soil water storage was 19 millimeters. Computed vertical water flux was less than 4 percent of evapotranspiration because of the small hydraulic conductivity of a clay layer that began at a depth of 5.5 meters.

  19. Colloids in water from a subsurface fracture in granitic rock, Grimsel Test Site, Switzerland

    NASA Astrophysics Data System (ADS)

    Degueldre, C.; Baeyens, B.; Goerlich, W.; Riga, J.; Verbist, J.; Stadelmann, P.

    1989-03-01

    The characterization of colloids from the Grimsel Test Site granitic groundwater has been carried out after concentrating the natural colloids by diaultrafiltration in situ and in the laboratory. A 2-year-long study has shown little variation in the chemistry of the Grimsel water ( T = 285 K, pH = 9.6) and a calculation of saturation indices indicates that quartz and fluorite are slightly oversaturated in the in situ conditions ( log P( CO2)/ atm. = -5.5). Scanning electron microscope (SEM) investigations indicate a colloid concentration of approximately 10 10 particles (40 to 1000 nm) per litre. On the basis electron spectroscopy for chemical analysis (ESCA), transmission electron microscopy (TEM), energy dispersive X-ray spectrometry (EDS), electron energy loss spectrometry (EELS), and laser microprobe mass analysis (LAMMA), the particles are a mixture of organic (C, N, O, (S)) and inorganic (Si, Ca, S and to a lesser extent Mg, Sr and Ba) materials. The alpha specific activity in the colloidal phase is less than 0.5 mBq · 1 -1. The mode of formation is discussed together with the size distribution and the concentration.

  20. Plant cover and water balance in gravel admixtures at an arid waste-burial site

    SciTech Connect

    Waugh, W.J.; Thiede, M.E.; Bates, D.J.

    1994-07-01

    Isolation of radioactive waste buried in unsaturated zones will require long-term control of recharge and erosion. Soil covers control recharge at and sites by storing rainwater close enough to the surface to be removed by evapotranspiration. Surface layers of rock or gravel control erosion at sites with sparse vegetation, but can also alter plant habitat and cause recharge through interred waste. As an alternative, gravel mixed into the uppermost soil law may control erosion ever the king-term better than surface gravel layers. Gravel admixtures may also not influence plant establishment or sod water balance in waste-site covers. The interactive effects of gravel admixture concentration, vegetation, and precipitation on soil water content and plant cover were measured at the US Department of Energy`s Hanford Site. Results support use of a combination of vegetation and gravel admixtures for erosion control. Vegetation seasonally depleted root zone water storage to about 6.5 volume % regardless of precipitation amount or the presence of gravel admixture amendments. In contrast, yearly increases in soil water storage as deep as 225 cm in plots without vegetation may be a leading indicator of recharge. The composition and abundance of vegetation changed over time and with precipitation amount, but was not influenced by gravel amendments. Seeded wheatgrasses [Agropyron sibericum Wilde and Agropyron dasystachyum (Hook.) Scribn.] established only when irrigated with twice average precipitation, but persisted after the irrigation ceased. Cheatgrass (Bromus tectorum L.) and Russian thistle (Salsola kali L.) colonized areas receiving both irrigation and ambient precipitation. Stands with wheatgrasses extracted water more rapidly and depleted soil water to lower levels than cheatgrass-dominated stands. Increases in gravel cover and near-surface gravel concentrations after 5 yr were evidence of the formation of a protective gravel veneer. 44 refs., 8 figs., 2 tabs.

  1. Measuring and computing natural ground-water recharge at sites in south-central Kansas

    USGS Publications Warehouse

    Sophocleous, M.A.; Perry, C.A.

    1987-01-01

    To measure the natural groundwater recharge process, two sites in south-central Kansas were instrumented with sensors and data microloggers. The atmospheric-boundary layer and the unsaturated and saturated soil zones were monitored as a single regime. Direct observations also were used to evaluate the measurements. Atmospheric sensors included an anemometer, a tipping-bucket rain gage, an air-temperature thermistor, a relative-humidity probe, a net radiometer, and a barometric-pressure transducer. Sensors in the unsaturated zone consisted of soil-temperature thermocouples, tensiometers coupled with pressure transducers and dial gages, gypsum blocks, and a neutron-moisture probe. The saturated-zone sensors consisted of a water-level pressure transducer, a conventional float gage connected to a variable potentiometer, soil thermocouples, and a number of multiple-depth piezometers. Evaluation of the operation of these sensors and recorders indicates that certain types of equipment, such as pressure transducers, are very sensitive to environmental conditions. A number of suggestions aimed at improving instrumentation of recharge investigations are outlined. Precipitation and evapotranspiration data, taken together with soil moisture profiles and storage changes, water fluxes in the unsaturated zone and hydraulic gradients in the saturated zone at various depths, soil temperature, water table hydrographs, and water level changes in nearby wells, describe the recharge process. Although the two instrumented sites are located in sand-dune environments in area characterized by a shallow water table and a sub-humid continental climate, a significant difference was observed in the estimated total recharge. The estimates ranged from less than 2.5 mm at the Zenith site to approximately 154 mm at the Burrton site from February to June 1983. The principal reasons that the Burrton site had more recharge than the Zenith site were more precipitation, less evapotranspiration, and a

  2. THE IMPACT OF GROUND WATER-SURFACE WATER INTERACTIONS ON CONTAMINANT TRANSPORT AT CONTAMINATED SITES

    EPA Science Inventory

    The purpose of this document is to provide an overview of the dynamics of chemical processes that govern contaminant transport and speciation during water exchange across the GW/SW transition zone. A conceptual model of the GW/SW transition zone is defined to serve as a starting...

  3. Study plan for urban stream indicator sites of the National Water-Quality Assessment Program

    USGS Publications Warehouse

    Lopes, T.J.; Price, C.V.

    1997-01-01

    Urban Indicator Sites are one component of the U.S. Geological Survey?s National Water- Quality Assessment (NAWQA) Program. The objectives of monitoring at the Urban Indicator Sites are to: (1) characterize stream quality from drainage basins with predominantly residential and commercial land use, and (2) determine which selected natural and human factors most strongly affect stream quality. Urban Indicator Sites will be distributed across the United States in settings with statistically different climate and in metropolitan areas that have a population of 250,000 or more. Multiple sites in the same climatic setting will have a range in population density. Ideally, Urban Indicator Sites will monitor drainage basins that have only residential and commercial land use, are 50 square kilometers or larger, are in the same physiographic setting as other Indicator Sites, have sustained flow, and overlap other NAWQA study components. Ideal drainage basins will not have industrial or agricultural land use and will not have point-source-contamination discharges. Stream quality will be characterized by collecting and analyzing samples of streamflow, bed sediment, and tissue of aquatic organisms for selected constituents. Factors affecting stream quality will be determined by statistical analysis of ancillary data associated with Urban Indicator Sites and stream-quality samples.

  4. Nuclear Site Security in the Event of Terrorist Activity

    SciTech Connect

    Thomson, M.L.; Sims, J.

    2008-07-01

    This paper, presented as a poster, identifies why ballistic protection should now be considered at nuclear sites to counter terrorist threats. A proven and flexible form of multi purpose protection is described in detail with identification of trial results that show its suitability for this role. (authors)

  5. Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization.

    PubMed

    Michel, Julien; Tirado-Rives, Julian; Jorgensen, William L

    2009-10-28

    A strategy in drug design is to consider enhancing the affinity of lead molecules with structural modifications that displace water molecules from a protein binding site. Because success of the approach is uncertain, clarification of the associated energetics was sought in cases where similar structural modifications yield qualitatively different outcomes. Specifically, free-energy perturbation calculations were carried out in the context of Monte Carlo statistical mechanics simulations to investigate ligand series that feature displacement of ordered water molecules in the binding sites of scytalone dehydratase, p38-alphaMAP kinase, and EGFR kinase. The change in affinity for a ligand modification is found to correlate with the ease of displacement of the ordered water molecule. However, as in the EGFR example, the binding affinity may diminish if the free-energy increase due to the removal of the bound water molecule is not more than compensated by the additional interactions of the water-displacing moiety. For accurate computation of the effects of ligand modifications, a complete thermodynamic analysis is shown to be needed. It requires identification of the location of water molecules in the protein-ligand interface and evaluation of the free-energy changes associated with their removal and with the introduction of the ligand modification. Direct modification of the ligand in free-energy calculations is likely to trap the ordered molecule and provide misleading guidance for lead optimization.

  6. Water balance at a low-level radioactive-waste disposal site

    USGS Publications Warehouse

    Healy, R.W.; Gray, J.R.; De Vries, G. M.; Mills, P.C.

    1989-01-01

    The water balance at a low-level radioactive-waste disposal site in northwestern Illinois was studied from July 1982 through June 1984. Continuous data collection allowed estimates to be made for each component of the water-balance equation independent of other components. The average annual precipitation was 948 millimeters. Average annual evapotranspiration was estimated at 637 millimeters, runoff was 160 millimeters, change in water storage in a waste-trench cover was 24 millimeters, and deep percolation was 208 millimeters. The magnitude of the difference between precipitation and all other components (81 millimeters per year) indicates that, in a similar environment, the water-budget method would be useful in estimating evapotranspiration, but questionable for estimation of other components. Precipitation depth and temporal distribution had a very strong effect on all other components of the water-balance equation. Due to the variability of precipitation from year to year, it appears that two years of data are inadequate for characterization of the long-term average water balance at the site.

