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Sample records for active site water

  1. Water in the Active Site of Ketosteroid Isomerase

    PubMed Central

    Hanoian, Philip; Hammes-Schiffer, Sharon

    2011-01-01

    Classical molecular dynamics simulations were utilized to investigate the structural and dynamical properties of water in the active site of ketosteroid isomerase (KSI) to provide insight into the role of these water molecules in the enzyme-catalyzed reaction. This reaction is thought to proceed via a dienolate intermediate that is stabilized by hydrogen bonding with residues Tyr16 and Asp103. A comparative study was performed for the wild-type (WT) KSI and the Y16F, Y16S, and Y16F/Y32F/Y57F (FFF) mutants. These systems were studied with three different bound ligands: equilenin, which is an intermediate analog, and the intermediate states of two steroid substrates. Several distinct water occupation sites were identified in the active site of KSI for the WT and mutant systems. Three additional sites were identified in the Y16S mutant that were not occupied in WT KSI or the other mutants studied. The number of water molecules directly hydrogen bonded to the ligand oxygen was approximately two waters in the Y16S mutant, one water in the Y16F and FFF mutants, and intermittent hydrogen bonding of one water molecule in WT KSI. The molecular dynamics trajectories of the Y16F and FFF mutants reproduced the small conformational changes of residue 16 observed in the crystal structures of these two mutants. Quantum mechanical/molecular mechanical calculations of 1H NMR chemical shifts of the protons in the active site hydrogen-bonding network suggest that the presence of water in the active site does not prevent the formation of short hydrogen bonds with far-downfield chemical shifts. The molecular dynamics simulations indicate that the active site water molecules exchange much more frequently for WT KSI and the FFF mutant than for the Y16F and Y16S mutants. This difference is most likely due to the hydrogen-bonding interaction between Tyr57 and an active site water molecule that is persistent in the Y16F and Y16S mutants but absent in the FFF mutant and significantly less

  2. 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.

  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. Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.

    PubMed

    Chen, Mengbin; Chou, Wayne K W; Al-Lami, Naeemah; Faraldos, Juan A; Allemann, Rudolf K; Cane, David E; Christianson, David W

    2016-05-24

    Aristolochene synthase (ATAS) is a high-fidelity terpenoid cyclase that converts farnesyl diphosphate exclusively into the bicyclic hydrocarbon aristolochene. Previously determined crystal structures of ATAS complexes revealed trapped active site water molecules that could potentially interact with catalytic intermediates: water "w" hydrogen bonds with S303 and N299, water molecules "w1" and "w2" hydrogen bond with Q151, and a fourth water molecule coordinates to the Mg(2+)C ion. There is no obvious role for water in the ATAS mechanism because the enzyme exclusively generates a hydrocarbon product. Thus, these water molecules are tightly controlled so that they cannot react with carbocation intermediates. Steady-state kinetics and product distribution analyses of eight ATAS mutants designed to perturb interactions with active site water molecules (S303A, S303H, S303D, N299A, N299L, N299A/S303A, Q151H, and Q151E) indicate relatively modest effects on catalysis but significant effects on sesquiterpene product distributions. X-ray crystal structures of S303A, N299A, N299A/S303A, and Q151H mutants reveal minimal perturbation of active site solvent structure. Seven of the eight mutants generate farnesol and nerolidol, possibly resulting from addition of the Mg(2+)C-bound water molecule to the initially formed farnesyl cation, but no products are generated that would suggest enhanced reactivity of other active site water molecules. However, intermediate germacrene A tends to accumulate in these mutants. Thus, apart from the possible reactivity of Mg(2+)C-bound water, active site water molecules in ATAS are not directly involved in the chemistry of catalysis but instead contribute to the template that governs the conformation of the flexible substrate and carbocation intermediates. PMID:27172425

  5. 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

  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. 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.

  8. 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. PMID:11468361

  9. Implication of crystal water molecules in inhibitor binding at ALR2 active site.

    PubMed

    Hymavati; Kumar, Vivek; Sobhia, M Elizabeth

    2012-01-01

    Water molecules play a crucial role in mediating the interaction between a ligand and a macromolecule. The solvent environment around such biomolecule controls their structure and plays important role in protein-ligand interactions. An understanding of the nature and role of these water molecules in the active site of a protein could greatly increase the efficiency of rational drug design approaches. We have performed the comparative crystal structure analysis of aldose reductase to understand the role of crystal water in protein-ligand interaction. Molecular dynamics simulation has shown the versatile nature of water molecules in bridge H bonding during interaction. Occupancy and life time of water molecules depend on the type of cocrystallized ligand present in the structure. The information may be useful in rational approach to customize the ligand, and thereby longer occupancy and life time for bridge H-bonding. PMID:22649481

  10. Field examination of ground water quality as an indicator of microbiological activity at gasoline contaminated sites.

    PubMed

    Norkus, R G; Maurer, J; Schultz, N A; Stuart, J D; Robbins, G A; Bristol, R D

    1996-08-01

    Various portable electrodes and an on-line colorimetric test kit were used in the field to examine ground water quality as an indicator of natural bioremediation across two sites in Connecticut having subsurface gasoline contamination. The parameters examined included dissolved oxygen, dissolved carbon dioxide, direct redox potential (Eh), nitrate, ammonia and pH. These parameters permitted delineating regions of aerobic and anaerobic microbiological activity. Variations in these parameters over an eighteen month period along with gas chromatographic analyses of certain gasoline components in the ground water indicated that in-situ bioremediation was effective at containing the petroleum contamination at both sites. It was found that a new on-line colorimetric test kit for the determination of oxygen was more accurate than a commonly used dissolved oxygen electrode. PMID:8680831

  11. Environmental assessment of ground-water compliance activities at the Uranium Mill Tailings Site, Spook, Wyoming

    SciTech Connect

    1997-02-01

    This report assesses the environmental impacts of the Uranium Mill Tailings Site at Spook, Wyoming on ground water. DOE previously characterized the site and monitoring data were collected during the surface remediation. The ground water compliance strategy is to perform no further remediation at the site since the ground water in the aquifer is neither a current nor potential source of drinking water. Under the no-action alternative, certain regulatory requirements would not be met.

  12. 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. PMID:19737003

  13. 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.

  14. Environmental assessment of ground water compliance activities at the Uranium Mill Tailings Site, Spook, Wyoming. Revision 0

    SciTech Connect

    1996-03-01

    This document is an environmental assessment of the Spook, Wyoming, Uranium Mill Tailings Remedial Action (UMTRA) Project site. It analyzes the impacts of the U.S. Department of Energy (DOE) proposed action for ground water compliance. The proposed action is to comply with the U.S. Environmental Protection Agency (EPA) standards for the UMTRA Project sites (40 CFR Part 192) by meeting supplemental standards based on the limited use ground water at the Spook site. This proposed action would not require site activities, including ground water monitoring, characterization, or institutional controls. Ground water in the uppermost aquifer was contaminated by uranium processing activities at the Spook site, which is in Converse County, approximately 48 miles (mi) (77 kilometers [km]) northeast of Casper, Wyoming. Constituents from the site infiltrated and migrated into the uppermost aquifer, forming a plume that extends approximately 2500 feet (ft) (800 meters [m]) downgradient from the site. The principal site-related hazardous constituents in this plume are uranium, selenium, and nitrate. Background ground water in the uppermost aquifer at the site is considered limited use. It is neither a current nor a potential source of drinking water because of widespread, ambient contamination that cannot be cleaned up using treatment methods reasonably employed in public water supply systems (40 CFR {section} 192.11 (e)). Background ground water quality also is poor due to first, naturally occurring conditions (natural uranium mineralization associated with an alteration front), and second, the effects of widespread human activity not related to uranium milling operations (uranium exploration and mining activities). There are no known exposure pathways to humans, animals, or plants from the contaminated ground water in the uppermost aquifer because it does not discharge to lower aquifers, to the surface, or to surface water.

  15. In Operando Identification of Geometrical-Site-Dependent Water Oxidation Activity of Spinel Co3O4.

    PubMed

    Wang, Hsin-Yi; Hung, Sung-Fu; Chen, Han-Yi; Chan, Ting-Shan; Chen, Hao Ming; Liu, Bin

    2016-01-13

    Spinel Co3O4, comprising two types of cobalt ions: one Co(2+) in the tetrahedral site (Co(2+)(Td)) and the other two Co(3+) in the octahedral site (Co(3+)(Oh)), has been widely explored as a promising oxygen evolution reaction (OER) catalyst for water electrolysis. However, the roles of two geometrical cobalt ions toward the OER have remained elusive. Here, we investigated the geometrical-site-dependent OER activity of Co3O4 catalyst by substituting Co(2+)(Td) and Co(3+)(Oh) with inactive Zn(2+) and Al(3+), respectively. Following a thorough in operando analysis by electrochemical impedance spectroscopy and X-ray absorption spectroscopy, it was revealed that Co(2+)Td site is responsible for the formation of cobalt oxyhydroxide (CoOOH), which acted as the active site for water oxidation. PMID:26710084

  16. 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; 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.

  17. 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. PMID:27073166

  18. Mobility of heavy metals from tailings to stream waters in a mining activity contaminated site.

    PubMed

    Concas, A; Ardau, C; Cristini, A; Zuddas, P; Cao, G

    2006-04-01

    In this paper the results of a recent characterization of Rio Piscinas (SW of Sardinia, Italy) hydrological basin are reported. In such area (about 50 km2), previous mining activities caused a serious heavy metal contamination of surface waters, groundwater, soils and biota. Acid mine drainage phenomena were observed in the area. The main sources of contamination are the tailings stored in mine tunnels and abandoned along fluvial banks. A methodological approach was adopted in order to identify relations between tailings and water contamination. Representative samples of tailings and stream sediments samples were collected. XRD analyses were performed for mineralogical characterization, while acid digestion was carried out for determining metal contents. Batch sequential leaching tests were performed in order to assess metal mobility. Also groundwater and stream water were sampled in specific locations and suitably characterized. All information collected allowed the understanding of the effect of tailings on water contamination, thus contributing to the qualitative prediction of pollution evolution on the basis of metal mobility. Finally, a potential remediation strategy of stream water is proposed. PMID:16216301

  19. 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

  20. 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

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

    PubMed

    Boron, Ignacio; Bustamante, Juan Pablo; 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

  2. SET7/9 Catalytic Mutants Reveal the Role of Active Site Water Molecules in Lysine Multiple Methylation

    SciTech Connect

    Del Rizzo, Paul A.; Couture, Jean-François; Dirk, Lynnette M.A.; Strunk, Bethany S.; Roiko, Marijo S.; Brunzelle, Joseph S.; Houtz, Robert L.; Trievel, Raymond C.

    2010-11-15

    SET domain lysine methyltransferases (KMTs) methylate specific lysine residues in histone and non-histone substrates. These enzymes also display product specificity by catalyzing distinct degrees of methylation of the lysine {epsilon}-amino group. To elucidate the molecular mechanism underlying this specificity, we have characterized the Y245A and Y305F mutants of the human KMT SET7/9 (also known as KMT7) that alter its product specificity from a monomethyltransferase to a di- and a trimethyltransferase, respectively. Crystal structures of these mutants in complex with peptides bearing unmodified, mono-, di-, and trimethylated lysines illustrate the roles of active site water molecules in aligning the lysine {epsilon}-amino group for methyl transfer with S-adenosylmethionine. Displacement or dissociation of these solvent molecules enlarges the diameter of the active site, accommodating the increasing size of the methylated {epsilon}-amino group during successive methyl transfer reactions. Together, these results furnish new insights into the roles of active site water molecules in modulating lysine multiple methylation by SET domain KMTs and provide the first molecular snapshots of the mono-, di-, and trimethyl transfer reactions catalyzed by these enzymes.

  3. Redox-coupled substrate water reorganization in the active site of Photosystem II-The role of calcium in substrate water delivery.

    PubMed

    Ugur, Ilke; Rutherford, A William; Kaila, Ville R I

    2016-06-01

    Photosystem II (PSII) catalyzes light-driven water splitting in nature and is the key enzyme for energy input into the biosphere. Important details of its mechanism are not well understood. In order to understand the mechanism of water splitting, we perform here large-scale density functional theory (DFT) calculations on the active site of PSII in different oxidation, spin and ligand states. Prior to formation of the O-O bond, we find that all manganese atoms are oxidized to Mn(IV) in the S3 state, consistent with earlier studies. We find here, however, that the formation of the S3 state is coupled to the movement of a calcium-bound hydroxide (W3) from the Ca to a Mn (Mn1 or Mn4) in a process that is triggered by the formation of a tyrosyl radical (Tyr-161) and its protonated base, His-190. We find that subsequent oxidation and deprotonation of this hydroxide on Mn1 result in formation of an oxyl-radical that can exergonically couple with one of the oxo-bridges (O5), forming an O-O bond. When O(2) leaves the active site, a second Ca-bound water molecule reorients to bridge the gap between the manganese ions Mn1 and Mn4, forming a new oxo-bridge for the next reaction cycle. Our findings are consistent with experimental data, and suggest that the calcium ion may control substrate water access to the water oxidation sites. PMID:26826591

  4. Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description.

    PubMed

    Spyrakis, Francesca; Cavasotto, Claudio N

    2015-10-01

    Structure-based virtual screening is currently an established tool in drug lead discovery projects. Although in the last years the field saw an impressive progress in terms of algorithm development, computational performance, and retrospective and prospective applications in ligand identification, there are still long-standing challenges where further improvement is needed. In this review, we consider the conceptual frame, state-of-the-art and recent developments of three critical "structural" issues in structure-based drug lead discovery: the use of homology modeling to accurately model the binding site when no experimental structures are available, the necessity of accounting for the dynamics of intrinsically flexible systems as proteins, and the importance of considering active site water molecules in lead identification and optimization campaigns. PMID:26271444

  5. Microbial abundance and activities in relation to water potential in the vadose zones of arid and semiarid sites.

    PubMed

    Kieft, T L; Amy, P S; Brockman, F J; Fredrickson, J K; Bjornstad, B N; Rosacker, L L

    1993-07-01

    Numbers and activities of microorganisms were measured in the vadose zones of three arid and semiarid areas of the western United States, and the influence of water availability was determined. These low-moisture environments have vadose zones that are commonly hundreds of meters thick. The specific sampling locations chosen were on or near U.S. Department of Energy facilities: the Nevada Test Site (NTS), the Idaho National Engineering Laboratory (INEL), and the Hanford Site (HS) in southcentral Washington State. Most of the sampling locations were uncontaminated, but geologically representative of nearby locations with storage and/or leakage of waste compounds in the vadose zone. Lithologies of samples included volcanic tuff, basalt, glaciofluvial and fluvial sediments, and paleosols (buried soils). Samples were collected aseptically, either by drilling bore-holes (INEL and HS), or by excavation within tunnels (NTS) and outcrop faces (paleosols near the HS). Total numbers of microorganisms were counted using direct microscopy, and numbers of culturable microorganisms were determined using plate-count methods. Desiccation-tolerant microorganisms were quantified by plate counts performed after 24 h desiccation of the samples. Mineralization of (14)C-labeled glucose and acetate was quantified in samples at their ambient moisture contents, in dried samples, and in moistened samples, to test the hypothesis that water limits microbial activities in vadose zones. Total numbers of microorganisms ranged from log 4.5 to 7.1 cells g(-1) dry wt. Culturable counts ranged from log <2 to 6.7 CFU g(-1) dry wt, with the highest densities occurring in paleosol (buried soil) samples. Culturable cells appeared to be desiccation-tolerant in nearly all samples that had detectable viable heterotrophs. Water limited mineralization in some, but not all samples, suggesting that an inorganic nutrient or other factor may limit microbial activities in some vadose zone environments. PMID

  6. 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

  7. Constrained water access to the active site of cytochrome P450 from the piezophilic bacterium Photobacterium profundum

    NASA Astrophysics Data System (ADS)

    Sineva, Elena V.; Davydov, Dmitri R.