  7. Molecular simulation study of water--methanol mixtures in activated carbon pores

    SciTech Connect

    Shevade, Abhijit V.; Jiang, Shaoyi; Gubbins, Keith E.

    2000-10-22

    We report a theoretical study of the adsorption behavior of water--methanol mixtures in slit activated carbon micropores. The adsorption isotherms are obtained for a pore of width 2 nm at a temperature of 298 K from grand canonical ensemble Monte Carlo simulations. The water molecules are modeled using the four point transferable intermolecular potential functions (TIP4P) and methanol by the optimized potentials for liquid simulations (OPLS). Carboxyl (COOH) groups are used as active sites on a structured carbon surface. The effect of the relative contributions from dispersion and hydrogen bonding interactions of adsorbates, and of the chemical activation of adsorbents on adsorption behavior is investigated. The adsorption of the mixture components in activated carbon pores occurs by continuous filling, without the sharp capillary condensation observed in graphite pores. Water is preferentially adsorbed over methanol in activated carbon pores for a wide range of pressures, except at lower pressures. The hydrophilic nature of activated carbon pores results in the complexation of both water and methanol molecules with the active sites on the surfaces, leading to bulklike water behavior over the entire pore width. Solvation forces are also calculated as a function of pore size. The negative values found for the solvation force for all pore sizes reflect the hydrophilic interactions of the mixtures with the activated carbon surfaces. {copyright} 2000 American Institute of Physics [S0021-9606(00)51339-7

  8. Airborne Laser Bathymetry for Documentation of Submerged Archaeological Sites in Shallow Water

    NASA Astrophysics Data System (ADS)

    Doneus, M.; Miholjek, I.; Mandlburger, G.; Doneus, N.; Verhoeven, G.; Briese, Ch.; Pregesbauer, M.

    2015-04-01

    Knowledge of underwater topography is essential to the understanding of the organisation and distribution of archaeological sites along and in water bodies. Special attention has to be paid to intertidal and inshore zones where, due to sea-level rise, coastlines have changed and many former coastal sites are now submerged in shallow water. Mapping the detailed inshore topography is therefore important to reconstruct former coastlines, identify sunken archaeological structures and locate potential former harbour sites. However, until recently archaeology has lacked suitable methods to provide the required topographical data of shallow underwater bodies. Our research shows that airborne topo-bathymetric laser scanner systems are able to measure surfaces above and below the water table over large areas in high detail using very short and narrow green laser pulses, even revealing sunken archaeological structures in shallow water. Using an airborne laser scanner operating at a wavelength in the green visible spectrum (532 nm) two case study areas in different environmental settings (Kolone, Croatia, with clear sea water; Lake Keutschach, Austria, with turbid water) were scanned. In both cases, a digital model of the underwater topography with a planimetric resolution of a few decimeters was measured. While in the clear waters of Kolone penetration depth was up to 11 meters, turbid Lake Keutschach allowed only to document the upper 1.6 meters of its underwater topography. Our results demonstrate the potential of this technique to map submerged archaeological structures over large areas in high detail providing the possibility for systematic, large scale archaeological investigation of this environment.

  9. Preliminary siting activities for new waste handling facilities at the Idaho National Engineering Laboratory

    SciTech Connect

    Taylor, D.D.; Hoskinson, R.L.; Kingsford, C.O.; Ball, L.W.

    1994-09-01

    The Idaho Waste Processing Facility, the Mixed and Low-Level Waste Treatment Facility, and the Mixed and Low-Level Waste Disposal Facility are new waste treatment, storage, and disposal facilities that have been proposed at the Idaho National Engineering Laboratory (INEL). A prime consideration in planning for such facilities is the selection of a site. Since spring of 1992, waste management personnel at the INEL have been involved in activities directed to this end. These activities have resulted in the (a) identification of generic siting criteria, considered applicable to either treatment or disposal facilities for the purpose of preliminary site evaluations and comparisons, (b) selection of six candidate locations for siting,and (c) site-specific characterization of candidate sites relative to selected siting criteria. This report describes the information gathered in the above three categories for the six candidate sites. However, a single, preferred site has not yet been identified. Such a determination requires an overall, composite ranking of the candidate sites, which accounts for the fact that the sites under consideration have different advantages and disadvantages, that no single site is superior to all the others in all the siting criteria, and that the criteria should be assigned different weighing factors depending on whether a site is to host a treatment or a disposal facility. Stakeholder input should now be solicited to help guide the final selection. This input will include (a) siting issues not already identified in the siting, work to date, and (b) relative importances of the individual siting criteria. Final site selection will not be completed until stakeholder input (from the State of Idaho, regulatory agencies, the public, etc.) in the above areas has been obtained and a strategy has been developed to make a composite ranking of all candidate sites that accounts for all the siting criteria.

  10. Baseline risk assessment of ground water contamination at the uranium mill tailings site Salt Lake City, Utah

    SciTech Connect

    Not Available

    1994-09-01

    This baseline risk assessment of groundwater contamination at the uranium mill tailings site near Salt Lake City, Utah, evaluates potential public health or environmental impacts resulting from ground water contamination at the former uranium ore processing site. The tailings and other contaminated material at this site were placed in a disposal cell located at Clive, Utah, in 1987 by the US Department of Energy`s Uranium Mill Tailings Remedial Action (UMTRA) Project. The second phase of the UMTRA Project is to evaluate residual ground water contamination at the former uranium processing site, known as the Vitro processing site. This risk assessment is the first site-specific document under the Ground Water Project. It will help determine the appropriate remedial action for contaminated ground water at the site.

  11. Effects of selected sources of contamination on ground-water quality at seven sites in Connecticut

    USGS Publications Warehouse

    Handman, Elinor H.; Bingham, James W.

    1980-01-01

    The introduction of contaminants has altered the quality of ground water at several places in Connecticut. This investigation of the hydrogeologic environment and the quality of water in stratified-drift aquifers underlying seven probable contaminant sources in Connecticut shows some effects at each site. Water from test wells downgradient from septage-disposal facilities in Old Saybrook and Clinton contains elevated concentrations of sodium, chloride, manganese, iron, detergent (as MBAS), dissolved organic carbon, and some trace metals. The effects are most pronounced at shallow depths close to the septage lagoons, where concentrations of some constituents exceed Connecticut Department of Health drinking water standards. Fly-ash disposal at Wallingford has contributed chromium, manganese, and dissolved organic carbon to water in the underlying aquifer, but the low hydraulic conductivity of the fine-grained surficial materials have kept effects to a minimum. Road salt leached from a storage area in the Tylerville section of Haddam has increased the sodium and chloride concentrations in ground water to the extent that it is unsuitable for drinking water. The effect diminishes in wells 1000 feet downgradient from the storage site. Water from some wells adjacent to landfills in Bristol and Southington has elevated sodium, chloride, manganese, and dissolved organic carbon concentrations, and samples from two wells near industrial-sludge disposal pits in the Bristol landfill contain cyanide and phenols. Gasoline odor is present in water samples from a test well 175 feet from a ruptured buried tank in Fairfield. The gasoline odor from this well was also detectable during well construction and sampling.

  12. Revealing the nature of the active site on the carbon catalyst for C-H bond activation.

    PubMed

    Sun, XiaoYing; Li, Bo; Su, Dangsheng

    2014-09-28

    A reactivity descriptor for the C-H bond activation on the nanostructured carbon catalyst is proposed. Furthermore the calculations reveal that the single ketone group can be an active site in ODH reaction.

  13. Cellular Active N-Hydroxyurea FEN1 Inhibitors Block Substrate Entry to the Active Site

    PubMed Central

    Exell, Jack C.; Thompson, Mark J.; Finger, L. David; Shaw, Steven J.; Debreczeni, Judit; Ward, Thomas A.; McWhirter, Claire; Siöberg, Catrine L. B.; Martinez Molina, Daniel; Mark Abbott, W.; Jones, Clifford D.; Nissink, J. Willem M.; Durant, Stephen T.; Grasby, Jane A.

    2016-01-01

    The structure-specific nuclease human flap endonuclease-1 (hFEN1) plays a key role in DNA replication and repair and may be of interest as an oncology target. We present the first crystal structure of inhibitor-bound hFEN1 and show a cyclic N-hydroxyurea bound in the active site coordinated to two magnesium ions. Three such compounds had similar IC50 values but differed subtly in mode of action. One had comparable affinity for protein and protein–substrate complex and prevented reaction by binding to active site catalytic metal ions, blocking the unpairing of substrate DNA necessary for reaction. Other compounds were more competitive with substrate. Cellular thermal shift data showed engagement of both inhibitor types with hFEN1 in cells with activation of the DNA damage response evident upon treatment. However, cellular EC50s were significantly higher than in vitro inhibition constants and the implications of this for exploitation of hFEN1 as a drug target are discussed. PMID:27526030

  14. Geochemical monitoring of thermal waters in Slovenia: relationships to seismic activity.

    PubMed

    Zmazek, B; Italiano, F; Zivcić, M; Vaupotic, J; Kobal, I; Martinelli, G

    2002-12-01

    Thermally anomalous fluids released in seismic areas in Slovenia were the subjects of geochemical monitoring. Thermal waters were surveyed from the seismically active area of Posocje (Bled and Zatolmin; NW Slovenia) and from Rogaska Slatina in eastern Slovenia. Continuous monitoring of geochemical parameters (radon concentration, electrical conductivity, and water temperature) was performed with discrete gas sampling for their (3)He/(4)He ratio. The observed values were correlated with meteorological parameters (rainfall, barometric pressure and air temperature) and with seismic activity. Only a few earthquakes occurred in the vicinity of the measuring sites during the monitoring period. Nevertheless, changes in radon concentration, water temperature, electrical conductivity and helium isotopic ratio were detected at the three thermal springs in the periods preceding the earthquakes. A close correlation was also observed of both water temperature and electrical conductivity with the Earth tide, making the observations in the selected sites a promising tool for addressing the widely debated question of earthquake prediction.

  15. Active Layer and Moisture Measurements for Intensive Site 0 and 1, Barrow, Alaska

    DOE Data Explorer

    John Peterson

    2015-04-17

    These are measurements of Active Layer Thickness collected along several lines beginning in September, 2011 to the present. The data were collected at several time periods along the Site0 L2 Line, the Site1 AB Line, and an ERT Monitoring Line near Area A in Site1.

  16. Identification of promiscuous ene-reductase activity by mining structural databases using active site constellations

    PubMed Central

    Steinkellner, Georg; Gruber, Christian C.; Pavkov-Keller, Tea; Binter, Alexandra; Steiner, Kerstin; Winkler, Christoph; Łyskowski, Andrzej; Schwamberger, Orsolya; Oberer, Monika; Schwab, Helmut; Faber, Kurt; Macheroux, Peter; Gruber, Karl

    2014-01-01

    The exploitation of catalytic promiscuity and the application of de novo design have recently opened the access to novel, non-natural enzymatic activities. Here we describe a structural bioinformatic method for predicting catalytic activities of enzymes based on three-dimensional constellations of functional groups in active sites (‘catalophores’). As a proof-of-concept we identify two enzymes with predicted promiscuous ene-reductase activity (reduction of activated C–C double bonds) and compare them with known ene-reductases, that is, members of the Old Yellow Enzyme family. Despite completely different amino acid sequences, overall structures and protein folds, high-resolution crystal structures reveal equivalent binding modes of typical Old Yellow Enzyme substrates and ligands. Biochemical and biocatalytic data show that the two enzymes indeed possess ene-reductase activity and reveal an inverted stereopreference compared with Old Yellow Enzymes for some substrates. This method could thus be a tool for the identification of viable starting points for the development and engineering of novel biocatalysts. PMID:24954722

  17. Baseline risk assessment of ground water contamination at the uranium mill tailings site near Canonsburg, Pennsylvania. Revision 1

    SciTech Connect

    1995-11-01

    For the UMTRA Project site located near Canonsburg, Pennsylvania (the Canonsburg site), the Surface Project cleanup occurred from 1983 to 1985, and involved removing the uranium processing mill tailings and radioactively contaminated soils and materials from their original locations and placing them in a disposal cell located on the former Canonsburg uranium mill site. This disposal cell is designed to minimize radiation emissions and further contamination of ground water beneath the site. The Ground Water Project will evaluate the nature and the extent of ground water contamination resulting from uranium processing at the former Canonsburg uranium mill site, and will determine a ground water strategy for complying with the US Environmental Protection Agency`s (EPA) ground water standards established for the UMTRA Project. For the Canonsburg site, an evaluation was made to determine whether exposure to ground water contaminated by uranium processing could affect people`s health. This risk assessment report is the first site-specific document prepared for the UMTRA Ground Water Project at the Canonsburg site. The results of this report and further site characterization of the Canonsburg site will be used to determine how to protect public health and the environment, and how to comply with the EPA standards.

  18. Characterization of the Dielectric Constant in the Trichoderma reesei Cel7B Active Site.

    PubMed

    Song, Xiangfei; Wang, Yefei; Zhang, Shujun; Yan, Shihai; Li, Tong; Yao, Lishan

    2015-07-27

    An attempt is made to evaluate the dielectric constant of the Trichoderma reesei Cel7B active site. Through kinetic measurements, the pKa value of the catalytic acid E201 is determined. Mutations (away from E201) with net charge changes are introduced to perturb the E201 pKa. It is shown that the mutation with a +1 charge change (including G225R, G230R, and A335R) decreases the pKa of E201, whereas the mutation with a -1 charge change (including Q149E, A222D, G225D, and G230D) increases the pKa. This effect is consistent with the electrostatic interaction between the changed charge and the E201 side chain. The fitting of the experimental data yields an apparent dielectric constant of 25-80. Molecular dynamics simulations with explicit water molecules indicate that the high solvent accessibility of the active site contributes largely to the high dielectric constant. ONIOM calculations show that high dielectric constant benefits the catalysis through decreasing the energy of the transition state relative to that of the enzyme substrate complex.

  19. Key to GHG fluxes from organic soils: site characteristics, agricultural practices or water table management?

    NASA Astrophysics Data System (ADS)

    Tiemeyer, Bärbel

    2015-04-01

    Drained peatlands are hotspots of greenhouse gas (GHG) emissions. Agriculture is the major land use type for peatlands in Germany and other European countries, but strongly varies in its intensity regarding the groundwater level and the agricultural management. Although the mean annual water table depth is sometimes proposed as an overall predictor for GHG emissions, there is a strong variability of its effects on different peatlands. Furthermore, re-wetting measures generally decrease carbon dioxide emissions, but may strongly increase methane emissions. We synthesized 250 annual GHG budgets for 120 different sites in 13 German peatlands. Carbon dioxide (net ecosystem exchange and ecosystem respiration), nitrous oxide and methane fluxes were measured with transparent and opaque manual chambers. Land management ranged from very intensive use with arable land or grassland with up to five cuts per year to partially or completely re-wetted peatlands. Besides the GHG fluxes, biomass yield, fertilisation, groundwater level, climatic data, vegetation composition and soil properties were measured. Overall, we found a large variability of the total GHG budget ranging from small uptakes to extremely high emissions (> 70 t CO2-equivalents/(ha yr)). At nearly all sites, carbon dioxide was the major component of the GHG budget. Site conditions, especially the nitrogen content of the unsaturated zone and the intra-annual water level distribution, controlled the GHG emissions of the agricultural sites. Although these factors are influenced by natural conditions (peat type, regional hydrology), they could be modified by an improved water management. Agricultural management such as the number of cuts had only a minor influence on the GHG budgets. At the level of individual peatlands, higher water levels always decreased carbon dioxide emissions. In nearly all cases, the trade-off between reduced carbon dioxide and increased methane emissions turned out in favour of the re

  20. The controlled relay of multiple protons required at the active site of nitrogenase.

    PubMed

    Dance, Ian

    2012-07-07

    The enzyme nitrogenase, when reducing natural and unnatural substrates, requires large numbers of protons per chemical catalytic cycle. The active face of the catalytic site (the FeMo-cofactor, FeMo-co) is situated in a protein domain which is largely hydrophobic and anhydrous, and incapable of serial provision of multiple protons. Through detailed analysis of the high quality protein crystal structures available the characteristics of a chain of water molecules leading from the protein surface to a key sulfur atom (S3B) of FeMo-co are described. The first half of the water chain from the surface inwards is branched, slightly variable, and able to accommodate exogenous small molecules: this is dubbed the proton bay. The second half, from the proton bay to S3B, is comprised of a single chain of eight hydrogen bonded water molecules. This section is strictly conserved, and is intimately involved in hydrogen bonds with homocitrate, an essential component that chelates Mo. This is the proton wire, and a detailed Grotthuss mechanism for serial translocation of protons through this proton wire to S3B is proposed. This controlled serial proton relay from the protein surface to S3B is an essential component of the intramolecular hydrogenation paradigm for the complete chemical mechanisms of nitrogenase. Each proton reaching S3B, instigated by electron transfer to FeMo-co, becomes a hydrogen atom that migrates to other components of the active face of FeMo-co and to bound substrates and intermediates, allowing subsequent multiple proton transfers along the proton wire. Experiments to test the proposed mechanism of proton supply are suggested. The water chain in nitrogenase is comparable with the purported proton pumping pathway of cytochrome c oxidase.

  1. Summary of inorganic compositional data for groundwater, soil-water, and surface-water samples collected at the Headgate Draw subsurface drip irrigation site, Johnson County, Wyoming

    USGS Publications Warehouse

    Geboy, Nicholas J.; Engle, Mark A.; Schroeder, Karl T.; Zupancic, John W.