    2010-12-01

    Living species inhabiting ocean deeps must adapt to high hydrostatic pressure. This adaptation, which must enable functioning under conditions of promoted protein hydration, is especially important for proteins such as cytochromes P450 that exhibit functionally important hydration-dehydration dynamics. Here we study the interactions of substrates with cytochrome P450-SS9, a putative fatty acid hydroxylase from the piezophilic bacterium Photobacterium profundum SS9, and characterize the protein's barotropic properties. Comparison of P450-SS9 with cytochrome P450BM-3, a mesophilic fatty acid hydroxylase, suggests that P450-SS9 is characterized by severely confined accessibility and low water occupancy of the active site. This feature may reveal a mechanism for the structural adaptation of the piezophilic enzyme. We also demonstrate that saturated and unsaturated fatty acids exert opposite effects on solvent accessibility and hydration of the active site. Modulation of the protein conformation by fatty acids is hypothesized to have an important physiological function in the piezophile.

  8. Calculation of Relative Binding Free Energy in the Water-Filled Active Site of Oligopeptide-Binding Protein A.

    PubMed

    Maurer, Manuela; de Beer, Stephanie B A; Oostenbrink, Chris

    2016-01-01

    The periplasmic oligopeptide binding protein A (OppA) represents a well-known example of water-mediated protein-ligand interactions. Here, we perform free-energy calculations for three different ligands binding to OppA, using a thermodynamic integration approach. The tripeptide ligands share a high structural similarity (all have the sequence KXK), but their experimentally-determined binding free energies differ remarkably. Thermodynamic cycles were constructed for the ligands, and simulations conducted in the bound and (freely solvated) unbound states. In the unbound state, it was observed that the difference in conformational freedom between alanine and glycine leads to a surprisingly slow convergence, despite their chemical similarity. This could be overcome by increasing the softness parameter during alchemical transformations. Discrepancies remained in the bound state however, when comparing independent simulations of the three ligands. These difficulties could be traced to a slow relaxation of the water network within the active site. Fluctuations in the number of water molecules residing in the binding cavity occur mostly on a timescale larger than the simulation time along the alchemical path. After extensive simulations, relative binding free energies that were converged to within thermal noise could be obtained, which agree well with available experimental data. PMID:27092480

  9. H-bonding networks of the distal residues and water molecules in the active site of Thermobifida fusca hemoglobin.

    PubMed

    Nicoletti, Francesco P; Droghetti, Enrica; Howes, Barry D; Bustamante, Juan P; Bonamore, Alessandra; Sciamanna, Natascia; Estrin, Darío A; Feis, Alessandro; Boffi, Alberto; Smulevich, Giulietta

    2013-09-01

    The ferric form of truncated hemoglobin II from Thermobifida fusca (Tf-trHb) and its triple mutant WG8F-YB10F-YCD1F at neutral and alkaline pH, and in the presence of CN(-) have been characterized by resonance Raman spectroscopy, electron paramagnetic resonance spectroscopy, and molecular dynamics simulations. Tf-trHb contains three polar residues in the distal site, namely TrpG8, TyrCD1 and TyrB10. Whereas TrpG8 can act as a potential hydrogen-bond donor, the tyrosines can act as donors or acceptors. Ligand binding in heme-containing proteins is determined by a number of factors, including the nature and conformation of the distal residues and their capability to stabilize the heme-bound ligand via hydrogen-bonding and electrostatic interactions. Since both the RR Fe-OH(-) and Fe-CN(-) frequencies are very sensitive to the distal environment, detailed information on structural variations has been obtained. The hydroxyl ligand binds only the WT protein giving rise to two different conformers. In form 1 the anion is stabilized by H-bonds with TrpG8, TyrCD1 and a water molecule, in turn H-bonded to TyrB10. In form 2, H-bonding with TyrCD1 is mediated by a water molecule. Unlike the OH(-) ligand, CN(-) binds both WT and the triple mutant giving rise to two forms with similar spectroscopic characteristics. The overall results clearly indicate that H-bonding interactions both with distal residues and water molecules are important structural determinants in the active site of Tf-trHb. This article is part of a Special Issue entitled: Oxygen Binding and Sensing Proteins. PMID:23467007

  10. 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.

  11. Effects of protonation state of Asp181 and position of active site water molecules on the conformation of PTP1B.

    PubMed

    Ozcan, Ahmet; Olmez, Elif Ozkirimli; Alakent, Burak

    2013-05-01

    In protein tyrosine phosphatase 1B (PTP1B), the flexible WPD loop adopts a closed conformation (WPDclosed ) in the active state of PTP1B, bringing the catalytic Asp181 close to the active site pocket, while WPD loop is in an open conformation (WPDopen ) in the inactive state. Previous studies showed that Asp181 may be protonated at physiological pH, and ordered water molecules exist in the active site. In the current study, molecular dynamics simulations are employed at different Asp181 protonation states and initial positions of active site water molecules, and compared with the existing crystallographic data of PTP1B. In WPDclosed conformation, the active site is found to maintain its conformation only in the protonated state of Asp181 in both free and liganded states, while Asp181 is likely to be deprotonated in WPDopen conformation. When the active site water molecule network that is a part of the free WPDclosed crystal structure is disrupted, intermediate WPD loop conformations, similar to that in the PTPRR crystal structure, are sampled in the MD simulations. In liganded PTP1B, one active site water molecule is found to be important for facilitating the orientation of Cys215 and the phosphate ion, thus may play a role in the reaction. In conclusion, conformational stability of WPD loop, and possibly catalytic activity of PTP1B, is significantly affected by the protonation state of Asp181 and position of active site water molecules, showing that these aspects should be taken into consideration both in MD simulations and inhibitor design. PMID:23239271

  12. A description of the index of active Florida water data collection stations and a user's guide for station or site information retrieval using computer program Findex H578

    USGS Publications Warehouse

    Merritt, M.L.

    1977-01-01

    A computerized index of water-data collection activities and retrieval software to generate publication list of this information was developed for Florida. This system serves a vital need in the administration of the many and diverse water-data collection activities. Previously, needed data was very difficult to assemble for use in program planning or project implementation. Largely descriptive, the report tells how a file of computer card images has been established which contains entries for all sites in Florida at which there is currently a water-data-collection activity. Entries include information such as identification number, station name, location, type of site, county, information about data collection, funding, and other pertinent details. The computer program FINDEX selectively retrieves entries and lists them in a format suitable for publication. Updating the index is done routinely. (Woodard-USGS)

  13. 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

    2014-05-01

    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. PMID:24738662

  14. 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.

  15. 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

  16. Revised description of index of Florida water data collection active stations and a user's guide for station or site information retrieval computer program FINDEX H578

    USGS Publications Warehouse

    Geiger, Linda H.

    1983-01-01

    The report is an update of U.S. Geological Survey Open-File Report 77-703, which described a retrieval program for administrative index of active data-collection sites in Florida. Extensive changes to the Findex system have been made since 1977 , making the previous report obsolete. A description of the data base and computer programs that are available in the Findex system are documented in this report. This system serves a vital need in the administration of the many and diverse water-data collection activities. District offices with extensive data-collection activities will benefit from the documentation of the system. Largely descriptive, the report tells how a file of computer card images has been established which contains entries for all sites in Florida at which there is currently a water-data collection activity. Entries include information such as identification number, station name, location, type of site, county, frequency of data collection, funding, and other pertinent details. The computer program FINDEX selectively retrieves entries and lists them in a format suitable for publication. The index is updated routinely. (USGS)

  17. 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

    SciTech Connect

    Torelli, A.T.; Krucinska, J.; Wedekind, J.E.

    2009-06-04

    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 A 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 A 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.

  18. Sterically hindered carboxylate ligands support water-bridged dimetallic centers that model features of metallohydrolase active sites.

    PubMed

    Lee, Dongwhan; Hung, Pei-Lin; Spingler, Bernhard; Lippard, Stephen J

    2002-02-11

    The synthesis and characterization of carboxylate-bridged dimetallic complexes are described. By using m-terphenyl-derived carboxylate ligands, a series of dicobalt(II), dicobalt(III), dinickel(II), and dizinc(II) complexes were synthesized. The compounds are [Co(2)(mu-O(2)CAr(Tol))(2)(O(2)CAr(Tol))(2)L(2)] (1), [Co(2)(mu-OH(2))(2)(mu-O(2)CAr(Tol))(2)(O(2)CAr(Tol))(2)L(2)] (2a-c), [Co(2)(mu-OH)(2)(mu-O(2)CAr(Tol))(2)(O(2)CAr(Tol))(2)L(2)] (3), [Ni(2)(mu-O(2)CAr(Tol))(4)L(2)] (4), [Ni(2)(mu-HO...H)(2)(mu-O(2)CAr(Tol))(2)(O(2)CAr(Tol))(2)L(2)] (5), and [Zn(2)(mu-O(2)CAr(Tol))(2)(O(2)CAr(Tol))(2)L(2)] (6), where Ar(Tol)CO(2)H = 2,6-di(p-tolyl)benzoic acid and L = pyridine, THF, or N,N-dibenzylethylenediamine. Structural analysis of these complexes revealed that additional bridging ligands can be readily accommodated within the [M(2)(mu-O(2)CAr(Tol))(2)](2+) core, allowing a wide distribution of M...M distances from 2.5745(6) to 4.0169(9) A. Unprecedented bridging units [M(2)(mu-OH(2))(2)(mu-O(2)CR)(2)](n+) and [M(2)(mu-HO...H)(2)(mu-O(2)CR)(2)](n+) were identified in 2a-c and 5, respectively, in which strong hydrogen bonding accommodates shifts of protons from bridging water molecules toward the dangling oxygen atoms of terminal monodentate carboxylate groups. Such a proton shift along the O...H...O coordinate attenuates the donor ability of the anionic carboxylate ligand, which can translate into increased Lewis acidity at the metal centers. Such double activation of bridging water molecules by a Lewis acidic metal center and a metal-bound general base may facilitate the reactivity of metallohydrolases such as methionine aminopeptidase (MAP). PMID:11825079

  19. Low dielectric response in enzyme active site

    PubMed Central

    Mertz, Edward L.; Krishtalik, Lev I.

    2000-01-01

    The kinetics of charge transfer depend crucially on the dielectric reorganization of the medium. In enzymatic reactions that involve charge transfer, atomic dielectric response of the active site and of its surroundings determines the efficiency of the protein as a catalyst. We report direct spectroscopic measurements of the reorganization energy associated with the dielectric response in the active site of α-chymotrypsin. A chromophoric inhibitor of the enzyme is used as a spectroscopic probe. We find that water strongly affects the dielectric reorganization in the active site of the enzyme in solution. The reorganization energy of the protein matrix in the vicinity of the active site is similar to that of low-polarity solvents. Surprisingly, water exhibits an anomalously high dielectric response that cannot be described in terms of the dielectric continuum theory. As a result, sequestering the active site from the aqueous environment inside low-dielectric enzyme body dramatically reduces the dielectric reorganization. This reduction is particularly important for controlling the rate of enzymatic reactions. PMID:10681440

  20. Hanford Site ground-water monitoring for 1990

    SciTech Connect

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

    1992-06-01

    The Pacific Northwest Laboratory monitors ground-water quality across the Hanford Site for the US Department of Energy (DOE) to assess the impact of Site operations on the environment. Monitoring activities were conducted to determine the distribution of mobile radionuclides and identify chemicals present in ground water as a result of Site operations and whenever possible, relate the distribution of these constituents to Site operations. To comply with the Resource Conservation and Recovery Act, additional monitoring was conducted at individual waste sites by the Site Operating Contractor, Westinghouse Hanford Company (WHC), to assess the impact that specific facilities have had on ground-water quality. Six hundred and twenty-nine wells were sampled during 1990 by all Hanford ground-water monitoring activities.

  1. SITES-WATER RESOURCE SITE ANALYSIS COMPUTER PROGRAM, VERSION 2005

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The SITES Water Resource Site Analysis Computer program is used by USDA-NRCS and others for design and analysis of dams. The current program evolved from the DAMS2 program of the 1980’s with new features added for both functionality and ease of use. An Integrated Development Environment (IDE) was ...

  2. 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.

  3. INFLUENCE OF BACTERIAL ACTIVITY ON THE SPECIATION AND TRANSPORT OF ARSENIC ACROSS THE GROUND WATER-SURFACE WATER TRANSITION ZONE AT A CONTAMINATED SITE

    EPA Science Inventory

    Field investigations have been conducted to understand the fate of arsenic in contaminated ground water during discharge into a small lake. The ground water plume contains elevated levels of arsenic and BTEX compounds derived from historical disposal of process wastes from upgra...

  4. 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

    2016-02-01

    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. PMID:26653426

  5. 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. PMID:25746682

  6. Water sites at a clay interface

    SciTech Connect

    Grandjean, J.

    1997-01-15

    Aqueous suspensions of swelling clays (smectites) find uses in many industrial applications including drilling fluids, suspending agents and water treatment. {sup 2}H NMR quadrupolar splittings of clay suspensions monitor the orientation of water molecules near the solid surface. Two limiting water interfacial sites explain the results on montmorillonite, hectorite, and saponite suspensions. The location of cation isomorphous substitution and the Ca{sup 2+}/Na{sup +} molar ratio of exchangeable cations modulate their relative importance. With beidellite suspensions, water orientation at the clay surface cannot be described within the above scheme.

  7. 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.

  8. 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.

  9. 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.

  10. Dissecting the active site of a photoreceptor protein

    NASA Astrophysics Data System (ADS)

    Hoff, Wouter; Hara, Miwa; Ren, Jie; Moghadam, Farzaneh; Xie, Aihua; Kumauchi, Masato

    While enzymes are quite large molecules, functionally important chemical events are often limited to a small region of the protein: the active site. The physical and chemical properties of residues at such active sites are often strongly altered compared to the same groups dissolved in water. Understanding such effects is important for unraveling the mechanisms underlying protein function and for protein engineering, but has proven challenging. Here we report on our ongoing efforts on using photoactive yellow protein (PYP), a bacterial photoreceptor, as a model system for such effects. We will report on the following questions: How many residues affect active site properties? Are these residues in direct physical contact with the active site? Can functionally important residues be recognized in the crystal structure of a protein? What structural resolution is needed to understand active sites? What spectroscopic techniques are most informative? Which weak interactions dominate active site properties?

  11. Ground water maps of the Hanford Site

    SciTech Connect

    Kasza, G.L.; Harris, S.F.; Hartman, M.J.

    1990-12-01

    This report presents the results of the June 1990, ground water level measurement program at the 100 Areas and 200 Areas of the Hanford Site (Figure 1). The water levels beneath these areas are measured regularly on a semiannual basis and the data received are used to produce the following set of maps for public release. For clarity, the locating prefixes have been omitted from all well numbers shown on the maps. Wells in the 100 Areas have the prefix 199; wells in the 200 Areas have the prefix 299, and the wells outside these areas have the prefix 699. Ground Water Maps of the Hanford Site is prepared by the Geosciences Group, Environmental Division, Westinghouse Hanford Company, for the US Department of Energy, Richland Operations Office. 1 ref., 6 figs., 2 tabs.

  12. 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

  13. CLASSIFICATION OF THE MGR SITE WATER SYSTEM

    SciTech Connect

    J.A. Ziegler

    1999-08-31

    The purpose of this analysis is to document the Quality Assurance (QA) classification of the Monitored Geologic Repository (MGR) site water system structures, systems and components (SSCs) performed by the MGR Safety Assurance Department. This analysis also provides the basis for revision of YMP/90-55Q, Q-List (YMP 1998). The Q-List identifies those MGR SSCs subject to the requirements of DOE/RW-0333P, ''Quality Assurance Requirements and Description'' (QARD) (DOE 1998).

  14. In Situ Studies of the Active Sites for the Water Gas Shift Reaction over Cu-CeO2 Catalysts: Complex Interaction Between Metallic Copper and Oxygen Vacancies of Ceria

    SciTech Connect

    Wang,X.; Rodriguez, J.; Hanson, J.; Gamarra, D.; Martinez-Arias, A.; Fernandez-Garcia, M.

    2006-01-01

    New information about the active sites for the water gas shift (WGS) reaction over Cu-CeO{sub 2} systems was obtained using in-situ, time-resolved X-ray diffraction (TR-XRD), X-ray absorption spectroscopy (TR-XAS, Cu K and Ce L3 edges), and infrared spectroscopy (DRIFTS). Cu-CeO{sub 2} nanoparticles prepared by a novel reversed microemulsion method (doped Ce1-xCuxO2 sample) and an impregnation method (impregnated CuO{sub x}/CeO{sub 2} sample) were studied. The results from all of the samples indicate that both metallic copper and oxygen vacancies in ceria were involved in the generation of active sites for the WGS reaction. Evidence was found for a synergistic Cu-O vacancy interaction. This interaction enhances the chemical activity of Cu, and the presence of Cu facilitates the formation of O vacancies in ceria under reaction conditions. Water dissociation occurred on the O vacancy sites or the Cu-O vacancy interface. No significant amounts of formate were formed on the catalysts during the WGS reaction. The presence of strongly bound carbonates is an important factor for the deactivation of the catalysts at high temperatures. This work identifies for the first time the active sites for the WGS reaction on Cu-CeO{sub 2} catalysts and illustrates the importance of in situ structural studies for heterogeneous catalytic reactions.

  15. 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.

  16. Active Sites Environmental Monitoring Program: Program plan

    SciTech Connect

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

    1990-10-01

    DOE Order 5820.2A requires that low-level waste (LLW) disposal sites active on or after September 1988 and all transuranic (TRU) waste storage sites be monitored periodically to assure that radioactive contamination does not escape from the waste sites and pose a threat to the public or to the environment. This plan describes such a monitoring program for the active LLW disposal sites in SWSA 6 and the TRU waste storage sites in SWSA 5 North. 14 refs., 8 figs.

  17. 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

  18. Educational Activity Sites for High School Students

    ERIC Educational Resources Information Center

    Troutner, Joanne

    2005-01-01

    Finding quality Internet resources for high school students is a continuing challenge. Several high-quality web sites are presented for educators and students. These sites offer activities to learn how an art conservator looks at paintings, create a newspaper, research and develop an end product, build geometry and physics skills, explore science…

  19. 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

  20. 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. PMID:25664734

  1. 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.

  2. 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...

  3. Pipeline treats hydrotest water on site with carbon adsorption

    SciTech Connect

    Not Available

    1995-01-30

    Buckeye's more than 3,400 miles of pipeline serve 80 locations in 10 states, linking major US petroleum refiners with petroleum supply regions. Over the 5 years from 1993 to 1997, Buckeye forecast a need to handle an estimated 795,000 bbl (more than 33 million gal) of hydrotest water from its system. The challenge for Buckeye, therefore, was to find a suitable treatment system capable of treating large amounts of water on site in a short period. Additionally, the system had to be mobile and sturdy enough to be moved anywhere within the 3,400-mile system. Buckeye's environmental affairs department evaluated several technologies to find a solution capable of treating hydrotest water with benzene, toluene, ethylbenzene, and xylene (BTEX) concentrations ranging between 10 and 150 ppm. The system had to be capable of achieving greater than 99% removal of BTEX compounds to achieve the low part-per-billion levels required for surface-water discharge, while maintaining a consistently high flow rate (150--175 gpm). To ensure operation and approval throughout a 10-state service area, the selected treatment system had to use best demonstrated available technology (BDAT). In addition, the system needed to be easy to maintain, durable, intrinsically safe, readily available on short notice, compact, and mobile. Information supplied by vendors and consultants in water treatment led Buckeye's environmental affairs department to choose activated carbon for treating hydrotest water and Calgon Carbon as the supplier. The selected process is briefly described.

  4. 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,...

  5. 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

  6. 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

  7. Site-Wide Integrated Water Monitoring - Defining and Implementing Sampling Objectives to Support Site Closure - 13060

    SciTech Connect

    Wilborn, Bill; Knapp, Kathryn; Farnham, Irene; Marutzky, Sam

    2013-07-01

    The Underground Test Area (UGTA) activity is responsible for assessing and evaluating the effects of the underground nuclear weapons tests on groundwater at the Nevada National Security Site (NNSS), formerly the Nevada Test Site (NTS), and implementing a corrective action closure strategy. The UGTA strategy is based on a combination of characterization, modeling studies, monitoring, and institutional controls (i.e., monitored natural attenuation). The closure strategy verifies through appropriate monitoring activities that contaminants of concern do not exceed the SDWA at the regulatory boundary and that adequate institutional controls are established and administered to ensure protection of the public. Other programs conducted at the NNSS supporting the environmental mission include the Routine Radiological Environmental Monitoring Program (RREMP), Waste Management, and the Infrastructure Program. Given the current programmatic and operational demands for various water-monitoring activities at the same locations, and the ever-increasing resource challenges, cooperative and collaborative approaches to conducting the work are necessary. For this reason, an integrated sampling plan is being developed by the UGTA activity to define sampling and analysis objectives, reduce duplication, eliminate unnecessary activities, and minimize costs. The sampling plan will ensure the right data sets are developed to support closure and efficient transition to long-term monitoring. The plan will include an integrated reporting mechanism for communicating results and integrating process improvements within the UGTA activity as well as between other U.S. Department of Energy (DOE) Programs. (authors)

  8. Site-Wide Integrated Water Monitoring -- Defining and Implementing Sampling Objectives to Support Site Closure

    SciTech Connect

    Wilborn, Bill; Marutzky, Sam; Knapp, Kathryn

    2013-02-24

    The Underground Test Area (UGTA) activity is responsible for assessing and evaluating the effects of the underground nuclear weapons tests on groundwater at the Nevada National Security Site (NNSS), formerly the Nevada Test Site (NTS), and implementing a corrective action closure strategy. The UGTA strategy is based on a combination of characterization, modeling studies, monitoring, and institutional controls (i.e., monitored natural attenuation). The closure strategy verifies through appropriate monitoring activities that contaminants of concern do not exceed the SDWA at the regulatory boundary and that adequate institutional controls are established and administered to ensure protection of the public. Other programs conducted at the NNSS supporting the environmental mission include the Routine Radiological Environmental Monitoring Program (RREMP), Waste Management, and the Infrastructure Program. Given the current programmatic and operational demands for various water-monitoring activities at the same locations, and the ever-increasing resource challenges, cooperative and collaborative approaches to conducting the work are necessary. For this reason, an integrated sampling plan is being developed by the UGTA activity to define sampling and analysis objectives, reduce duplication, eliminate unnecessary activities, and minimize costs. The sampling plan will ensure the right data sets are developed to support closure and efficient transition to long-term monitoring. The plan will include an integrated reporting mechanism for communicating results and integrating process improvements within the UGTA activity as well as between other U.S. Department of Energy (DOE) Programs.

  9. Active site specificity of plasmepsin II.

    PubMed Central

    Westling, J.; Cipullo, P.; Hung, S. H.; Saft, H.; Dame, J. B.; Dunn, B. M.

    1999-01-01

    Members of the aspartic proteinase family of enzymes have very similar three-dimensional structures and catalytic mechanisms. Each, however, has unique substrate specificity. These distinctions arise from variations in amino acid residues that line the active site subsites and interact with the side chains of the amino acids of the peptides that bind to the active site. To understand the unique binding preferences of plasmepsin II, an enzyme of the aspartic proteinase class from the malaria parasite, Plasmodium falciparum, chromogenic octapeptides having systematic substitutions at various positions in the sequence were analyzed. This enabled the design of new, improved substrates for this enzyme (Lys-Pro-Ile-Leu-Phe*Nph-Ala/Glu-Leu-Lys, where * indicates the cleavage point). Additionally, the crystal structure of plasmepsin II was analyzed to explain the binding characteristics. Specific amino acids (Met13, Ser77, and Ile287) that were suspected of contributing to active site binding and specificity were chosen for site-directed mutagenesis experiments. The Met13Glu and Ile287Glu single mutants and the Met13Glu/Ile287Glu double mutant gain the ability to cleave substrates containing Lys residues. PMID:10548045

  10. 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.

  11. 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.

  12. 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.

  13. 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

    2014-12-01

    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. PMID:25315041

  14. The cooperative binding of phenylalanine to phenylalanine 4-monooxygenase studied by 1H-NMR paramagnetic relaxation. Changes in water accessibility to the iron at the active site upon substrate binding.

    PubMed

    Martínez, A; Olafsdottir, S; Flatmark, T

    1993-01-15

    The effect of the paramagnetic high-spin Fe(III) ion in phenylalanine 4-monooxygenase (phenylalanine hydroxylase, EC 1.14.16.1) on the water proton longitudinal relaxation rate has been used to study the environment of the iron center. The relaxation rate was measured as a function of the concentration of enzyme, substrate (phenylalanine), inhibitor (noradrenaline) and activator (lysolecithin), as well as of the temperature (18-40 degrees C) and the external magnetic field strength (100-600 MHz). From the frequency dependence of the relaxation rate, an effective correlation time (tau c) of 4.2(+/- 0.5) x 10(-10) s was calculated for the enzyme-substrate complex, which most likely represents the electron spin relaxation rate (tau s) for Fe(III) (S = 5/2) in this complex. The relaxation rate was proportional to the concentration of enzyme (0.04-1 mM) both in the absence and presence of phenylalanine, but the paramagnetic molar relaxivity at 400 MHz and 22 degrees C decreased from 2.2(+/- 0.05) x 10(3) s-1.M-1 in the enzyme as isolated to 1.2(+/- 0.06) x 10(3) s-1.M-1 in the presence of saturating concentrations of the substrate. The activation energy of the relaxation rate also decreased from 11.3 +/- 0.8 kJ/mol to -1.5 +/- 0.2 kJ/mol upon incubation of the enzyme with 5 mM phenylalanine. The results obtained can be interpreted in terms of a slowly exchanging water molecule coordinated to the catalytic paramagnetic Fe(III) in the native and resting enzyme, and that this water molecule seems to be displaced from coordination on the binding of substrate or inhibitor. Moreover, the effect of increasing concentrations of phenylalanine and noradrenaline on the water proton relaxation rate and on the hydrophobic surface properties of the enzyme indicate that substrate and inhibitor induce a similar cooperative conformational change upon binding at the active site. By contrast, the activator lysolecithin does not seem to affect the interaction of water with the catalytic Fe

  15. 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.

  16. 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…

  17. Spectroscopic Definition of the Ferroxidase Site in M Ferritin: Comparison of Binuclear Substrate vs. Cofactor Active Sites

    PubMed Central

    Schwartz, Jennifer K.; Liu, Xiaofeng S.; Tosha, Takehiko; Theil, Elizabeth C.; Solomon, Edward I.

    2008-01-01

    Maxi ferritins, 24 subunit protein nanocages, are essential in humans, plants, bacteria, and other animals for the concentration and storage of iron as hydrated ferric oxide, while minimizing free radical generation or use by pathogens. Formation of the precursors to these ferric oxides is catalyzed at a non-heme biferrous substrate site, which has some parallels with the cofactor sites in other biferrous enzymes. A combination of circular dichroism (CD), magnetic circular dichroism (MCD), and variable-temperature, variable-field MCD (VTVH MCD) has been used to probe Fe(II) binding to the substrate active site in frog M ferritin. These data determined that the active site within each subunit consists of two inequivalent five-coordinate (5C) ferrous centers that are weakly anti-ferromagnetically coupled, consistent with a μ-1,3 carboxylate bridge. The active site ligand set is unusual and likely includes a terminal water bound to each Fe(II) center. The Fe(II) ions bind to the active sites in a concerted manner, and cooperativity among the sites in each subunit is observed, potentially providing a mechanism for the control of ferritin iron loading. Differences in geometric and electronic structure – including a weak ligand field, availability of two water ligands at the biferrous substrate site, and the single carboxylate bridge in ferritin – coincide with the divergent reaction pathways observed between this substrate site and the previously studied cofactor active sites. PMID:18576633

  18. 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

  19. Continuous tritium effluent water monitor at the Savannah River Site

    SciTech Connect

    Hofstetter, K.J.; Wilson, H.T.

    1992-01-01

    A continuous monitor for tritium in water has been installed in the secondary cooling water effluent from the K-Reactor at the Savannah River Site (SRS). The monitor is designed to provide early detection of a small leak of the tritiated heavy water moderator and facilitate rapid isolation procedures. The tritium detector consists of an analysis cell containing 0.1--0.25 mm diameter beads of plastic scintillator interposed between two photomultiplier tubes and standard fast-slow coincidence electronics. A small portion of the effluent stream is first filtered through a series of cartridge filters (0.2 [mu]m final filter) and then chemically treated by ion exchange resin and activated charcoal before reaching the cell. Flow through the detector is [approx]3 mL/min. The tritium effluent water monitor (TEWM) will alarm if the tritium in the outfall exceeds 56 Bq/mL during a 10 minute counting interval. The installation and performance of the TEWM are discussed.

  20. Continuous tritium effluent water monitor at the Savannah River Site

    SciTech Connect

    Hofstetter, K.J.; Wilson, H.T.