    2011-01-01

    As part of a 5-year project on the impact of subsurface drip irrigation (SDI) application of coalbed-methane (CBM) produced waters, water samples were collected from the Headgate Draw SDI site in the Powder River Basin, Wyoming, USA. This research is part of a larger study to understand short- and long-term impacts on both soil and water quality from the beneficial use of CBM waters to grow forage crops through use of SDI. This document provides a summary of the context, sampling methodology, and quality assurance and quality control documentation of samples collected prior to and over the first year of SDI operation at the site (May 2008-October 2009). This report contains an associated database containing inorganic compositional data, water-quality criteria parameters, and calculated geochemical parameters for samples of groundwater, soil water, surface water, treated CBM waters, and as-received CBM waters collected at the Headgate Draw SDI site.

  2. Summary of Inorganic Compositional Data for Groundwater, Soil-Water, and Surface-Water Samples at the Headgate Draw Subsurface Drip Irrigation Site

    SciTech Connect

    Geboy, Nicholas J.; Engle, Mark A.; Schroeder, Karl T.; Zupanic, John W.

    2007-01-01

    As part of a 5-year project on the impact of subsurface drip irrigation (SDI) application of coalbed-methane (CBM) produced waters, water samples were collected from the Headgate Draw SDI site in the Powder River Basin, Wyoming, USA. This research is part of a larger study to understand short- and long-term impacts on both soil and water quality from the beneficial use of CBM waters to grow forage crops through use of SDI. This document provides a summary of the context, sampling methodology, and quality assurance and quality control documentation of samples collected prior to and over the first year of SDI operation at the site (May 2008-October 2009). This report contains an associated database containing inorganic compositional data, water-quality criteria parameters, and calculated geochemical parameters for samples of groundwater, soil water, surface water, treated CBM waters, and as-received CBM waters collected at the Headgate Draw SDI site.

  3. Are nest sites actively chosen? Testing a common assumption for three non-resource limited birds

    NASA Astrophysics Data System (ADS)

    Goodenough, A. E.; Elliot, S. L.; Hart, A. G.

    2009-09-01

    Many widely-accepted ecological concepts are simplified assumptions about complex situations that remain largely untested. One example is the assumption that nest-building species choose nest sites actively when they are not resource limited. This assumption has seen little direct empirical testing: most studies on nest-site selection simply assume that sites are chosen actively (and seek explanations for such behaviour) without considering that sites may be selected randomly. We used 15 years of data from a nestbox scheme in the UK to test the assumption of active nest-site choice in three cavity-nesting bird species that differ in breeding and migratory strategy: blue tit ( Cyanistes caeruleus), great tit ( Parus major) and pied flycatcher ( Ficedula hypoleuca). Nest-site selection was non-random (implying active nest-site choice) for blue and great tits, but not for pied flycatchers. We also considered the relative importance of year-specific and site-specific factors in determining occupation of nest sites. Site-specific factors were more important than year-specific factors for the tit species, while the reverse was true for pied flycatchers. Our results show that nest-site selection, in birds at least, is not always the result of active choice, such that choice should not be assumed automatically in studies of nesting behaviour. We use this example to highlight the need to test key ecological assumptions empirically, and the importance of doing so across taxa rather than for single "model" species.

  4. Technical procedures for water resources: Volume 4, Deaf Smith County site, Texas: Environmental Field Program: Final draft

    SciTech Connect

    Not Available

    1987-08-01

    This volume contains Technical Procedures pursuant to the water Resources Site Study Plan: including Collection, Preservation, and Shipment of Ground-Water Samples; Inventory Current Water Use and Estimating Projected Water Use; Estimation of Precipitation Depth, Duration, Frequence; Estimation of Probable Maximum Precipitation; Calculation of Floodplains.

  5. Status of the ground water flow model for the UMTRA Project, Shiprock, New Mexico, site

    SciTech Connect

    Not Available

    1995-01-01

    A two-dimensional numerical model was constructed for the alluvial aquifer in the area of the Uranium Mill Tailings Remedial Action (UMTRA) Project Shiprock, New Mexico, site. This model was used to investigate the effects of various hydrologic parameters on the evolution of the ground water flow field. Results of the model are useful for defining uncertainties in the site conceptual model and suggesting data collection efforts to reduce these uncertainties. The computer code MODFLOW was used to simulate the two-dimensional flow of ground water in the alluvium. The escarpment was represented as a no-flow boundary. The San Juan River was represented with the MODFLOW river package. A uniform hydraulic conductivity distribution with the value estimated by the UMTRA Project Technical Assistance Contractor (TAC) and a uniform recharge distribution was used. Infiltration from the flowing artesian well was represented using the well package. The ground water flow model was calibrated to ground water levels observed in April 1993. Inspection of hydrographs shows that these levels are representative of typical conditions at the site.

  6. Processing Tritiated Water at the Savannah Rivver Site: A Production Scale Demonstration

    SciTech Connect

    Sessions, K

    2004-11-04

    The Palladium Membrane Reactor (PMR) process was installed in the Tritium Facilities at the Savannah River Site to perform a production-scale demonstration for the recovery of tritium from tritiated water adsorbed on molecular sieve (zeolite). Unlike the current recovery process that utilizes magnesium, the PMR offers a means to process tritiated water in a more cost effective and environmentally friendly manner. The design and installation of the large-scale PMR process was part of a collaborative effort between the Savannah River Site and Los Alamos National Laboratory. The PMR process operated at the Savannah River Site between May 2001 and April 2003. During the initial phase of operation the PMR processed thirty-four kilograms of tritiated water from the Princeton Plasma Physics Laboratory. The water was processed in fifteen separate batches to yield approximately 34,400 liters (STP) of hydrogen isotopes. Each batch consisted of round-the-clock operations for approximately nine days. In April 2003 the reactor's palladium-silver membrane ruptured resulting in the shutdown of the PMR process. Reactor performance, process performance and operating experiences have been evaluated and documented. A performance comparison between PMR and current magnesium process is also documented.

  7. Geohydrology and ground-water quality at selected sites in Meade County, Kentucky, 1987-88

    USGS Publications Warehouse

    Mull, D.S.; Alexander, A.G.; Schultz, P.E.

    1989-01-01

    Meade County in north-central Kentucky is about 305 sq mi in size, and is underlain by thick beds of limestone and dolomite which are the principal sources of drinking water for about 8 ,500 residents. About half the area contains mature, karst terrain with abundant sinkholes, springs, and caves. Because of this karst terrain, groundwater is susceptible to rapid changes in water quality and contamination from human sources. Thirty-seven wells and 12 springs were selected as sampling points to characterize groundwater quality in the area. Water was analyzed for major anions and cations, nitrates, trace elements, and organic compounds. Water from selected sites was also analyzed for fecal species of coliform streptococci bacteria and total coliform content. Except for fluoride and lead, the water quality was within the range expected for carbonate aquifers.The fluoride content was significantly higher in water from wells than in water from springs. Concentrations of detectable lead ranged from 10 to 50 micrograms/L and had a median value of 7.5 microg/L. Dissolved solids ranged from 100 to 2,200 mg/L and the median value was 512 mg/L. Hardness ranged from 20 to 1,100 mg/L and the median value was 290 mg/L. Organic compounds detected by the gas chromatographic/flame ionization detection scans, did not indicate evidence of concentrations in excess of the current Federal drinking water standards. Analysis for specific organic compounds indicated that the presence of these compounds was associated with agricultural chemicals, usually pesticides. Total coliform content exceeded drinking water standards in water from all 12 springs and in 18 wells. Statistical analysis of the groundwater quality data indicates that the variance of the concentrations of fluoride and chloride may be attributed to the site type. There was strong correlation between hardness and dissolved solids, hardness and sulfate, and sulfate and dissolved solids. No apparent relations were detected

  8. May 2013 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    SciTech Connect

    2013-10-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 14-16, 2013, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location CER #1 Black Sulphur. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry and for tritium using the conventional and enrichment methods.

  9. Seabed characteristics from ambient noise at three shallow water sites in Northern Indian Ocean.

    PubMed

    Sanjana, M C; Latha, G; Mahanty, M M

    2013-10-01

    Ambient noise measurements at three sites along the Indian continental shelf, with different water column and seabed, are analyzed to derive vertical directionality and further estimation of seabed characteristics. Directionality pattern is interpreted using features in the sound speed profiles, in terms of noise notch, surface duct, surface bottom reflections, direct arrivals, and high bottom loss arrivals. Reflection loss estimated from the field directionality is seen to be the same for a particular site and gives an estimate of the sea bottom. Seabed characteristics such as critical angle and reflection coefficient from field directionality correlate well with theoretical estimation using ground truths.

  10. Sensitivity of water balance and water use efficiency to climate and crop type at an agricultural site

    NASA Astrophysics Data System (ADS)

    Brümmer, C.; Kutsch, W. L.