    1992-11-01

    A continuous monitor for tritium in water has been installed in the secondary cooling water effluent from the K-Reactor at the Savannah River Site (SRS). The monitor is designed to provide early detection of a small leak of the tritiated heavy water moderator and facilitate rapid isolation procedures. The tritium detector consists of an analysis cell containing 0.1--0.25 mm diameter beads of plastic scintillator interposed between two photomultiplier tubes and standard fast-slow coincidence electronics. A small portion of the effluent stream is first filtered through a series of cartridge filters (0.2 {mu}m final filter) and then chemically treated by ion exchange resin and activated charcoal before reaching the cell. Flow through the detector is {approx}3 mL/min. The tritium effluent water monitor (TEWM) will alarm if the tritium in the outfall exceeds 56 Bq/mL during a 10 minute counting interval. The installation and performance of the TEWM are discussed.

  1. Active sites environmental monitoring program. Annual report FY 1992

    SciTech Connect

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

    1994-04-01

    This report summarizes the activities of the Active Sites Environmental Monitoring Program (ASEMP) at ORNL from October 1991 through September 1992. Solid Waste Operations and the Environmental Sciences Division established ASEMP in 1989 to provide early detection and performance monitoring at active low-level waste (LLW) disposal sites in Solid Waste Storage Area (SWSA) 6 and transuranic (TRU) waste storage sites in SWSA 5 as required by Chapter 2 and 3 of US Department of Energy Order 5820.2A. The Interim Waste Management Facility (IWMF) began operation in December 1991. Monitoring results from the tumulus and IWMF disposal pads continue to indicate that no LLW is leaching from the storage vaults. Storm water falling on the IWMF active pad was collected and transported to the Process Waste Treatment Plant while operators awaited approval of the National Pollutant Discharge Elimination System (NPDES) permit. Several of the recent samples collected from the active IWMF pad had pH levels above the NPDES limit of 9.0 because of alkali leached from the concrete. The increase in gross beta activity has been slight; only 1 of the 21 samples collected contained activity above the 5.0 Bq/L action level. Automated sample-collection and flow-measurement equipment has been installed at IWMF and is being tested. The flume designed to electronically measure flow from the IWMF pads and underpads is too large to be of practical value for measuring most flows at this site. Modification of this system will be necessary. A CO{sub 2} bubbler system designed to reduce the pH of water from the pads is being tested at IWMF.

  2. Water at the Phoenix landing site

    NASA Astrophysics Data System (ADS)

    Smith, Peter Hollingsworth

    The Phoenix mission investigated patterned ground and climate in the northern arctic region of Mars for 5 months starting May 25, 2008. A shallow ice table was uncovered by the robotic arm in a nearby polygon's edge and center at depths of 5-15 cm. In late summer snowfall and frost blanket the surface at night; water ice and vapor constantly interact with the soil. Analysis reveals an alkaline Ph with CaCO 3 , aqueous minerals, and salts making up several wt% of the soil; liquid water is implicated as having been important in creating these components. In combination with the oxidant perchlorate (~1 wt%), an energy source for terrestrial microbes, and a prior epoch of higher temperatures and humidity, this region may have been a habitable zone.

  3. 1. AERIAL VIEW LOOKING SOUTHEAST, SHOWING WATER WORKS SITE AND ...

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

    1. AERIAL VIEW LOOKING SOUTHEAST, SHOWING WATER WORKS SITE AND PHILADELPHIA MUSEUM OF ART ON HILL ABOVE - Fairmount Waterworks, East bank of Schuylkill River, Aquarium Drive, Philadelphia, Philadelphia County, PA

  4. 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.

  5. Active site of ribulosebisphosphate carboxylase/oxygenase

    SciTech Connect

    Hartman, F.C.; Stringer, C.D.; Milanez, S.; Lee, E.H.

    1985-01-01

    Previous affinity labeling studies and comparative sequence analyses have identified two different lysines at the active site of ribulosebisphosphate carboxylase/oxygenase and have suggested their essentiality to function. The essential lysines occupy positions 166 and 329 in the Rhodospirillum rubrum enzyme and positions 175 and 334 in the spinach enzyme. Based on the pH-dependencies of inactivations of the two enzymes by trinitrobenzene sulfonate, Lys-166 (R. rubrum enzyme) exhibits a pK/sub a/ of 7.9 and Lys-334 (spinach enzyme) exhibits a pK/sub a/ of 9.0. These low pK/sub a/ values as well as the enhanced nucleophilicities of the lysyl residues argue that both are important to catalysis rather than to substrate binding. Lys-166 may correspond to the essential base that initiates catalysis and that displays a pK/sub a/ of 7.5 in the pH-curve for V/sub max//K/sub m/. Cross-linking experiments with 4,4'-diisothiocyano-2,2'-disulfonate stilbene demonstrate that the two active-site lysines are within 12 A. 50 refs., 7 figs., 1 tab.

  6. 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.

  7. 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.

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

    PubMed

    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

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    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.

  10. 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

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

    PubMed Central

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

    2012-01-01

    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. PMID:21926991

  13. 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.

  14. 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.

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

    PubMed

    Deng, Mingsen; Shen, Hujun

    2016-02-01

    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. PMID:26747089

  16. 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.

  17. Water permeation through Nafion membranes: the role of water activity.

    PubMed

    Majsztrik, Paul; Bocarsly, Andrew; Benziger, Jay

    2008-12-25

    The permeation of water through 1100 equivalent weight Nation membranes has been measured for film thicknesses of 51-254 microm, temperatures of 30-80 degrees C, and water activities (a(w)) from 0.3 to 1 (liquid water). Water permeation coefficients increased with water content in Nafion. For feed side water activity in the range 0 < a(w) < 0.8, permeation coefficients increased linearly with water activity and scaled inversely with membrane thickness. The permeation coefficients were independent of membrane thickness when the feed side of the membrane was in contact with liquid water (a(w) = 1). The permeation coefficient for a 127 microm thick membrane increased by a factor of 10 between contacting the feed side of the membrane to water vapor (a(w) = 0.9) compared to liquid water (a(w) = 1). Water permeation couples interfacial transport across the fluid membrane interface with water transport through the hydrophilic phase of Nafion. At low water activity the hydrophilic volume fraction is small and permeation is limited by water diffusion. The volume fraction of the hydrophilic phase increases with water activity, increasing water transport. As a(w) --> 1, the effective transport rate increased by almost an order of magnitude, resulting in a change of the limiting transport resistance from water permeation across the membrane to interfacial mass transport at the gas/membrane interface. PMID:19053672

  18. 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.

  19. Chemistry and movement of ground water, Nevada Test Site

    USGS Publications Warehouse

    Schoff, S.L.; Moore, J.E.

    1964-01-01

    Three chemical types of ground water are distinguished at the Nevada Test Site and vicinity. A sodium-potassium water is related to tuff (in part zeolitized) and to alluvium containing detrital tuff. A calcium-magnesium water is related to limestone and dolomite, or to alluvium containing detritus of these rock types. A mixed chemical type, containing about as much sodium and potassium as calcium and magnesium, may result from the addition of one of the first two types of water to the other; to passage of water first through tuff and then through carbonate rock, or vice versa; and to ion-exchange during water travel. Consideration of the distribution of these water types, together with the distribution of sodium in the water and progressive changes in the dissolved solids, suggests that the ground water in the Nevada Test Site probably moves toward the Amargosa Desert, not into Indian Spring Valley and thence southeastward toward Las Vegas. The low dissolved solids content of ground-water reservoirs in alluvium and tuff of the enclosed basins indicates that recharge is local in origin.

  20. Water treatment plant site location using rough set theory.

    PubMed

    Arabani, M; Pirouz, M

    2015-10-01

    Currently, advanced methods have been developed to select an appropriate site for an engineering project. The ability to make a good decision in site selection can help the engineers to reduce the expensive costs, which are very important in large construction projects. In this paper, a new approach for site selection is presented. This method is based on rough set theory which is a mathematical theory presented by professor Pawlak. In this study, the results of the rough set decision-making are compared with the results of the regression method in a practical case study for the site location of a water treatment plant in Ardabil Province in the northwest of Iran, to demonstrate that the rough set theory provides a useful method for site selection. The results of practical studies indicate that using this method for site selection decision-making can reduce costs and prevent hazards that may happen due to civil engineering uncertainties. PMID:27613288

  1. 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.

  2. 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…

  3. Dose assessment for process water tunnels at Hanford Site.

    SciTech Connect

    Kamboj, S.; Yu, C.; LePoire, D.; Environmental Assessment

    2000-01-01

    The RESRAD-BUILD and RESRAD computer codes were used for dose assessment of the 105-C Process Water Tunnels at the Hanford Site. The evaluation assessed three different exposure scenarios: recreational use, tunnel maintenance worker, and residential use. The recreationist and maintenance worker scenarios were evaluated by using RESRAD-BUILD, a computer model for analyzing the radiological doses resulting from remediation and occupancy of structures contaminated with radioactive material. The recreationist was assumed to use the tunnels as an overnight shelter for eight hours per day for one week. The maintenance worker was assumed to spend 20 hours per year working in the tunnel. Six exposure pathways were considered for both scenarios in dose assessment. The gradual removal of surface contamination over time and ingrowth of decay products were considered in calculating the dose at different times. The maximum dose would occur immediately after the release and was estimated to be 1.9 mrem/yr for the recreationist and 0.9 mrem/yr for the maintenance worker. The residential scenario was evaluated by using the probabilistic RESRAD code. It was assumed that total activity from the tunnels would be brought into the near-surface layer by future human activities. Eight exposure pathways were considered. The maximum yearly dose for this very unlikely scenario would occur immediately after the release and was less than 4 mrem/yr for the maximally exposed individual. The assessment demonstrates that both codes are suitable for nuclear facility decontamination and decommissioning sites, where buildings and structures with residual radioactivity must be evaluated to facilitate property transfer or release.

  4. Hanford Site environmental data for calendar year 1990 -- Ground water

    SciTech Connect

    Dresel, P.E.; Bates, D.J.; Merz, J.K.

    1993-03-01

    This report tabulates ground-water radiological and chemical data for calendar year 1990 by the Ground-Water Surveillance Project, reported Resource Conservation and Recovery Act (RCRA) Monitoring, and Operational Monitoring. The Ground-Water Surveillance Project is conducted by the Pacific Northwest Laboratory and the RCRA and Operational Monitoring Projects are conducted by the Westinghouse Hanford Company. This document supplements the reports Hanford Site Ground-Water Monitoring for 1990 (Evans et al. 1992) and mental Report for Calendar Year 1990 (Woodruff and Hanf 1991). The data listings provided here were generated from the Hanford Environmental Information System database.

  5. 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.

  6. 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).

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

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

    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.

  8. Coal conversion siting on coal mined lands: water quality issues

    SciTech Connect

    Triegel, E. K.

    1980-01-01

    The siting of new technology coal conversion facilities on land disturbed by coal mining results in both environmental benefits and unique water quality issues. Proximity to mining reduces transportation requirements and restores disrupted land to productive use. Uncertainties may exist, however, in both understanding the existing site environment and assessing the impact of the new technology. Oak Ridge National Laboratory is currently assessing the water-related impacts of proposed coal conversion facilities located in areas disturbed by surface and underground coal mining. Past mining practices, leaving highly permeable and unstable fill, may affect the design and quality of data from monitoring programs. Current mining and dewatering, or past underground mining may alter groundwater or surface water flow patterns or affect solid waste disposal stability. Potential acid-forming material influences the siting of waste disposal areas and the design of grading operations. These and other problems are considered in relation to the uncertainties and potentially unique problems inherent in developing new technologies.

  9. 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.

  10. A single-site multipole model for liquid water.

    PubMed

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

    2016-07-21

    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. PMID:27448890

  11. 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.

  12. 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.

  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 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.

  15. The water cycle at the Phoenix landing site, Mars

    NASA Astrophysics Data System (ADS)

    Cull, Selby

    2010-01-01

    The water cycle is critically important to understanding Mars system science, especially interactions between water and surface minerals or possible biological systems. In this thesis, the water cycle is examined at the Mars Phoenix landing site (68.22°N, 125.70°W), using data from the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM), High-Resolution Imaging Science Experiment (HiRISE), the Phoenix Lander Surface Stereo Imager (SSI), and employing non-linear spectral mixing models. The landing site is covered for part of the year by the seasonal ice cap, a layer of CO2 and H2O ice that is deposited in mid-fall and sublimates in mid-spring. During the mid-summer, H2O ice is deposited on the surface at the Phoenix landing site. CO2 ice forms at the site during fall. The onset date of seasonal ices varies annually, perhaps due to variable levels of atmospheric dust. During fall and winter, the CO2 ice layer thickens and sinters into a slab of ice, ˜30 cm thick. After the spring equinox, the CO2 slab breaks into smaller grains as it sublimates. Long before all of the CO2 ice is gone, H2O ice dominates the near-infrared spectra of the surface. Additional H2O ice is cold-trapped onto the surface of the CO2 ice deposit during this time. Sublimation during the spring is not uniform, and depends on the thermal inertia properties of the surface, including depth of ground ice. All of the seasonal ices have sublimated by mid-spring; however, a few permanent ice deposits remain throughout the summer. These are small water ice deposits on the north-facing slopes of Heimdal Crater and adjacent plateaus, and a small patch of mobile water ices that chases shadows in a small crater near the landing site. During the late spring and early summer, the site is free of surface ice. During this time, the water cycle is dominated by vapor exchange between the subsurface water ice deposits and the atmosphere. Two types of subsurface ice were found at the Phoenix landing site

  16. 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.

  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. 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…

  19. Atomically-thin two-dimensional sheets for understanding active sites in catalysis.

    PubMed

    Sun, Yongfu; Gao, Shan; Lei, Fengcai; Xie, Yi

    2015-02-01

    Catalysis can speed up chemical reactions and it usually occurs on the low coordinated steps, edges, terraces, kinks and corner atoms that are often called "active sites". However, the atomic level interplay between active sites and catalytic activity is still an open question, owing to the large difference between idealized models and real catalysts. This stimulates us to pursue a suitable material model for studying the active sites-catalytic activity relationship, in which the atomically-thin two-dimensional sheets could serve as an ideal model, owing to their relatively simple type of active site and the ultrahigh fraction of active sites that are comparable to the overall atoms. In this tutorial review, we focus on the recent progress in disclosing the factors that affect the activity of reactive sites, including characterization of atomic coordination number, structural defects and disorder in ultrathin two-dimensional sheets by X-ray absorption fine structure spectroscopy, positron annihilation spectroscopy, electron spin resonance and high resolution transmission electron microscopy. Also, we overview their applications in CO catalytic oxidation, photocatalytic water splitting, electrocatalytic oxygen and hydrogen evolution reactions, and hence highlight the atomic level interplay among coordination number, structural defects/disorder, active sites and catalytic activity in the two-dimensional sheets with atomic thickness. Finally, we also present the major challenges and opportunities regarding the role of active sites in catalysis. We believe that this review provides critical insights for understanding the catalysis and hence helps to develop new catalysts with high catalytic activity. PMID:25382246

  20. 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.

  1. 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.

  2. 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…

  3. Mars Surveyor Project Landing Site Activities

    NASA Technical Reports Server (NTRS)

    Gulick, Virginia C.; Briggs, Geoffrey; Saunders, R. Stephen; Gilmore, Martha; Soderblom, Larry

    1999-01-01

    The Mars Surveyor Program --now a cooperative program led by NASA and CNES along with other international partners -- is underway. It has the primary science objective of furthering our understanding of the biological potential and possible biological history of Mars and has the complementary objective of improving our understanding of martian climate evolution and planetary history The missions will develop technology and acquire data necessary for eventual human Exploration. Launches of orbiters, landers and rovers will take place in 2001 and in 2003; in 2005 a complete system will be launched capable of returning samples to Earth by 2008. A key aspect of the program is the selection of landing sites. This abstract 1) reports on the status of the landing site selection process that begins with the 2001 lander mission and 2) outlines be opportunities for the Mars community to provide input into the landing site selection process.

  4. Mars Surveyor Project Landing Site Activities

    NASA Technical Reports Server (NTRS)

    Gulick, V. C.; Briggs, Geoffrey; Saunders, R. Stephen; Gilmore, Martha; Soderblom, Larry

    1999-01-01

    The Mars Surveyor Program -- now a cooperative program led by NASA and CNES along with other international partners -- is underway. It has the primary science objective of furthering our understanding of the biological potential and possible biological history of Mars and has the complementary objective of improving our understanding of martian climate evolution and planetary history. The missions will develop technology and acquire data necessary for eventual human exploration. Launches of orbiters, landers and rovers will take place in 2001 and in 2003; in 2005 a complete system will be launched capable of returning samples to Earth by 2008. A key aspect of the program is the selection of landing sites. This abstract 1) reports on the status of the landing site selection process that begins with the 2001 lander mission and 2) outlines the opportunities for the Mars community to provide input into the landing site selection process.

  5. The bifunctional active site of s-adenosylmethionine synthetase. Roles of the active site aspartates.

    PubMed

    Taylor, J C; Markham, G D

    1999-11-12

    S-Adenosylmethionine (AdoMet) synthetase catalyzes the biosynthesis of AdoMet in a unique enzymatic reaction. Initially the sulfur of methionine displaces the intact tripolyphosphate chain (PPP(i)) from ATP, and subsequently PPP(i) is hydrolyzed to PP(i) and P(i) before product release. The crystal structure of Escherichia coli AdoMet synthetase shows that the active site contains four aspartate residues. Aspartate residues Asp-16* and Asp-271 individually provide the sole protein ligand to one of the two required Mg(2+) ions (* denotes a residue from a second subunit); aspartates Asp-118 and Asp-238* are proposed to interact with methionine. Each aspartate has been changed to an uncharged asparagine, and the metal binding residues were also changed to alanine, to assess the roles of charge and ligation ability on catalytic efficiency. The resultant enzyme variants all structurally resemble the wild type enzyme as indicated by circular dichroism spectra and are tetramers. However, all have k(cat) reductions of approximately 10(3)-fold in AdoMet synthesis, whereas the MgATP and methionine K(m) values change by less than 3- and 8-fold, respectively. In the partial reaction of PPP(i) hydrolysis, mutants of the Mg(2+) binding residues have >700-fold reduced catalytic efficiency (k(cat)/K(m)), whereas the D118N and D238*N mutants are impaired less than 35-fold. The catalytic efficiency for PPP(i) hydrolysis by Mg(2+) site mutants is improved by AdoMet, like the wild type enzyme. In contrast AdoMet reduces the catalytic efficiency for PPP(i) hydrolysis by the D118N and D238*N mutants, indicating that the events involved in AdoMet activation are hindered in these methionyl binding site mutants. Ca(2+) uniquely activates the D271A mutant enzyme to 15% of the level of Mg(2+), in contrast to the approximately 1% Ca(2+) activation of the wild type enzyme. This indicates that the Asp-271 side chain size is a discriminator between the activating ability of Ca(2+) and the

  6. 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.

  7. 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...

  8. 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…

  9. Operation of a solar photocatalytic water treatment system at a Superfund Site

    NASA Astrophysics Data System (ADS)

    Pacheco, J. E.; Mehos, M.; Turchi, C.; Link, H.

    A solar photocatalytic process has been under development at both Sandia National Laboratories and the National Renewable Energy Laboratory (formerly the Solar Energy Research Institute). This process uses solar ultraviolet light to activate a titanium dioxide catalyst which oxidizes organic contaminants in water. In the summer of 1991, a solar photocatalytic detoxification of water system was installed and tested at a California Superfund Site located at Lawrence Livermore National Laboratory. The site was designated a Superfund Site because of widespread groundwater contamination which resulted from the release of chlorinated solvents, principally trichloroethylene, when the site was a Naval Air Station in the early 1940s. The objectives of these experiments were to measure the effects of process variables and the process efficiency in an actual remediation setting, to collect experimental data and operating experience in photocatalytic oxidation of organic contaminants, to develop accurate models of the system operation, and to develop control strategies.

  10. Simulated rainfall experiments on water repellent post mine sites

    NASA Astrophysics Data System (ADS)

    Kunth, Franziska; Schmidt, Jürgen

    2013-04-01

    Reclaimed lignite mine areas are heavily endangered by erosion by water. This leads to heavy soil losses, especially on hydrophobic and non-vegetated soil surfaces. Beyond that, erosion-induced discharge of detached dump particles in abandoned open pits leads to acidification of surface waters. Therefore land management in former mining regions requires long-term and safe structuring of recultivation areas. The objective of this ongoing study is the development of a methodology to determine erosion risks on slopes in recultivation areas with the help of the event-based physical erosion model EROSION 2D/3D (Schmidt, 1991, 1992; v. Werner, 1995). The widely used model is able to predict runoff as well as detachment, transport and deposition of sediments. Lignite dump materials show strong water repellency due to hydrophobic substances that coat soil particles. As affecting infiltration processes the effect of water repellency had to be implemented into EROSION 2D/3D. To obtain necessary input data for erosion modelling (hydraulic roughness, infiltration rates, calibration factors, etc.) a number of rainfall experiments on non-vegetated as well as recultivated reclaimed mine sites in the Lusatia lignite mining region (southeast of Berlin, Germany) were conducted. Very low infiltration rates were measured on non-vegetated water repellent sites. These processes could be described by EROSION 2D infiltration modelling. Changes of surface runoff and particle detachment and dynamic effects on infiltration are considered with the experimentally determined parameters "skin-factor", "resistance to erosion" and "hydraulic roughness". Current analysis show that a newly developed water repellency-factor helps to depict infiltration and erosion processes on water repellent dump soils.

  11. 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 .

  12. 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.

  13. A study on the flexibility of enzyme active sites

    PubMed Central

    2011-01-01

    Background A common assumption about enzyme active sites is that their structures are highly conserved to specifically distinguish between closely similar compounds. However, with the discovery of distinct enzymes with similar reaction chemistries, more and more studies discussing the structural flexibility of the active site have been conducted. Results Most of the existing works on the flexibility of active sites focuses on a set of pre-selected active sites that were already known to be flexible. This study, on the other hand, proposes an analysis framework composed of a new data collecting strategy, a local structure alignment tool and several physicochemical measures derived from the alignments. The method proposed to identify flexible active sites is highly automated and robust so that more extensive studies will be feasible in the future. The experimental results show the proposed method is (a) consistent with previous works based on manually identified flexible active sites and (b) capable of identifying potentially new flexible active sites. Conclusions This proposed analysis framework and the former analyses on flexibility have their own advantages and disadvantage, depending on the cause of the flexibility. In this regard, this study proposes an alternative that complements previous studies and helps to construct a more comprehensive view of the flexibility of enzyme active sites. PMID:21342563

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

    2013-09-01

    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. PMID:23885945

  20. Hydrologic Instrumentation of Field Sites to Understand Short Term Changes in Water Quality

    NASA Astrophysics Data System (ADS)

    Iqbal, M. Z.; Clayton, M.

    2011-12-01

    This project is funded by a successful NSF-CCLI grant currently in effect. The objective of this project is to build a real time water quality monitoring facility by the Dry Run Creek on the University of Northern Iowa campus. The long term goal is to turn this site into a model outdoor educational resource for students to study the critical elements of the hydrologic environment. Weekly class sessions otherwise make it difficult for students to deal with the daily changes is water chemistry. Upon completion of the project, students will be able to look at the diurnal variations in the water quality through a website available for public viewing. Besides, they will have the opportunity to participate in a variety of research and learning activities directly at the site. Four (4) pieces of instruments are in the process of being installed at the experimental site. The instruments are 1) YSI 6600 V2 extended deployment probe to measure water quality parameters in the Dry Run Creek (i.e., pH, Total Dissolved Solids, conductivity, Dissolved Oxygen, temperature, turbidity, chlorophyll, etc.); 2) OTT RLS Radar to measure water level fluctuations in the creek; 3) Hydrolab MS5 mini-sonde to continuously measure pH, TDS, conductivity, DO, temperature, turbidity, and nitrate in a 70 ft deep ground water well on the site; and 4) DL 3000 data logger to receive all data from the above 3 pieces of equipment and automatically upload them to a website. Site preparation, including digging trenches for data cable and electric wires has been completed. Instrumental calibration is in progress and the site is expected to be up and running soon. We expect that this well site expansion plan will considerably strengthen our hydrology curriculum and facilitate more effective dissemination of the project outcome.

  1. Ionizable Side Chains at Catalytic Active Sites of Enzymes

    PubMed Central

    Jimenez-Morales, David; Liang, Jie

    2012-01-01

    Catalytic active sites of enzymes of known structure can be well defined by a modern program of computational geometry. The CASTp program was used to define and measure the volume of the catalytic active sites of 573 enzymes in the Catalytic Site Atlas database. The active sites are identified as catalytic because the amino acids they contain are known to participate in the chemical reaction catalyzed by the enzyme. Acid and base side chains are reliable markers of catalytic active sites. The catalytic active sites have 4 acid and 5 base side chains, in an average volume of 1072 Å3. The number density of acid side chains is 8.3 M (in chemical units); the number density of basic side chains is 10.6 M. The catalytic active site of these enzymes is an unusual electrostatic and steric environment in which side chains and reactants are crowded together in a mixture more like an ionic liquid than an ideal infinitely dilute solution. The electrostatics and crowding of reactants and side chains seems likely to be important for catalytic function. In three types of analogous ion channels, simulation of crowded charges accounts for the main properties of selectivity measured in a wide range of solutions and concentrations. It seems wise to use mathematics designed to study interacting complex fluids when making models of the catalytic active sites of enzymes. PMID:22484856

  2. 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

  3. Active site and laminarin binding in glycoside hydrolase family 55.

    PubMed

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

    2015-05-01

    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

  4. Ground Water at Grant Village Site, Yellowstone National Park, Wyoming

    USGS Publications Warehouse

    Gordon, Ellis D.; McCullough, Richard A.; Weeks, Edwin P.

    1961-01-01

    On behalf of the National Park Service, the U.S. Geological Survey during the summer of 1959 made a study of ground-water conditions in the area of the Grant Village site, along the shore of the West Thumb of Yellowstone Lake, 1 to 2 miles south of the present facilities at West Thumb. The water supply for the present development at West Thumb is obtained from Duck Lake, but the quantity of water available from this source probably will be inadequate for the planned development at Grant Village. During the investigation, 11 auger holes were bored and 6 test wells were drilled. Aquifer tests by pumping and bailing methods were made at two of the test wells. All material penetrated in the auger holes and test wells is of Quaternary age except the welded tuff of possible Pliocene age that was penetrated in the lower part of test well 4. Small to moderate quantities of water were obtained from the test wells in the area. Test well 2 yielded 35 gpm (gallons per minute) at a temperature of nearly 100 deg F. Test well 6 yielded about 15 gpm at a temperature of 48 deg F. The yield of this well might be increased by perforation of additional sections of casing, followed by further development of the well. Water from the other four test wells was of inadequate quantity, too highly mineralized, or too warm to be effectively utilized. Most of the ground water sampled had high concentrations of silica and iron, and part of the water was excessively high in fluoride content. Otherwise, the ground water was of generally suitable quality for most uses. The most favorable area for obtaining water supplies from wells is near the lakeshore, where a large part of the water pumped would be ground-water flow diverted from its normal discharge into the lake. Moderate quantities of relatively cool water of fairly good quality may be available near the lakeshore between test wells 5 and 6 and immediately east of test well 6.

  5. 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.

  6. 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.

  7. Active Sites Environmental Monitoring Program FY 1996 annual report

    SciTech Connect

    Morrissey, C.M.; Marshall, D.S.; Cunningham, G.R.

    1997-11-01

    This report summarizes the activities of the Active Sites Environmental Monitoring Program (ASEMP) from October 1995 through September 1996. The Radioactive Solid Waste Operations Group (RSWOG) of the Waste Management and Remedial Action Division (WMRAD) and the Environmental Sciences Division (ESD) at Oak Ridge National Laboratory (ORNL) established ASEMP in 1989. The purpose of the program is to provide early detection and performance monitoring at active low-level waste (LLW) disposal sites in Solid Waste Storage Area (SWSA) 6 and transuranic (TRU) waste storage sites in SWSA 5 North as required by Chapters 2 and 3 of US Department of Energy Order 5820.2A.

  8. Active sites environmental monitoring Program - Program Plan: Revision 2

    SciTech Connect

    Morrissey, C.M.; Hicks, D.S.; Ashwood, T.L.; Cunningham, G.R.

    1994-05-01

    The Active Sites Environmental Monitoring Program (ASEMP), initiated in 1989, provides early detection and performance monitoring of active low-level-waste (LLW) and transuranic (TRU) waste facilities at Oak Ridge National Laboratory (ORNL). Several changes have recently occurred in regard to the sites that are currently used for waste storage and disposal. These changes require a second set of revisions to the ASEMP program plan. This document incorporates those revisions. This program plan presents the organization and procedures for monitoring the active sites. The program plan also provides internal reporting levels to guide the evaluation of monitoring results.

  9. 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).

  10. 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.

  11. Recent Advances in GEO Water Cycle Activities

    NASA Astrophysics Data System (ADS)

    Lawford, R. G.

    2009-12-01

    Over the past few years GEO (Group on Earth Observations) efforts within the Water Societal Benefit Area (SBA) have been coordinated by the Science Committee of the former Integrated Global Observing Strategy Partnership (IGOS-P) IGWCO (Integrated Global Water Cycle Observations) theme. Within this framework a number of projects related to data system design, product development, and capacity building are being carried out. GEO has recently consolidated the Water SBA activities into three tasks, namely Droughts, Floods and Water Resource Management; Capacity Building for Water Resource Management (in Asia, Africa and the Americas); and Integrated Products for Water Resource Management and Research. In order to strengthen interactions with the GEO and its User Interface Committee, a Water Cycle Community of Practice (COP) was initiated. In addition, within the past year, the IGWCO Science Committee has decided to also function as a Community of Practice in collaboration with the existing Water Cycle COP. This overview will provide background and an update on the GEO Water SBA activities with an emphasis of the way in which these activities are being integrated within the three tasks. It will also describe activities that are planned for 2010 to facilitate this integration. Recent advances related to drought monitoring, capacity and network building, and observational and data systems will be highlighted. New water-related activities arising from collaborations between US GEO and Canada GEO, and through activities within the GEO Architecture and Data Committee, will also be described. This presentation will conclude with a longer-term outlook for water within the GEO framework and provide some guidance for interested experts on how they can become involved in helping to implement these plans.