    2012-04-01

    The effects of climatic factors and crop type on evapotranspiration (E) and water use efficiency (WUE) were analyzed using tower-based eddy-covariance data for an agricultural site in Thuringia, Germany. During ten years of observation, winter wheat (five times) and winter barley (once) were alternately planted with potato (twice), rapeseed (once) and sugar beet (once). The seasonal pattern of E was closely linked to growing-season length and rainfall distribution. Although annual precipitation (P) was highly variable (380-700 mm), minimum annual E was not less than 250 mm and was limited to 380 mm. However, a positive correlation between annual P and annual E with E plateauing at high P as was usually found at forest, grassland and peatland sites could not be observed. Winter wheat tended to limit annual E and was found to be relatively insensitive with changing annual P and solar irradiance. A hysteretic relationship between monthly mean values of E and net radiation (Rn) indicated that E lagged behind the typical seasonal progression of Rn. Annual means of daytime dry-foliage Priestley-Taylor α much less than the theoretical maximum of 1.26 for extensive well-watered vegetation showed that E on an annual basis was either water limited and/or stomatal control of transpiration must have been prevalent. In all years, a strong linear correlation between monthly mean values of gross primary production and E resulted in WUE being relatively constant between 2.5 and 3.5 g C kg-1 H2O. Our study shows that crop selection has a major impact on the water balance of an agricultural site with the influence of climatic factors being significantly different than usually found for natural ecosystems.

  11. Early Site Permit Demonstration Program: Recommendations for communication activities and public participation in the Early Site Permit Demonstration Program

    SciTech Connect

    Not Available

    1993-01-27

    On October 24, 1992, President Bush signed into law the National Energy Policy Act of 1992. The bill is a sweeping, comprehensive overhaul of the Nation`s energy laws, the first in more than a decade. Among other provisions, the National Energy Policy Act reforms the licensing process for new nuclear power plants by adopting a new approach developed by the US Nuclear Regulatory Commission (NRC) in 1989, and upheld in court in 1992. The NRC 10 CFR Part 52 rule is a three-step process that guarantees public participation at each step. The steps are: early site permit approval; standard design certifications; and, combined construction/operating licenses for nuclear power reactors. Licensing reform increases an organization`s ability to respond to future baseload electricity generation needs with less financial risk for ratepayers and the organization. Costly delays can be avoided because design, safety and siting issues will be resolved before a company starts to build a plant. Specifically, early site permit approval allows for site suitability and acceptability issues to be addressed prior to an organization`s commitment to build a plant. Responsibility for site-specific activities, including communications and public participation, rests with those organizations selected to try out early site approval. This plan has been prepared to assist those companies (referred to as sponsoring organizations) in planning their communications and public involvement programs. It provides research findings, information and recommendations to be used by organizations as a resource and starting point in developing their own plans.

  12. Structural characterization of single nucleotide variants at ligand binding sites and enzyme active sites of human proteins

    PubMed Central

    Yamada, Kazunori D.; Nishi, Hafumi; Nakata, Junichi; Kinoshita, Kengo

    2016-01-01

    Functional sites on proteins play an important role in various molecular interactions and reactions between proteins and other molecules. Thus, mutations in functional sites can severely affect the overall phenotype. Progress of genome sequencing projects has yielded a wealth of information on single nucleotide variants (SNVs), especially those with less than 1% minor allele frequency (rare variants). To understand the functional influence of genetic variants at a protein level, we investigated the relationship between SNVs and protein functional sites in terms of minor allele frequency and the structural position of variants. As a result, we observed that SNVs were less abundant at ligand binding sites, which is consistent with a previous study on SNVs and protein interaction sites. Additionally, we found that non-rare variants tended to be located slightly apart from enzyme active sites. Examination of non-rare variants revealed that most of the mutations resulted in moderate changes of the physico-chemical properties of amino acids, suggesting the existence of functional constraints. In conclusion, this study shows that the mapping of genetic variants on protein structures could be a powerful approach to evaluate the functional impact of rare genetic variations. PMID:27924270

  13. Permafrost and active layer monitoring in the maritime Antarctic: Preliminary results from CALM sites on Livingston and Deception Islands

    USGS Publications Warehouse

    Ramos, M.; Vieira, G.; Blanco, J.J.; Hauck, C.; Hidalgo, M.A.; Tome, D.; Nevers, M.; Trindade, A.

    2007-01-01

    This paper describes results obtained from scientific work and experiments performed on Livingston and Deception Islands. Located in the South Shetland Archipelago, these islands have been some of the most sensitive regions over the last 50 years with respect to climate change with a Mean Annual Air Temperature (MAAT) close to -2 ºC. Three Circumpolar Active Layer Monitoring (CALM) sites were installed to record the thermal regime and the behaviour of the active layer in different places with similar climate, but with different soil composition, porosity, and water content. The study’s ultimate aim is to document the influence of climate change on permafrost degradation. Preliminary results, obtained in 2006, on maximum active-layer thickness (around 40 cm in the CALM of Deception Island), active layer temperature evolution, snow thickness, and air temperatures permit early characterization of energy exchange mechanisms between the ground and the atmosphere in the CALM-S sites.

  14. Water-level altitudes and continuous and discrete water quality at and near an aquifer storage and recovery site, Bexar, Atascosa, and Wilson Counties, Texas, June 2004-September 2011

    USGS Publications Warehouse

    Crow, Cassi L.

    2012-01-01

    The U.S. Geological Survey (USGS), in cooperation with the San Antonio Water System (SAWS), collected data during 2004–11 to characterize the quality of native groundwater from the San Antonio segment of the Edwards aquifer (hereinafter, Edwards aquifer) and preinjection and postinjection water from the Carrizo aquifer (informal name commonly applied to the upper part of the Carrizo-Wilcox aquifer in the area) at and near an aquifer storage and recovery (ASR) site in Bexar, Atascosa, and Wilson Counties, Texas. Daily mean water-level altitude, water temperature, and specific conductance were measured continuously in a monitoring well on the ASR site to determine how injection and withdrawal at the ASR site might affect local groundwater. Groundwater samples were collected and analyzed for selected physical properties and constituents to characterize the quality of native groundwater from the Edwards aquifer and preinjection and postinjection water from the Carrizo aquifer near the ASR site to provide a better understanding of possible changes in the quality of groundwater near an active ASR site that might result from the mixing of water from different aquifers. During injection periods, the water-level altitude in the monitoring well generally increased as the amount of water being injected into all wells at the ASR site increased and decreased as the amount of water being injected into all wells at the ASR site decreased. During withdrawal periods, the water-level altitude in the monitoring well generally increased as the total volume of water being withdrawn from all wells at the ASR site decreased and generally decreased as the total volume of water being withdrawn from all wells increased. Daily mean water temperature fluctuated by less than 1 degree Celsius and was determined to be independent of injection or withdrawal conditions at the ASR site. Changes in daily mean specific-conductance values measured at four depths in the monitoring well at the ASR

  15. Lamellipodial actin mechanically links myosin activity with adhesion site formation

    PubMed Central

    Giannone, Gregory; Dubin-Thaler, Benjamin; Rossier, Olivier; Cai, Yunfei; Chaga, Oleg; Jiang, Guoying; Beaver, William; Döbereiner, Hans-Günther; Freund, Yoav; Borisy, Gary; Sheetz, Michael P.

    2013-01-01

    Summary Cell motility proceeds by cycles of edge protrusion, adhesion and retraction. Whether these functions are coordinated by biochemical or biomechanical processes is unknown. We find that myosin II pulls the rear of the lamellipodial actin network, causing upward bending, edge retraction and initiation of new adhesion sites. The network then separates from the edge and condenses over the myosin. Protrusion resumes as lamellipodial actin regenerates from the front and extends rearward until it reaches newly assembled myosin, initiating the next cycle. Upward bending, observed by evanescence and electron microscopy, results in ruffle formation when adhesion strength is low. Correlative fluorescence and electron microscopy shows that the regenerating lamellipodium forms a cohesive, separable layer of actin above the lamellum. Thus, actin polymerization periodically builds a mechanical link, the lamellipodium, connecting myosin motors with the initiation of adhesion sites, suggesting that the major functions driving motility are coordinated by a biomechanical process. PMID:17289574

  16. Molybdenum and tungsten oxygen transferases--and functional diversity within a common active site motif.

    PubMed

    Pushie, M Jake; Cotelesage, Julien J; George, Graham N

    2014-01-01

    Molybdenum and tungsten are the only second and third-row transition elements with a known function in living organisms. The molybdenum and tungsten enzymes show common structural features, with the metal being bound by a pyranopterin-dithiolene cofactor called molybdopterin. They catalyze a variety of oxygen transferase reactions coupled with two-electron redox chemistry in which the metal cycles between the +6 and +4 oxidation states usually with water, either product or substrate, providing the oxygen. The functional roles filled by the molybdenum and tungsten enzymes are diverse; for example, they play essential roles in microbial respiration, in the uptake of nitrogen in green plants, and in human health. Together, the enzymes form a superfamily which is among the most prevalent known, being found in all kingdoms of life. This review discusses what is known of the active site structures and the mechanisms, together with some recent insights into the evolution of these important enzyme systems.