  12. 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. 

  13. The active site behaviour of electrochemically synthesised gold nanomaterials.

    PubMed

    Plowman, Blake J; O'Mullane, Anthony P; Bhargava, Suresh K

    2011-01-01

    Even though gold is the noblest of metals, a weak chemisorber and is regarded as being quite inert, it demonstrates significant electrocatalytic activity in its nanostructured form. It is demonstrated here that nanostructured and even evaporated thin films of gold are covered with active sites which are responsible for such activity. The identification of these sites is demonstrated with conventional electrochemical techniques such as cyclic voltammetry as well as a large amplitude Fourier transformed alternating current (FT-ac) method under acidic and alkaline conditions. The latter technique is beneficial in determining if an electrode process is either Faradaic or capacitive in nature. The observed behaviour is analogous to that observed for activated gold electrodes whose surfaces have been severely disrupted by cathodic polarisation in the hydrogen evolution region. It is shown that significant electrochemical oxidation responses occur at discrete potential values well below that for the formation of the compact monolayer oxide of bulk gold and are attributed to the facile oxidation of surface active sites. Several electrocatalytic reactions are explored in which the onset potential is determined by the presence of such sites on the surface. Significantly, the facile oxidation of active sites is used to drive the electroless deposition of metals such as platinum, palladium and silver from their aqueous salts on the surface of gold nanostructures. The resultant surface decoration of gold with secondary metal nanoparticles not only indicates regions on the surface which are rich in active sites but also provides a method to form interesting bimetallic surfaces. PMID:22455038

  14. Nicotinamide Cofactors Suppress Active-Site Labeling of Aldehyde Dehydrogenases.

    PubMed

    Stiti, Naim; Chandrasekar, Balakumaran; Strubl, Laura; Mohammed, Shabaz; Bartels, Dorothea; van der Hoorn, Renier A L

    2016-06-17

    Active site labeling by (re)activity-based probes is a powerful chemical proteomic tool to globally map active sites in native proteomes without using substrates. Active site labeling is usually taken as a readout for the active state of the enzyme because labeling reflects the availability and reactivity of active sites, which are hallmarks for enzyme activities. Here, we show that this relationship holds tightly, but we also reveal an important exception to this rule. Labeling of Arabidopsis ALDH3H1 with a chloroacetamide probe occurs at the catalytic Cys, and labeling is suppressed upon nitrosylation and oxidation, and upon treatment with other Cys modifiers. These experiments display a consistent and strong correlation between active site labeling and enzymatic activity. Surprisingly, however, labeling is suppressed by the cofactor NAD(+), and this property is shared with other members of the ALDH superfamily and also detected for unrelated GAPDH enzymes with an unrelated hydantoin-based probe in crude extracts of plant cell cultures. Suppression requires cofactor binding to its binding pocket. Labeling is also suppressed by ALDH modulators that bind at the substrate entrance tunnel, confirming that labeling occurs through the substrate-binding cavity. Our data indicate that cofactor binding adjusts the catalytic Cys into a conformation that reduces the reactivity toward chloroacetamide probes. PMID:26990764

  15. Activation energy of water structural transitions

    NASA Astrophysics Data System (ADS)

    Kholmanskiy, Alexander

    2015-06-01

    In this work, the nature of molecular motions that dominate in the thermodynamics of anomalies of liquid water properties in the range of 0-100 °C has been studied. Temperature dependencies of water properties have been approximated by exponential functions and the activation energies for water structure transitions have been evaluated. The activation energy values were compared with the energy spectra of characteristic vibrations and with those of cooperative molecular motion in the lattice-type structure of hydrogen bonds. It has been found that it is the reaction of hydrogen bond breaking that mainly limits the abnormal dynamics of water viscosity, self-diffusion, dielectric relaxation time and electric conductivity. It has been assumed that the thermodynamics of cooperative motion and resonance phenomena in water clusters form a basis for the differentiation mechanism of extrema points in temperature dependencies of water density, isobaric heat capacity, sound velocity, surface tension coefficient and compressibility.

  16. ENVIRONMENTAL FACTORS AFFECTING TOLUENE DEGRADATION IN GROUND WATER AT A HAZARDOUS WASTE SITE

    EPA Science Inventory

    The microbial ecology of pristine and contaminated ground water at a chemical waste disposal site was investigated. ecently, it was determined that ground water downslope from the disposal site contained elevated levels of toxic pollutants, including benzene, toluene, xylene and ...

  17. 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.

  18. 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.

  19. Active site - a site of binding of affinity inhibitors in baker's yeast inorganic pyrophosphatase

    SciTech Connect

    Svyato, I.E.; Sklyankina, V.A.; Avaeva, S.M.

    1986-03-20

    The interaction of the enzyme-substrate complex with methyl phosphate, O-phosphoethanolamine, O-phosphopropanolamine, N-acetylphosphoserine, and phosphoglyolic acid, as well as pyrophosphatase, modified by monoesters of phosphoric acid, with pyrophosphate and tripolyphosphate, was investigated. It was shown that the enzyme containing the substrate in the active site does not react with monophosphates, but modified pyrophosphatase entirely retains the ability to bind polyanions to the regulatory site. It is concluded that the inactivation of baker's yeast inorganic pyrophosphatase by monoesters of phosphoric acid, which are affinity inhibitors of it, is the result of modification of the active site of the enzyme.

  20. 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.

  1. Ground-water surveillance at the Hanford Site for CY 1983

    SciTech Connect

    Prater, L.S.; Rieger, J.T.; Cline, C.S.; Jensen, E.J.; Liikala, T.L.; Oster, K.R.

    1984-07-01

    Operations at the Hanford Site have resulted in the discharge of large volumes of process cooling water and other waste waters to the ground. These effluents contain low level of radioactive and chemical substances. During 1983, 328 monitoring wells were sampled at various times for radioactive and chemical constituents. Three of these constituents, specifically tritium, nitrate, and gross beta activity, were selected for detailed discussion in this report because they are more readily transported in the ground water than some of the other constituents. Transport of these constituents in the ground water has resulted in the formation of plumes that can be mapped by contouring the analytical data obtained from the monitoring wells. This report describes recent changes in the configuration of the tritium, nitrate and gross beta plumes. Changes or trends in contaminant levels in wells located within both the main plumes (originating from the 200 Areas) and the smaller plumes are discussed in this report. Two potential pathways for radionuclide transport from the ground water to the environmental are discussed in this report, and the radiological impacts are examined. In addition to describing the present status of the ground water beneath the Hanford Site, this report contains the results of studies conducted in support of the ground-water surveillance effort during CY 1983. 21 references, 26 figures, 5 tables.

  2. 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

  3. A small ribozyme with dual-site kinase activity

    PubMed Central

    Biondi, Elisa; Maxwell, Adam W.R.; Burke, Donald H.

    2012-01-01

    Phosphoryl transfer onto backbone hydroxyls is a recognized catalytic activity of nucleic acids. We find that kinase ribozyme K28 possesses an unusually complex active site that promotes (thio)phosphorylation of two residues widely separated in primary sequence. After allowing the ribozyme to radiolabel itself by phosphoryl transfer from [γ-32P]GTP, DNAzyme-mediated cleavage yielded two radiolabeled cleavage fragments, indicating phosphorylation sites within each of the two cleavage fragments. These sites were mapped by alkaline digestion and primer extension pausing. Enzymatic digestion and mutational analysis identified nucleotides important for activity and established the active structure as being a constrained pseudoknot with unusual connectivity that may juxtapose the two reactive sites. Nuclease sensitivities for nucleotides near the pseudoknot core were altered in the presence of GTPγS, indicating donor-induced folding. The 5′ target site was more strongly favored in full-length ribozyme K28 (128 nt) than in truncated RNAs (58 nt). Electrophoretic mobilities of self-thiophosphorylated products on organomercurial gels are distinct from the 5′ mono-thiophosphorylated product produced by reaction with polynucleotide kinase, potentially indicating simultaneous labeling of both sites within individual RNA strands. Our evidence supports a single, compact structure with local dynamics, rather than global rearrangement, as being responsible for dual-site phosphorylation. PMID:22618879

  4. 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.

  5. 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.

  6. GEO Water Cycle Activities and Plans

    NASA Astrophysics Data System (ADS)

    Lawford, R.; Koike, T.; Ishida, C.; Grabs, W.

    2008-12-01

    The Group on Earth Observations (GEO) consists of more than 70 countries and 40 international organizations which are working together to develop the Global Earth Observation System of Systems (GEOSS). Since its launch in 2004, GEO has stimulated a wide range of activities related to data systems and their architecture, the development of science and technology to support observational programs, user interactions and interfaces, and capacity building. GEO tasks directed at Water Resources Management, one of the nine GEO Societal Benefit areas, are an integral part of these developments. They draw heavily upon the activities of the Integrated Global Water Cycle Observations (IGWCO) theme and on the activities and infrastructure provided through GEO and its committees. Within the GEO framework the water related activities have been focused on four specific tasks namely integrated data set development; information for floods, droughts and water management; water quality, and capacity building. Currently these efforts are being facilitated by the IGWCO theme that was formed under the former Integrated Global Observing Strategy Partnership (IGOS-P). With the dissolution of this partnership, other mechanisms, including the GEO Water Cycle Community of Practice, are being considered as new opportunitites for coordinating the work of the theme and the water-related GEO tasks. This talk provides a description of the GEO water tasks and reviews the progress that has been made in addressing them. It also provides a perspective on new opportunities and briefly describes some of the mechanisms, such as the Water Cycle Community of Practice, that could be expanded to coordinate a more comprehensive set of water tasks and greater community involvement.

  7. Active-site motions and polarity enhance catalytic turnover of hydrated subtilisin dissolved in organic solvents.

    PubMed

    Hudson, Elton P; Eppler, Ross K; Beaudoin, Julianne M; Dordick, Jonathan S; Reimer, Jeffrey A; Clark, Douglas S

    2009-04-01

    The enzyme subtilisin Carlsberg was surfactant-solubilized into two organic solvents, isooctane and tetrahydrofuran, and hydrated through stepwise changes in the thermodynamic water activity, a(w). The apparent turnover number k(cat)(app) in these systems ranged from 0.2 to 80 s(-1) and increased 11-fold in isooctane and up to 50-fold in tetrahydrofuran with increasing a(w). (19)F NMR relaxation experiments employing an active-site inhibitor were used to assess the dependence of active-site motions on a(w). The rates of NMR-derived fast (k > 10(7) s(-1)) and slow (k < 10(4) s(-1)) active-site motions increased in both solvents upon hydration, but only the slow motions correlated with k(cat). The (19)F chemical shift was a sensitive probe of the local electronic environment and provided an empirical measure of the active-site dielectric constant epsilon(as), which increased with hydration to epsilon(as) approximately 13 in each solvent. In both solvents, the transition state free energy data and epsilon(as) followed Kirkwood's model for the continuum solvation of a dipole, indicating that water also enhanced catalysis by altering the active-site's electronic environment and increasing its polarity to better stabilize the transition state. These results reveal that favorable dynamic and electrostatic effects both contribute to accelerated catalysis by solubilized subtilisin Carlsberg upon hydration in organic solvents. PMID:19317505

  8. 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

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

    SciTech Connect

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

    2001-04-18

    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 from the alluvial aquifer at well WW-5c and pumping and discharge from well RNM- 2s

  10. Isolated metal active site concentration and stability control catalytic CO2 reduction selectivity.

    PubMed

    Matsubu, John C; Yang, Vanessa N; Christopher, Phillip

    2015-03-01

    CO2 reduction by H2 on heterogeneous catalysts is an important class of reactions that has been studied for decades. However, atomic scale details of structure-function relationships are still poorly understood. Particularly, it has been suggested that metal particle size plays a unique role in controlling the stability of CO2 hydrogenation catalysts and the distribution of active sites, which dictates reactivity and selectivity. These studies often have not considered the possible role of isolated metal active sites in the observed dependences. Here, we utilize probe molecule diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) with known site-specific extinction coefficients to quantify the fraction of Rh sites residing as atomically dispersed isolated sites (Rhiso), as well as Rh sites on the surface of Rh nanoparticles (RhNP) for a series of TiO2 supported Rh catalysts. Strong correlations were observed between the catalytic reverse water gas shift turn over frequency (TOF) and the fraction of Rhiso sites and between catalytic methanation TOF and the fraction of RhNP sites. Furthermore, it was observed that reaction condition-induced disintegration of Rh nanoparticles, forming Rhiso active sites, controls the changing reactivity with time on stream. This work demonstrates that isolated atoms and nanoparticles of the same metal on the same support can exhibit uniquely different catalytic selectivity in competing parallel reaction pathways and that disintegration of nanoparticles under reaction conditions can play a significant role in controlling stability. PMID:25671686

  11. Dashboard applications to monitor experiment activities at sites

    NASA Astrophysics Data System (ADS)

    Andreeva, Julia; Belforte, Stefano; Boehm, Max; Casajus, Adrian; Flix, Josep; Gaidioz, Benjamin; Grigoras, Costin; Kokoszkiewicz, Lukasz; Lanciotti, Elisa; Rocha, Ricardo; Saiz, Pablo; Santinelli, Roberto; Sidorova, Irina; Sciabà, Andrea; Tsaregorodtsev, Andrei

    2010-04-01

    In the framework of a distributed computing environment, such as WLCG, monitoring has a key role in order to keep under control activities going on in sites located in different countries and involving people based in many different sites. To be able to cope with such a large scale heterogeneous infrastructure, it is necessary to have monitoring tools providing a complete and reliable view of the overall performance of the sites. Moreover, the structure of a monitoring system critically depends on the object to monitor and on the users it is addressed to. In this article we will describe two different monitoring systems both aimed to monitor activities and services provided in the WLCG framework, but designed in order to meet the requirements of different users: Site Status Board has an overall view of the services available in all the sites supporting an experiment, whereas Siteview provides a complete view of all the activities going on at a site, for all the experiments supported by the site.

  12. Architecture and active site of particulate methane monooxygenase

    PubMed Central

    Culpepper, Megen A.; Rosenzweig, Amy C.

    2012-01-01

    Particulate methane monooxygenase (pMMO) is an integral membrane metalloenzyme that oxidizes methane to methanol in methanotrophic bacteria, organisms that live on methane gas as their sole carbon source. Understanding pMMO function has important implications for bioremediation applications and for the development of new, environmentally friendly catalysts for the direct conversion of methane to methanol. Crystal structures of pMMOs from three different methanotrophs reveal a trimeric architecture, consisting of three copies each of the pmoB, pmoA, and pmoC subunits. There are three distinct metal centers in each protomer of the trimer, mononuclear and dinuclear copper sites in the periplasmic regions of pmoB and a mononuclear site within the membrane that can be occupied by copper or zinc. Various models for the pMMO active site have been proposed within these structural constraints, including dicopper, tricopper, and diiron centers. Biochemical and spectroscopic data on pMMO and recombinant soluble fragments, denoted spmoB proteins, indicate that the active site involves copper and is located at the site of the dicopper center in the pmoB subunit. Initial spectroscopic evidence for O2 binding at this site has been obtained. Despite these findings, questions remain about the active site identity and nuclearity and will be the focus of future studies. PMID:22725967

  13. 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)2domains reveal that the (HhH)2domains 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)2domains. 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)2domain. The results show that Topo-V is an unusual protein: it is the only known protein with more than one (HhH)2domain, the only known topoisomerase with dual activities and is also unique by having three AP lyase repair sites in the same polypeptide. PMID:26908655

  14. 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

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

    PubMed Central

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

    2015-01-01

    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. PMID:25999343

  16. 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. PMID:25999343

  17. Decision Support for Active Water Management (Invited)

    NASA Astrophysics Data System (ADS)

    Maidment, D. R.; Salas, F.; Minsker, B. S.