  17. Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure

    PubMed Central

    O'Farrell, Paul A.; Joshua-Tor, Leemor

    2006-01-01

    Bleomycin hydrolase (BH) is a hexameric papain family cysteine protease which is involved in preparing peptides for antigen presentation and has been implicated in tumour cell resistance to bleomycin chemotherapy. Structures of active-site mutants of yeast BH yielded unexpected results. Replacement of the active-site asparagine with alanine, valine or leucine results in the destabilization of the histidine side chain, demonstrating unambiguously the role of the asparagine residue in correctly positioning the histidine for catalysis. Replacement of the histidine with alanine or leucine destabilizes the asparagine position, indicating a delicate arrangement of the active-site residues. In all of the mutants, the C-terminus of the protein, which lies in the active site, protrudes further into the active site. All mutants were compromised in their catalytic activity. The structures also revealed the importance of a tightly bound water molecule which stabilizes a loop near the active site and which is conserved throughout the papain family. It is displaced in a number of the mutants, causing destabilization of this loop and a nearby loop, resulting in a large movement of the active-site cysteine. The results imply that this water molecule plays a key structural role in this family of enzymes. PMID:17007609

  18. Hydrogeology and ground-water quality at a land reclamation site, Neshaminy State Park, Pennsylvania

    USGS Publications Warehouse

    Blickwedel, Ray S.; Linn, Jeff H.

    1987-01-01

    Analyses of ground-water samples collected after the first two sludge applications (120 tons per acre and 450 tons per acre), indicate that no significant change occurred in the chemistry of the samples from the Trenton gravel, whereas organic nitrogen increased temporarily in ground water from the dredge spoil 6 months after the larger of the two sludge applications, but quickly returned to background levels. The lack of chemical change with time in the ground water implies either that little of the more than 100 inches of precipitation that fell from April 1983 through March 1985 reached the water table or, more likely, that a mechanism exists beneath the soil- factory site that retards or prevents the downard migration of contaminants.

  19. Geohydrology and water quality in the vicinity of the Gettysburg National Military Park and Eisenhower National Historic Site, Pennsylvania

    USGS Publications Warehouse

    Becher, A.E.

    1989-01-01

    Wells in the Gettysburg National Military Park, Eisenhower National Historic Site, and Gettysburg Borough supply drinking water to the park staff and, annually, more than 1 million visitors. These water resources are vulnerable to contamination by pollutants from activities in and outside park boundaries. This report describes the hydrogeology and ground-water quality of a 12-square- mile area of the park and vicinity, and outlines a ground-water-quality monitoring plan. A network of about 60 wells was established to measure water levels and sample ground water. Water levels were measured continuously in five wells and synchronously in the larger network during spring and fall of 1986. Shale, siltstone, and sandstone of the Gettysburg Formation, intruded by a 2,000-foot-thick diabase sill in the southeastern part of the area, form the bedrock framework. These rocks are tilted about 20 degrees to the northwest. Two vertical diabase dikes extend northward and form barriers to ground-water flow in the Gettysburg Formation. The regolith and fractures near the surface in both the Gettysburg Formation rocks and diabase sill contain a shallow water-table aquifer. In the Gettysburg Formation, the shallow aquifer is connected to deep, discontinuous, tabular aquifers in beds prone to fracturing. Ground-water flow tends to be anisotropic parallel to the strike of bedding both in the shallow and deep aquifers to the Gettysburg Formation. Pumping affects water levels in wells more that 2,500 feet apart along strike. Calcium, magnesium, and bicarbonate are the dominant constituents in the ground water. Concentrations of dissolved solids are about 40 percent greater in water from the Gettysburg Formation than water from the diabase. Concentrations of nontoxic elements, iron and manganese, slightly exceed U.S. Environmental Protection Agency (USEPA) secondary maximum contaminant levels in 4 of 21 samples. No concentration of the toxic trace elements arsenic, barium, cadmium

  20. Evidence for sites of methylmercury formation in a flowing water system: impact of anthropogenic barriers and water management.

    PubMed

    Pizarro-Barraza, Claudia; Gustin, Mae Sexauer; Peacock, Mary; Miller, Matthieu

    2014-04-15

    The Truckee River, California-Nevada, USA is impacted by mercury (Hg) contamination associated with legacy gold mining. In this work, we investigated the potential for hot-spots of methylmercury (MeHg) formation in the river. Mercury concentrations in multiple media were also used to assess the impacts of anthropogenic barriers, restoration, and water management in this flowing water ecosystem. Water samples were collected on a seasonal time step over 3 years, and analyzed for total Hg (THg) and MeHg concentrations, along with a variety of other water quality parameters. In addition, we measured THg and MeHg in sediments, THg in macroinvertebrates, and THg and δ(15)N and δ(13)C concentrations in fish. Differences in stable isotopes and Hg concentrations in fish were applied to understand the mobility of fish in the river. Mercury concentrations of specific macroinvertebrate species were used to identify sites of MeHg production. In general, loads of Hg and nutrients in the river reach above the Reno-Sparks metropolitan area were similar to that reported for pristine systems, while within and below the city, water quality impacts were observed. Fish isotope data showed that in the city reach food resources were different than those upriver and downriver. Based on Hg and isotope data, mobility of the fish in the river is impacted by anthropogenic obstructions and water manipulation. Below the city, particle bound Hg, derived from the legacy mining, continues to be input to the Truckee River. This Hg is deposited in riparian habitats and areas of river restoration, where it is methylated and becomes available to biota. During spring, when flows were highest, MeHg produced and stored in the sediments is mobilized and transported downriver. Fish and macroinvertebrate concentrations increased downriver indicating passive uptake from water. The information presented here could be useful for those doing river restoration and water manipulation in mercury contaminated

  1. Structural mechanism of RuBisCO activation by carbamylation of the active site lysine.

    PubMed

    Stec, Boguslaw

    2012-11-13

    Ribulose 1,5-bisphosphate carboxylase/oxygenase (RuBisCO) is a crucial enzyme in carbon fixation and the most abundant protein on earth. It has been studied extensively by biochemical and structural methods; however, the most essential activation step has not yet been described. Here, we describe the mechanistic details of Lys carbamylation that leads to RuBisCO activation by atmospheric CO(2). We report two crystal structures of nitrosylated RuBisCO from the red algae Galdieria sulphuraria with O(2) and CO(2) bound at the active site. G. sulphuraria RuBisCO is inhibited by cysteine nitrosylation that results in trapping of these gaseous ligands. The structure with CO(2) defines an elusive, preactivation complex that contains a metal cation Mg(2+) surrounded by three H(2)O/OH molecules. Both structures suggest the mechanism for discriminating gaseous ligands by their quadrupole electric moments. We describe conformational changes that allow for intermittent binding of the metal ion required for activation. On the basis of these structures we propose the individual steps of the activation mechanism. Knowledge of all these elements is indispensable for engineering RuBisCO into a more efficient enzyme for crop enhancement or as a remedy to global warming.

  2. Using Unnatural Amino Acids to Probe the Energetics of Oxyanion Hole Hydrogen Bonds in the Ketosteroid Isomerase Active Site

    PubMed Central

    2015-01-01

    Hydrogen bonds are ubiquitous in enzyme active sites, providing binding interactions and stabilizing charge rearrangements on substrate groups over the course of a reaction. But understanding the origin and magnitude of their catalytic contributions relative to hydrogen bonds made in aqueous solution remains difficult, in part because of complexities encountered in energetic interpretation of traditional site-directed mutagenesis experiments. It has been proposed for ketosteroid isomerase and other enzymes that active site hydrogen bonding groups provide energetic stabilization via “short, strong” or “low-barrier” hydrogen bonds that are formed due to matching of their pKa or proton affinity to that of the transition state. It has also been proposed that the ketosteroid isomerase and other enzyme active sites provide electrostatic environments that result in larger energetic responses (i.e., greater “sensitivity”) to ground-state to transition-state charge rearrangement, relative to aqueous solution, thereby providing catalysis relative to the corresponding reaction in water. To test these models, we substituted tyrosine with fluorotyrosines (F-Tyr’s) in the ketosteroid isomerase (KSI) oxyanion hole to systematically vary the proton affinity of an active site hydrogen bond donor while minimizing steric or structural effects. We found that a 40-fold increase in intrinsic F-Tyr acidity caused no significant change in activity for reactions with three different substrates. F-Tyr substitution did not change the solvent or primary kinetic isotope effect for proton abstraction, consistent with no change in mechanism arising from these substitutions. The observed shallow dependence of activity on the pKa of the substituted Tyr residues suggests that the KSI oxyanion hole does not provide catalysis by forming an energetically exceptional pKa-matched hydrogen bond. In addition, the shallow dependence provides no indication of an active site electrostatic

  3. Remote sensing and GIS approach for water-well site selection, southwest Iran

    USGS Publications Warehouse

    Rangzan, K.; Charchi, A.; Abshirini, E.; Dinger, J.