    2013-12-01

    Active water management refers to real-time adjustment of water management decisions based on observation and modeling of current water conditions. A case study is presented of a decision-support system for active water management in the San Antonio and Guadalupe basins using web services and cloud computing to create at the University of Texas a repository of observations, forecasts and model simulations from federal, state and regional water agencies and academia. Each day, National Weather Service river flow forecasts at 47 points in the basin are densified to create corresponding flows in 5500 river reaches using the RAPID river flow model operated in "Model as a Service" mode at the University of Illinois. These flows are adjusted by using the "Declarations of Intent" to pump water compiled by the Texas Commission for Environmental Quality which is the WaterMaster for all surface water withdrawals in the basin. The results are viewed through web maps that convey both maps of the spatial pattern of flow at a particular point in time, and charts of time series of flows at particular points in space.

  18. 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

  19. 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.

  20. 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.

  1. Compilation of surface-water and water-quality data-collection sites on selected streams in Virginia

    USGS Publications Warehouse

    Prugh, Byron, Jr.; Humphrey, C.G.

    1993-01-01

    This report presents a listing of about 8,900 selected surface-water and water-quality data sites in Virginia where hydrologic and water-quality measurements have been made for the past 100 yr. The listing includes the agency station/site identification number and name, drainage area, datum, source agency, type of data collected, period of record for data collection, latitude and longitude, county, and name of the 7.5-minute topographic quadrangle containing the site location

  2. 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.

  3. 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

  4. Molecular Imprint of Enzyme Active Site by Camel Nanobodies

    PubMed Central

    Li, Jiang-Wei; Xia, Lijie; Su, Youhong; Liu, Hongchun; Xia, Xueqing; Lu, Qinxia; Yang, Chunjin; Reheman, Kalbinur

    2012-01-01

    Screening of inhibitory Ab1 antibodies is a critical step for producing catalytic antibodies in the anti-idiotypic approach. However, the incompatible surface of the active site of the enzyme and the antigen-binding site of heterotetrameric conventional antibodies become the limiting step. Because camelid-derived nanobodies possess the potential to preferentially bind to the active site of enzymes due to their small size and long CDR3, we have developed a novel approach to produce antibodies with alliinase activities by exploiting the molecular mimicry of camel nanobodies. By screening the camelid-derived variable region of the heavy chain cDNA phage display library with alliinase, we obtained an inhibitory nanobody VHHA4 that recognizes the active site. Further screening with VHHA4 from the same variable domain of the heavy chain of a heavy-chain antibody library led to a higher incidence of anti-idiotypic Ab2 abzymes with alliinase activities. One of the abzymes, VHHC10, showed the highest activity that can be inhibited by Ab1 VHHA4 and alliinase competitive inhibitor penicillamine and significantly suppressed the B16 tumor cell growth in the presence of alliin in vitro. The results highlight the feasibility of producing abzymes via anti-idiotypic nanobody approach. PMID:22374998

  5. 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.

  6. An active-site peptide from pepsin C

    PubMed Central

    Kay, J.; Ryle, A. P.

    1971-01-01

    Porcine pepsin C is inactivated rapidly and irreversibly by diazoacetyl-dl-norleucine methyl ester in the presence of cupric ions at pH values above 4.5. The inactivation is specific in that complete inactivation accompanies the incorporation of 1mol of inhibitor residue/mol of enzyme and evidence has been obtained to suggest that the reaction occurs with an active site residue. The site of reaction is the β-carboxyl group of an aspartic acid residue in the sequence Ile-Val-Asp-Thr. This sequence is identical with the active-site sequence in pepsin and the significance of this in terms of the different activities of the two enzymes is discussed. PMID:4942834

  7. 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.

  8. 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. PMID:27243042

  9. 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...

  10. Active-site motions and polarity enhance catalytic turnover of hydrated subtilisin dissolved in organic solvents

    PubMed Central

    Hudson, Elton P; Eppler, Ross K; Beaudoin, Julianne M; Dordick, Jonathan S; Reimer, Jeffrey A; Clark, Douglas S

    2009-01-01

    The enzyme subtilisin Carlsberg was surfactant-solubilized into two organic solvents, isooctane and tetrahydrofuran, and hydrated through stepwise changes in the thermodynamic water activity, aw. The apparent turnover number kcatapp in these systems ranged from 0.2 to 80 s−1 and increased 11-fold in isooctane and up to 50-fold in tetrahydrofuran with increasing aw. 19F-NMR relaxation experiments employing an active-site inhibitor were used to assess the dependence of active-site motions on aw. The rates of NMR-derived fast (k > 107 s−1) and slow (k < 104 s−1) active-site motions increased in both solvents upon hydration, but only the slow motions correlated with kcat. The 19F chemical shift was a sensitive probe of the local electronic environment and provided an empirical measure of the active-site dielectric constant εas, which increased with hydration to εas ≈ 13 in each solvent. In both solvents the transition state free energy data and εas followed Kirkwood’s model for the continuum solvation of a dipole, indicating that water also enhanced catalysis by altering the active-site’s electronic environment and increasing its polarity to better stabilize the transition state. These results reveal that favorable dynamic and electrostatic effects both contribute to accelerated catalysis by solubilized subtilisin Carlsberg upon hydration in organic solvents. PMID:19317505

  11. 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.

  12. Rat intestinal trehalase. Studies of the active site.

    PubMed

    Chen, C C; Guo, W J; Isselbacher, K J

    1987-11-01

    Rat intestinal trehalase was solubilized, purified and reconstituted into proteoliposomes. With octyl glucoside as the solubilizing detergent, the purified protein appeared as a single band on SDS/polyacrylamide-gel electrophoresis with an apparent molecular mass of 67 kDa. Kinetic studies indicated that the active site of this enzyme can be functionally divided into two adjacent regions, namely a binding site (with pKa 4.8) and a catalytic site (with pKa 7.2). Other findings suggested that the catalytic site contains a functional thiol group, which is sensitive to inhibition by N-ethylmaleimide, Hg2+ and iodoacetate. Substrate protection and iodoacetate labelling of the thiol group demonstrated that only a protein of 67 kDa was labelled. Furthermore, sucrose and phlorizin protected the thiol group, but Tris-like inhibitors did not. Structure-inhibition analysis of Tris-like inhibitors, the pH effect of Tris inhibition and Tris protection of 1-(3-dimethylaminopropyl)-3-ethylcarbodi-imide inactivation permitted characterization and location of a separate site containing a carboxy group for Tris binding, which may also be the binding region. On the basis of these findings, a possible structure for the active site of trehalase is proposed. PMID:3426558

  13. Active Site and Remote Contributions to Catalysis in Methylthioadenosine Nucleosidases

    PubMed Central

    Thomas, Keisha; Cameron, Scott A.; Almo, Steven C.; Burgos, Emmanuel S.; Gulab, Shivali A.; Schramm, Vern L.

    2015-01-01

    5′-Methylthioadenosine/S-adenosyl-L-homocysteine nucleosidases (MTANs) catalyze the hydrolysis of 5′-methylthioadenosine to adenine and 5-methylthioribose. The amino acid sequences of the MTANs from Vibrio cholerae (VcMTAN) and Escherichia coli (EcMTAN) are 60% identical and 75% similar. Protein structure folds and kinetic properties are similar. However, binding of transition-state analogues is dominated by favorable entropy in VcMTAN and by enthalpy in EcMTAN. Catalytic sites of VcMTAN and EcMTAN in contact with reactants differ by two residues; Ala113 and Val153 in VcMTAN are Pro113 and Ile152, respectively, in EcMTAN. We mutated the VcMTAN catalytic site residues to match those of EcMTAN in anticipation of altering its properties toward EcMTAN. Inhibition of VcMTAN by transition-state analogues required filling both active sites of the homodimer. However, in the Val153Ile mutant or double mutants, transition-state analogue binding at one site caused complete inhibition. Therefore, a single amino acid, Val153, alters the catalytic site cooperativity in VcMTAN. The transition-state analogue affinity and thermodynamics in mutant VcMTAN became even more unlike those of EcMTAN, the opposite of expectations from catalytic site similarity; thus, catalytic site contacts in VcMTAN are unable to recapitulate the properties of EcMTAN. X-ray crystal structures of EcMTAN, VcMTAN, and a multiple-site mutant of VcMTAN most closely resembling EcMTAN in catalytic site contacts show no major protein conformational differences. The overall protein architectures of these closely related proteins are implicated in contributing to the catalytic site differences. PMID:25806409

  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. 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. PMID:26651388

  16. Site-renormalised molecular fluid theory: on the utility of a two-site model of water

    PubMed Central

    Dyer, Kippi M.; Perkyns, John S.; Stell, George; Pettitt, B. Montgomery

    2009-01-01

    We propose a simple, two-site model of water, using the familiar three-site Simple Point Charge (SPC) model as a guide. We briefly examine the resulting dielectric and solvation properties of the bulk fluid, both pure and in a three component mixture of apolar or ionic simple fluid solutes, using integral equation methods. The results confirm a practical utility of this simplified model, and the essential predictive properties of the site-renormalised molecular fluid theory. PMID:19920881

  17. 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.

  18. 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…

  19. 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.

  20. 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…

  1. 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

    2016-09-01

    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

  2. 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.

  3. 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

  4. 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...

  5. Outdoor field evaluation of passive tritiated water vapor samplers at Canadian power reactor sites.

    PubMed

    Wood, M J

    1996-02-01

    Tritium is one of several radioactive nuclides routinely monitored in and around CANDU (CANada Deuterium Uranium) power reactor facilities. Over the last ten years, passive samplers have replaced active sampling devices for sampling tritiated water vapor in the workplace at many CANDU stations. The potential of passive samplers for outdoor monitoring has also been realized. This paper presents the results of a 1-y field trial carried out at all five Canadian CANDU reactor sites. The results indicate that passive samplers can be used at most sampling locations to measure tritiated water vapor in air concentrations as low as 1 Bq m-3 over a 30-d sampling period. Only in one of the five sampling locations was poor agreement observed between active and passive monitoring data. This location, however, was very windy and it is suspected that the gusty winds were the source of the discrepancies observed. PMID:8567295

  6. Expedited characterization of ground water contamination at a large industrial site through field sampling and on-site analysis

    SciTech Connect

    Fusillo, T.V.; Potts, M.J.

    1995-09-01

    Ground water contamination by chlorinated solvents was detected at a former manufacturing facility in central New Jersey. The site, which occupies approximately 30 acres and is located in the Coastal Plain of New Jersey, is underlain by a thin layer of fine sand that extends to approximately 4 to 15 feet below ground surface (bgs) and a dense clay to silty clay that underlies the sand to a depth of at least 30 feet bgs, with ground water at a depth of 4 to 10 feet bgs. To expedite the ground water investigation, ENVIRON utilized a Geoprobe{reg_sign} sampling system together with an onsite mobile laboratory to perform site-wide ground water delineation sampling. Ground water samples were collected from the upper 5 feet of the water table using disposable tubing for on-site analysis of selected volatile organic compounds (VOCs) using a Photovac 10S Plus GC/PID. Sampling and analysis were conducted by On-Site Services of Newark, Delaware. Duplicate samples were also collected from all locations for analysis of VOCs by US EPA method 8240 at a commercial laboratory. Sampling began in the vicinity of the most highly contaminated monitoring well and proceeded in all directions until low or nondetectable concentrations were measured using the on-site GC or until the property boundaries were reached. Over the three-day sampling period, 33 ground water samples were collected. The sampling results provided a detailed picture of ground water quality across the large site, and contaminant distribution patterns confirmed the likely variability in ground water flow directions.

  7. 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.

  8. 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.

  9. 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.

  10. 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. PMID:17539607

  11. 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.

  12. 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.

  13. Effects of resource activities upon repository siting and waste containment with reference to bedded salt

    SciTech Connect

    Ashby, J.; Rowe, J.

    1980-02-01

    The primary consideration for the suitability of a nuclear waste repository site is the overall ability of the repository to safely contain radioactive waste. This report is a discussion of the past, present, and future effects of resource activities on waste containment. Past and present resource activities which provide release pathways (i.e., leaky boreholes, adjacent mines) will receive initial evaluation during the early stages of any repository site study. However, other resource activities which may have subtle effects on containment (e.g., long-term pumping causing increased groundwater gradients, invasion of saline water causing lower retardation) and all potential future resource activities must also be considered during the site evaluation process. Resource activities will affect both the siting and the designing of repositories. Ideally, sites should be located in areas of low resource activity and low potential for future activity, and repository design should seek to eliminate or minimize the adverse effects of any resource activity. Buffer zones should be created to provide areas in which resource activities that might adversely affect containment can be restricted or curtailed. This could mean removing large areas of land from resource development. The impact of these frozen assets should be assessed in terms of their economic value and of their effect upon resource reserves. This step could require a major effort in data acquisition and analysis followed by extensive numerical modeling of regional fluid flow and mass transport. Numerical models should be used to assess the effects of resource activity upon containment and should include the cumulative effects of different resource activities. Analysis by other methods is probably not possible except for relatively simple cases.

  14. 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. PMID:21877154

  15. Analysis of water-quality data and sampling programs at selected sites in north-central Colorado. Water Resources Investigation

    SciTech Connect

    Mueller, D.K.

    1990-01-01

    The report provides an analysis of the water-quality data at selected sites and provides an evaluation of the suitability of the current (1987) sampling programs at each site for meeting future needs of defining water quality within the area affected by CBT Project operations. Specific objectives of the report are to: provide summary statistics of water-quality data at each site for the period of record; identify significant trends for water-quality constituents or properties at each site; determine whether certain stations could be discontinued without substantial loss of information; determine whether the frequency of sampling for any individual constituent or groups of constituents at any of the sites could be decreased without substantial loss of information; and evaluate which water-quality constituents and properties need to be measured in order to meet the water-quality-data needs at each site. Fourteen streamflow and reservoir stations were selected for the analysis. These sites represent a network of water-quality sampling stations that can be used to evaluate the effects of CBT Project water transfers on both sides of the Continental Divide.

  16. 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.