    2008-01-01

    The Pabdeh-Lali Anticline of northern Khuzestan province is located in southwestern Iran and occupies 790 km2. This structure is situated in the Zagros folded belt. As a result of well-developed karst systems in the anticlinal axis, the water supply potential is high and is drained by many peripheral springs. However, there is a scarcity of water for agriculture and population centers on the anticlinal flanks, which imposes a severe problem in terms of area development. This study combines remotely sensed (RS) data and a geographical information system (GIS) into a RSGIS technique to delineate new areas for groundwater development and specific sites for drilling productive water wells. Toward these goals, RS data were used to develop GIS layers for lithology, structural geology, topographic slope, elevation, and drainage density. Field measurements were made to create spring-location and groundwater-quality GIS layers. Subsequently, expert choice and relational methods were used in a GIS environment to conjunctively analyze all layers to delineate preferable regions and 43 individual sites in which to drill water wells. Results indicate that the most preferred areas are, in preferential order, within recent alluvial deposits, the Bakhtiyari Conglomerates, and the Aghajari Sandstone. The Asmari Limestone and other units have much lower potential for groundwater supplies. Potential usefulness of the RSGIS method was indicated when six out of nine producing wells recently drilled by the Khozestan Water and Power Authority (which had no knowledge of this study) were located in areas preferentially selected by this technique.

  4. Evaluation of water displacement energetics in protein binding sites with grid cell theory.

    PubMed

    Gerogiokas, G; Southey, M W Y; Mazanetz, M P; Heifetz, A; Hefeitz, A; Bodkin, M; Law, R J; Michel, J

    2015-04-07

    Excess free energies, enthalpies and entropies of water in protein binding sites were computed via classical simulations and Grid Cell Theory (GCT) analyses for three pairs of congeneric ligands in complex with the proteins scytalone dehydratase, p38α MAP kinase and EGFR kinase respectively. Comparative analysis is of interest since the binding modes for each ligand pair differ in the displacement of one binding site water molecule, but significant variations in relative binding affinities are observed. Protocols that vary in their use of restraints on protein and ligand atoms were compared to determine the influence of protein-ligand flexibility on computed water structure and energetics, and to assess protocols for routine analyses of protein-ligand complexes. The GCT-derived binding affinities correctly reproduce experimental trends, but the magnitude of the predicted changes in binding affinities is exaggerated with respect to results from a previous Monte Carlo Free Energy Perturbation study. Breakdown of the GCT water free energies into enthalpic and entropic components indicates that enthalpy changes dominate the observed variations in energetics. In EGFR kinase GCT analyses revealed that replacement of a pyrimidine by a cyanopyridine perturbs water energetics up three hydration shells away from the ligand.

  5. Electrochemical peroxidation of PCBs and VOCs in superfund site water and sediments

    SciTech Connect

    Scrudato, R.J.; Chiarenzelli, J.R.

    1996-12-31

    An electrochemical peroxidation (ECP) process has been developed and used to degrade polychlorinated biphenyls (PCB) and volatile organic compounds (VOC)-contaminated water, sludge, and sediments at a New York State Federal and State Superfund Site. The process involves passing an oscillating low-amperage (<10 amps) current through steel electrodes immersed in an acidified water or sediment slurry into which hydrogen peroxide (<1,000 ppm) is added. The generated free radicals attack organic compounds, including organo-metallic complexes and refractory compounds including PCBs. PCB degradation ranged from about 30% to 80% in experiments involving Federal Superfund Site sediments; total PCBs were reduced by {approximately}97% to 68%, respectively, in water and slurry collected from a State Superfund subsurface storage tank. VOC bench-scale experiments involved chloroethane, 1,1-dichloroethane, dichloromethane, 1,1,1-trichloroethane, and acetone and after a 3-min ECP treatment, degradation ranged from >94% to about 99.9%. Results indicate the ECP is a viable process to degrade organic contaminants in water and sediment suspensions. Because the treated water suspensions are acidified, select trace metal sorbed to the particulates is solubilized and therefore can be segregated from the particulates, offering a process that simultaneously degrades organic contaminants and separates trace metals. 19 refs., 1 fig., 4 tabs.

  6. Quality of surface water at selected sites in the Suwannee River basin, Florida

    USGS Publications Warehouse

    Coffin, J.E.

    1982-01-01

    This report presents the results of analyses of water-quality samples collected from 14 surface-water sites in the Suwannee River basin in Florida from January through December 1980. The analyses of samples collected routinely included: nutrients, total organic carbon, and 5-day biochemical oxygen demand, bimonthly; and trace metals, annually. The array of constituents sampled was expanded in October 1978 at three of the original nine stations to provide quality-of-water information for streams draining an industrial area: Rocky Creek near Belmont, Hunter Creek near Belmont, and Swift Creek at Facil. Data collected at these three sites now include: major chemical constituents, six times per year: radium-226, two times per year; and trace metals, one time per year. These constituents are determined in addition to nutrients, total organic carbon, and bio-chemical oxygen demand which continue to be analyzed six times per year. All results of analyses of the water-quality samples collected from January through December 1980 remained within, or near, previously measured ranges and water-quality fluctuations were similar to those noted from data collected since 1971. (USGS)

  7. Assessment of groundwater quality near the landfill site using the modified water quality index.

    PubMed

    Talalaj, Izabela A

    2014-06-01

    The purpose of this paper is to assess the groundwater quality near a landfill site using the modified water quality index. A total of 128 groundwater samples were analyzed for pH, electrical conductivity (EC), total organic carbon (TOC), polycyclic aromatic hydrocarbon (PAH), Cd, Pb, Zn, Cu, Cr, and Hg. The analytical results have showed a decreasing trend in concentration for TOC, Cd, Pb, Hg, and Cu and an increasing one for pH, EC, and PAH. The modified water quality index, which was called landfill water pollution index (LWPI), was calculated to quantify the overall water quality near the landfill site. The analysis reveals that groundwater in piezometers close to the landfill is under a strong landfill impact. The LWPI in piezometers ranged from 0.52 to 98.25 with a mean value of 7.99. The LWPI in groundwater from the nearest house wells varied from 0.59 to 0.92. A LWPI value below 1 proves that analyzed water is not affected by the landfill. Results have shown that LWPI is an efficient method for assessing and communicating the information on the groundwater quality near the landfill.

  8. Geology, hydrology, and water quality in the vicinity of a brownfield redevelopment site in Canton, Illinois

    USGS Publications Warehouse

    Kay, Robert T.; Cornue, David B.; Ursic, James R.

    2001-01-01

    The U.S. Geological Survey, in cooperation with the U.S. Environmental Protection Agency and Environmental Operations, Inc., assisted in the characterization of the geology, hydrology, and water quality at a Brownfield redevelopment site in Canton, Illinois. The investigation was designed to determine if metals and organic compounds historically used in industrial operations at the site resulted in a threat to the water resources in the area. The hydraulic units of concern in the study area are the upper semiconfining unit, the sand aquifer, and the lower semiconfining unit. The upper semiconfining unit ranges from about 1 to 19 feet in thickness and is composed of silt-and clay deposits with a geometric mean vertical hydraulic conductivity of 7.1 ? 10-3 feet per day. The sand aquifer is composed of a 1 to 5.5 foot thick sand deposit and is considered the primary pathway for ground-water flow and contaminant migration from beneath the study area. The geometric mean of the horizontal hydraulic conductivity of the sand aquifer was calculated to be 1.8 feet per day. The direction of flow in the sand aquifer is to the east, south, and west, away from a ground-water ridge that underlies the center of the site. Ground-water velocity through the sand aquifer ranges from 7.3 ? 10-2 to 2.7 ? 10-1 feet per day. The lower semiconfining unit is composed of sandy silt-and-clay deposits with a geometric mean vertical hydraulic conductivity of 1.1 ? 10-3 feet per day. Volatile organic compounds were detected in ground water beneath the study area. Pesticide compounds were detected in ground water in the western part of the study area. Partial or complete degradation of some of the volatile organic and pesticide compounds is occurring in the soils and ground water beneath the study area. Concentrations of most of the metals and major cations in the ground water show some variation within the study area and may be affected by the presence of a source area, pH, oxidation

  9. Contamination by perfluorinated compounds in water near waste recycling and disposal sites in Vietnam.

    PubMed

    Kim, Joon-Woo; Tue, Nguyen Minh; Isobe, Tomohiko; Misaki, Kentaro; Takahashi, Shin; Viet, Pham Hung; Tanabe, Shinsuke

    2013-04-01

    There are very few reports on the contamination by perfluorinated chemicals (PFCs) in the environment of developing countries, especially regarding their emission from waste recycling and disposal sites. This is the first study on the occurrence of a wide range of PFCs (17 compounds) in ambient water in Vietnam, including samples collected from a municipal dumping site (MD), an e-waste recycling site (ER), a battery recycling site (BR) and a rural control site. The highest PFC concentration was found in a leachate sample from MD (360 ng/L). The PFC concentrations in ER and BR (mean, 57 and 16 ng/L, respectively) were also significantly higher than those detected in the rural control site (mean, 9.4 ng/L), suggesting that municipal solid waste and waste electrical and electronic equipment are potential contamination sources of PFCs in Vietnam. In general, the most abundant PFCs were perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), and perfluoroundecanoic acid (PFUDA; <1.4-100, <1.2-100, and <0.5-20 ng/L, respectively). Interestingly, there were specific PFC profiles: perfluoroheptanoic acid and perfluorohexanoic acid (88 and 77 ng/L, respectively) were almost as abundant as PFOA in MD leachate (100 ng/L), whereas PFNA was prevalent in ER and BR (mean, 17 and 6.2 ng/L, respectively) and PFUDA was the most abundant in municipal wastewater (mean, 5.6 ng/L), indicating differences in PFC contents in different waste materials.

  10. Mechanism of Water Oxidation by Single-Site Ruthenium Complex Catalysts

    SciTech Connect

    Muckerman, J.T.; Concepcion, J.J.; Tsai, M.-K.; Meyer, T.J.

    2010-02-10

    The mechanism of Ce(IV) water oxidation catalyzed by [Ru(tpy)(bpm)(OH{sub 2})]{sup 2+} (tpy = 2,2':6',2''-terpyridine; bpm = 2,2'-bipyrimidine) and related single-site catalysts has been determined by a combination of mixing and stopped-flow experiments with spectrophotometric monitoring. The mechanism features O---O coupling by water attack on Ru{sup V} = O{sup 3+} and three peroxidic intermediates that have been characterized by a combination of spectroscopy and DFT calculations.

  11. Mechanism of Water Oxidation by Single-Site Ruthenium Complex Catalysts

    SciTech Connect

    Concepcion, Javier C.; Tsai, Ming-Kang; Muckerman, James T.; Meyer, Thomas J

    2010-02-10

    The mechanism of Ce(IV) water oxidation catalyzed by [Ru(tpy)(bpm)(OH2)]2+ (tpy = 2,2':6',2''-terpyridine; bpm = 2,2'-bipyrimidine) and related single-site catalysts has been determined by a combination of mixing and stopped-flow experiments with spectrophotometric monitoring. The mechanism features O---O coupling by water attack on RuV=O 3+ and three peroxidic intermediates that have been characterized by a combination of spectroscopy and DFT calculations.

  12. CENSUS AND STATISTICAL CHARACTERIZATION OF SOIL AND WATER QUALITY AT ABANDONED AND OTHER CENTRALIZED AND COMMERCIAL DRILLING-FLUID DISPOSAL SITES IN LOUISIANA, NEW MEXICO, OKLAHOMA, AND TEXAS

    SciTech Connect

    Alan R. Dutton; H. Seay Nance

    2003-06-01

    Commercial and centralized drilling-fluid disposal (CCDD) sites receive a portion of spent drilling fluids for disposal from oil and gas exploration and production (E&P) operations. Many older and some abandoned sites may have operated under less stringent regulations than are currently enforced. This study provides a census, compilation, and summary of information on active, inactive, and abandoned CCDD sites in Louisiana, New Mexico, Oklahoma, and Texas, intended as a basis for supporting State-funded assessment and remediation of abandoned sites. Closure of abandoned CCDD sites is within the jurisdiction of State regulatory agencies. Sources of data used in this study on abandoned CCDD sites mainly are permit files at State regulatory agencies. Active and inactive sites were included because data on abandoned sites are sparse. Onsite reserve pits at individual wells for disposal of spent drilling fluid are not part of this study. Of 287 CCDD sites in the four States for which we compiled data, 34 had been abandoned whereas 54 were active and 199 were inactive as of January 2002. Most were disposal-pit facilities; five percent were land treatment facilities. A typical disposal-pit facility has fewer than 3 disposal pits or cells, which have a median size of approximately 2 acres each. Data from well-documented sites may be used to predict some conditions at abandoned sites; older abandoned sites might have outlier concentrations for some metal and organic constituents. Groundwater at a significant number of sites had an average chloride concentration that exceeded nonactionable secondary drinking water standard of 250 mg/L, or a total dissolved solids content of >10,000 mg/L, the limiting definition for underground sources of drinking water source, or both. Background data were lacking, however, so we did not determine whether these concentrations in groundwater reflected site operations. Site remediation has not been found necessary to date for most abandoned

  13. Silver-Coated Nylon Dressing Plus Active DC Microcurrent for Healing of Autogenous Skin Donor Sites

    DTIC Science & Technology

    2013-08-01

    Silver-Coated Nylon Dressing Plus Active DC Microcurrent for Healing of Autogenous Skin Donor Sites Edward W. Malin, MD, Chaya M. Galin, BSN, RN... microcurrent in comparison to silver-coated dressing with sham microcurrent on wound-closure time for autogenous skin donor sites. Methods: Four...hundred five patients were screened for treatment of their donor sites using a silver-coated nylon dressing with either sham or active microcurrent

  14. Identification of Ice Nucleation Active Sites on Feldspar Dust Particles

    PubMed Central

    2015-01-01

    Mineral dusts originating from Earth’s crust are known to be important atmospheric ice nuclei. In agreement with earlier studies, feldspar was found as the most active of the tested natural mineral dusts. Here we investigated in closer detail the reasons for its activity and the difference in the activity of the different feldspars. Conclusions are drawn from scanning electron microscopy, X-ray powder diffraction, infrared spectroscopy, and oil-immersion freezing experiments. K-feldspar showed by far the highest ice nucleation activity. Finally, we give a potential explanation of this effect, finding alkali-metal ions having different hydration shells and thus an influence on the ice nucleation activity of feldspar surfaces. PMID:25584435

  15. 76 FR 30696 - Reimbursement for Costs of Remedial Action at Active Uranium and Thorium Processing Sites

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-26

    ... Reimbursement for Costs of Remedial Action at Active Uranium and Thorium Processing Sites AGENCY: Department of... eligible active uranium and thorium processing site licensees for reimbursement under Title X of the Energy... requires DOE to reimburse eligible uranium and thorium licensees for certain costs of...

  16. 76 FR 24871 - Reimbursement for Costs of Remedial Action at Active Uranium and Thorium Processing Sites

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-03

    ... Reimbursement for Costs of Remedial Action at Active Uranium and Thorium Processing Sites AGENCY: Department of... from eligible active uranium and thorium processing site licensees for reimbursement under Title X of...). Title X requires DOE to reimburse eligible uranium and thorium licensees for certain costs...

  17. Proposed ground water protection strategy for the Uranium Mill Tailings Site at Green River, Utah. Final report

    SciTech Connect

    Not Available

    1994-11-01

    This document presents the US DOE water resources protection strategy for the Green River, Utah mill tailings disposal site. The modifications in the original plan are based on new information, including ground water quality data collected after remedial action was completed, and on a revised assessment of disposal cell design features, surface conditions, and site hydrogeology. All aspects are discussed in this report.

  18. A model of the rabies virus glycoprotein active site.

    PubMed

    Rustici, M; Bracci, L; Lozzi, L; Neri, P; Santucci, A; Soldani, P; Spreafico, A; Niccolai, N

    1993-06-01

    The glycoprotein from the neurotropic rabies virus shows a significant homology with the alpha neurotoxin that binds to the nicotinic acetylcholine receptor. The crystal structure of the alpha neurotoxins suggests that the Arg 37 guanidinium group and the Asp 31 side-chain carboxylate of the erabutoxin have stereochemical features resembling those of acetylcholine. Conformational studies on the Asn194-Ser195-Arg196-Gly197 tetrapeptide, an essential part of the binding site of the rabies virus glycoprotein, indicate that the side chains of Asn and Arg could also mimic the acetylcholine structure. This observation is consistent with the recently proposed mechanism of the viral infection.

  19. Seasonality of the plankton community at an east and west coast monitoring site in Scottish waters

    NASA Astrophysics Data System (ADS)

    Bresnan, Eileen; Cook, Kathryn B.; Hughes, Sarah L.; Hay, Steve J.; Smith, Kerry; Walsham, Pamela; Webster, Lynda

    2015-11-01

    This study presents the first comparative description of the physics, nutrients and plankton communities at two Scottish monitoring sites between 2003 and 2012; Stonehaven on the east coast of Scotland and Loch Ewe on the west coast. This description provides baseline information about the diversity of the plankton community in Scottish waters to support assessment of the plankton community for the EU Marine Strategy Framework Directive. Spring time temperatures at Loch Ewe were approximately 2 °C higher and the median secchi depth was almost 1 m greater than at Stonehaven during this period. Freshwater inflow from the river Ewe may promote water column stability at Loch Ewe. These factors may account for the earlier spring bloom observed at the Loch Ewe monitoring site. The seasonality of chlorophyll 'a' at Loch Ewe was typical of stratified waters in temperate regions with a strong spring/autumn peak attributed to increased numbers of diatoms whilst dinoflagellates dominated during the summer. At Stonehaven highest concentrations of chlorophyll were recorded between May and June and the autumn diatom bloom was considerably less than in Loch Ewe. A higher biomass of zooplankton grazers was found at Loch Ewe than at Stonehaven. Pseudocalanus was the dominant copepod at both sites, particularly during the spring period. Zooplankton carnivores were also more abundant at Loch Ewe than at Stonehaven and were dominated by cnidarians. Considerable interannual variability was observed in cnidarian abundance and diversity at both sites. Variation in the abundance of Ceratium, Calanus finmarchicus and Calanus helgolandicus at both sites followed similar trends in other time series suggesting that the plankton communities at Stonehaven and Loch Ewe are responding to large scale environmental influences.

  20. Soil Water Balance and Recharge Monitoring at the Hanford Site – FY 2010