  17. Active site electrostatics protect genome integrity by blocking abortive hydrolysis during DNA recombination

    PubMed Central

    Ma, Chien-Hui; Rowley, Paul A; Macieszak, Anna; Guga, Piotr; Jayaram, Makkuni

    2009-01-01

    Water, acting as a rogue nucleophile, can disrupt transesterification steps of important phosphoryl transfer reactions in DNA and RNA. We have unveiled this risk, and identified safeguards instituted against it, during strand cleavage and joining by the tyrosine site-specific recombinase Flp. Strand joining is threatened by a latent Flp endonuclease activity (type I) towards the 3′-phosphotyrosyl intermediate resulting from strand cleavage. This risk is not alleviated by phosphate electrostatics; neutralizing the negative charge on the scissile phosphate through methylphosphonate (MeP) substitution does not stimulate type I endonuclease. Rather, protection derives from the architecture of the recombination synapse and conformational dynamics within it. Strand cleavage is protected against water by active site electrostatics. Replacement of the catalytic Arg-308 of Flp by alanine, along with MeP substitution, elicits a second Flp endonuclease activity (type II) that directly targets the scissile phosphodiester bond in DNA. MeP substitution, combined with appropriate active site mutations, will be useful in revealing anti-hydrolytic mechanisms engendered by systems that mediate DNA relaxation, DNA transposition, site-specific recombination, telomere resolution, RNA splicing and retrohoming of mobile introns. PMID:19440204

  18. 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.

  19. Active-Site-Accessible, Porphyrinic Metal;#8722;Organic Framework Materials

    SciTech Connect

    Farha, Omar K.; Shultz, Abraham M.; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.

    2012-02-06

    On account of their structural similarity to cofactors found in many metallo-enzymes, metalloporphyrins are obvious potential building blocks for catalytically active, metal-organic framework (MOF) materials. While numerous porphyrin-based MOFs have already been described, versions featuring highly accessible active sites and permanent microporosity are remarkably scarce. Indeed, of the more than 70 previously reported porphyrinic MOFs, only one has been shown to be both permanently microporous and contain internally accessible active sites for chemical catalysis. Attempts to generalize the design approach used in this single successful case have failed. Reported here, however, is the synthesis of an extended family of MOFs that directly incorporate a variety of metalloporphyrins (specifically Al{sup 3+}, Zn{sup 2+}, Pd{sup 2+}, Mn{sup 3+}, and Fe{sup 3+} complexes). These robust porphyrinic materials (RPMs) feature large channels and readily accessible active sites. As an illustrative example, one of the manganese-containing RPMs is shown to be catalytically competent for the oxidation of alkenes and alkanes.

  20. Quantifying Fast and Slow Responses of Terrestrial Carbon Exchange across a Water Availability Gradient in North American Flux Sites

    NASA Astrophysics Data System (ADS)

    Biederman, J. A.; Scott, R. L.; Goulden, M.

    2014-12-01

    Climate change is predicted to increase the frequency and severity of water limitation, altering terrestrial ecosystems and their carbon exchange with the atmosphere. Here we compare site-level temporal sensitivity of annual carbon fluxes to interannual variations in water availability against cross-site spatial patterns over a network of 19 eddy covariance flux sites. This network represents one order of magnitude in mean annual productivity and includes western North American desert shrublands and grasslands, savannahs, woodlands, and forests with continuous records of 4 to 12 years. Our analysis reveals site-specific patterns not identifiable in prior syntheses that pooled sites. We interpret temporal variability as an indicator of ecosystem response to annual water availability due to fast-changing factors such as leaf stomatal response and microbial activity, while cross-site spatial patterns are used to infer ecosystem adjustment to climatic water availability through slow-changing factors such as plant community and organic carbon pools. Using variance decomposition, we directly quantify how terrestrial carbon balance depends on slow- and fast-changing components of gross ecosystem production (GEP) and total ecosystem respiration (TER). Slow factors explain the majority of variance in annual net ecosystem production (NEP) across the dataset, and their relative importance is greater at wetter, forest sites than desert ecosystems. Site-specific offsets from spatial patterns of GEP and TER explain one third of NEP variance, likely due to slow-changing factors not directly linked to water, such as disturbance. TER and GEP are correlated across sites as previously shown, but our site-level analysis reveals surprisingly consistent linear relationships between these fluxes in deserts and savannahs, indicating fast coupling of TER and GEP in more arid ecosystems. Based on the uncertainty associated with slow and fast factors, we suggest a framework for improved

  1. 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.

  2. 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

  3. 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

  4. Calculation of water activation for the LHC

    NASA Astrophysics Data System (ADS)

    Vollaire, Joachim; Brugger, Markus; Forkel-Wirth, Doris; Roesler, Stefan; Vojtyla, Pavol

    2006-06-01

    The management of activated water in the Large Hadron Collider (LHC) at CERN is a key concern for radiation protection. For this reason, the induced radioactivity of the different water circuits is calculated using the Monte-Carlo (MC) code FLUKA. The results lead to the definition of procedures to be taken into account during the repair and maintenance of the machine, as well as to measures being necessary for a release of water into the environment. In order to assess the validity of the applied methods, a benchmark experiment was carried out at the CERN-EU High Energy Reference Field (CERF) facility, where a hadron beam (120 GeV) is impinging on a copper target. Four samples of water, as used at the LHC, and different in their chemical compositions, were irradiated near the copper target. In addition to the tritium activity measured with a liquid scintillation counter, the samples were also analyzed using gamma spectroscopy in order to determine the activity of the gamma emitting isotopes such as Be7 and Na24. While for the latter an excellent agreement between simulation and measurement was found, for the calculation of tritium a correction factor is derived to be applied for future LHC calculations in which the activity is calculated by direct scoring of produced nuclei. A simplified geometry representing the LHC Arc sections is then used to evaluate the different calculation methods with FLUKA. By comparing these methods and by taking into account the benchmark results, a strategy for the environmental calculations can be defined.

  5. 77 FR 9969 - Clow Water Systems Company Including On-Site Leased Workers From Carol Harris Stafffing Including...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-21

    ... on December 29, 2011(76 FR 81988). At the request of the State agency, the Department reviewed the... Employment and Training Administration Clow Water Systems Company Including On-Site Leased Workers From Carol... leased workers from Carol Harris Staffing, Coshocton, Ohio. The workers are engaged in activities...

  6. 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.

  7. Acylpeptide hydrolase: inhibitors and some active site residues of the human enzyme.

    PubMed

    Scaloni, A; Jones, W M; Barra, D; Pospischil, M; Sassa, S; Popowicz, A; Manning, L R; Schneewind, O; Manning, J M

    1992-02-25

    Acylpeptide hydrolase may be involved in N-terminal deacetylation of nascent polypeptide chains and of bioactive peptides. The activity of this enzyme from human erythrocytes is sensitive to anions such as chloride, nitrate, and fluoride. Furthermore, blocked amino acids act as competitive inhibitors of the enzyme. Acetyl leucine chloromethyl ketone has been employed to identify one active site residue as His-707. Diisopropylfluorophosphate has been used to identify a second active site residue as Ser-587. Chemical modification studies with a water-soluble carbodiimide implicate a carboxyl group in catalytic activity. These results and the sequence around these active site residues, especially near Ser-587, suggest that acylpeptide hydrolase contains a catalytic triad. The presence of a cysteine residue in the vicinity of the active site is suggested by the inactivation of the enzyme by sulfhydryl-modifying agents and also by a low amount of modification by the peptide chloromethyl ketone inhibitor. Ebelactone A, an inhibitor of the formyl aminopeptidase, the bacterial counterpart of eukaryotic acylpeptide hydrolase, was found to be an effective inhibitor of this enzyme. These findings suggest that acylpeptidase hydrolase is a member of a family of enzymes with extremely diverse functions. PMID:1740429

  8. Active Sites Environmental Monitoring Program. FY 1993: Annual report

    SciTech Connect

    Morrissey, C.M.; Ashwood, T.L.; Hicks, D.S.; Marsh, J.D.

    1994-08-01

    This report continues a series of annual and semiannual reports that present the results of the Active Sites Environmental Monitoring Program (ASEMP) monitoring activities. The report details monitoring data for fiscal year (FY) 1993 and is divided into three major areas: SWSA 6 [including tumulus pads, Interim Waste Management Facility (IWMF), and other sites], the low-level Liquid-Waste Solidification Project (LWSP), and TRU-waste storage facilities in SWSA 5 N. The detailed monitoring methodology is described in the second revision of the ASEMP program plan. This report also presents a summary of the methodology used to gather data for each major area along with the results obtained during FY 1993.

  9. 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.

  10. 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.

  11. 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

  12. Potential sites of CFTR activation by tyrosine kinases.

    PubMed

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

    2016-05-01

    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

  13. 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.

  14. Raman lidar profiling of water vapor and aerosols over the ARM SGP Site

    SciTech Connect

    Ferrare, R.A.

    2000-01-09

    The authors have developed and implemented automated algorithms to retrieve profiles of water vapor mixing ratio, aerosol backscattering, and aerosol extinction from Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) Raman Lidar data acquired during both daytime and nighttime operations. The Raman lidar sytem is unique in that it is turnkey, automated system designed for unattended, around-the-clock profiling of water vapor and aerosols. These Raman lidar profiles are important for determining the clear-sky radiative flux, as well as for validating the retrieval algorithms associated with satellite sensors. Accurate, high spatial and temporal resolution profiles of water vapor are also required for assimilation into mesoscale models to improve weather forecasts. The authors have also developed and implemented routines to simultaneously retrieve profiles of relative humidity. These routines utilize the water vapor mixing ratio profiles derived from the Raman lidar measurements together with temperature profiles derived from a physical retrieval algorithm that uses data from a collocated Atmospheric Emitted Radiance Interferometer (AERI) and the Geostationary Operational Environmental Satellite (GOES). These aerosol and water vapor profiles (Raman lidar) and temperature profiles (AERI+GOES) have been combined into a single product that takes advantage of both active and passive remote sensors to characterize the clear sky atmospheric state above the CART site.

  15. RAMAN LIDAR PROFILING OF WATER VAPOR AND AEROSOLS OVER THE ARM SGP SITE.

    SciTech Connect

    FERRARE,R.A.

    2000-01-09

    We have developed and implemented automated algorithms to retrieve profiles of water vapor mixing ratio, aerosol backscattering, and aerosol extinction from Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) Raman Lidar data acquired during both daytime and nighttime operations. This Raman lidar system is unique in that it is turnkey, automated system designed for unattended, around-the-clock profiling of water vapor and aerosols (Goldsmith et al., 1998). These Raman lidar profiles are important for determining the clear-sky radiative flux, as well as for validating the retrieval algorithms associated with satellite sensors. Accurate, high spatial and temporal resolution profiles of water vapor are also required for assimilation into mesoscale models to improve weather forecasts. We have also developed and implemented routines to simultaneously retrieve profiles of relative humidity. These routines utilize the water vapor mixing ratio profiles derived from the Raman lidar measurements together with temperature profiles derived from a physical retrieval algorithm that uses data from a collocated Atmospheric Emitted Radiance Interferometer (AERI) and the Geostationary Operational Environmental Satellite (GOES) (Feltz et al., 1998; Turner et al., 1999). These aerosol and water vapor profiles (Raman lidar) and temperature profiles (AERI+GOES) have been combined into a single product that takes advantage of both active and passive remote sensors to characterize the clear sky atmospheric state above the CART site.

  16. 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. PMID:23557723

  17. 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.

  18. [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. PMID:11449536

  19. Hydrogeology and Physical Characteristics of Water Samples at the Red River Aluminum Site, Stamps, Arkansas

    NASA Astrophysics Data System (ADS)

    Czarnecki, J. B.; Stanton, G. P.; Freiwald, D. A.

    2001-12-01

    The Red River Aluminum site near Stamps, Arkansas, contains waste piles of salt cake and metal byproducts from the smelting of aluminum. The waste piles are subjected to about 50 inches of rainfall a year, resulting in the dissolution of the salts and metal. To assess the potential threat to underlying ground-water resources at the site, its hydrogeology was characterized by measuring water levels and field parameters of water quality in 23 wells and at 2 surface-water sites. Seventeen of these monitor wells were constructed at various depths for this study to allow for the separate characterization of the shallow and deep ground-water systems, the calculation of vertical gradients, and the collection of water samples at different depths within the flow system. Lithologic descriptions from drill-hole cuttings and geophysical logs indicate the presence of interbedded sands, gravels, silts, and clays to depths of 65 feet. The regionally important Sparta aquifer underlies the site. Water levels in shallow wells indicate radial flow away from the salt-cake pile located near the center of the site. Flow in the deep system is to the west and southwest toward Bodcau Creek. Water-level data from eight piezometer nests indicate a downward hydraulic gradient from the shallow to deep systems across the site. Values of specific conductance (an indicator of dissolved salts) ranged from 215 to 196,200 microsiemens per centimeter and indicate that saline waters are being transported horizontally and vertically downward away from the site.

  20. Activities in water supply and sanitation.

    PubMed

    1997-01-01

    The Economic and Social Council for Asia and the Pacific (ESCAP) held a regional workshop in Thailand in 1992 to demonstrate how women's involvement at all levels of environmentally sound and sustainable water supply and sanitation programs and projects could be made more effective, easier, and productive. Using the same modules, with the support of other organizations such as the Department of Development Support and Management Services, ESCAP conducted four more workshops in the Philippines, Lao People's Democratic Republic (PDR), Vietnam, and Thailand in 1995. In the Philippines, the National Commission on the Role of Filipino Women expressed its intention to adapt the modules for the country. In the Lao PDR, three project ideas were proposed which would assist the Lao Women Union in gaining knowledge on the planning, implementation, operation, and management of water supply and sanitation projects at the national, regional and project levels. In Vietnam, three main directions for action were identified for the promotion of close and active cooperation between the Rural Water Supply and Environmental Sanitation Centres and the system of the Women Union of Vietnam. In Thailand, the National Committee on Health and Environment of the National Commission on Women's Affairs expressed its willingness to seek budgetary allocation for the promotion of women's role in water supply and sanitation. PMID:12157800

  1. 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.

  2. 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.

  3. Economies of density for on-site waste water treatment.

    PubMed

    Eggimann, Sven; Truffer, Bernhard; Maurer, Max

    2016-09-15

    Decentralised wastewater treatment is increasingly gaining interest as a means of responding to sustainability challenges. Cost comparisons are a crucial element of any sustainability assessment. While the cost characteristics of centralised waste water management systems (WMS) have been studied extensively, the economics of decentralised WMS are less understood. A key motivation for studying the costs of decentralised WMS is to compare the cost of centralised and decentralised WMS in order to decide on cost-efficient sanitation solutions. This paper outlines a model designed to assess those costs which depend on the spatial density of decentralised wastewater treatment plants in a region. Density-related costs are mostly linked to operation and maintenance activities which depend on transportation, like sludge removal or the visits of professionals to the plants for control, servicing or repairs. We first specify a modelled cost-density relationship for a region in a geometric two-dimensional space by means of heuristic routing algorithms that consider time and load-capacity restrictions. The generic model is then applied to a Swiss case study for which we specify a broad range of modelling parameters. As a result, we identify a 'hockey-stick'-shaped cost curve that is characterised by strong cost reductions at high density values which level out at around 1 to 1.5 plants per km(2). Variations in the cost curves are mostly due to differences in management approaches (scheduled or unscheduled emptying). In addition to the well-known diseconomies of scale in the case of centralised sanitation, we find a similar generic cost behaviour for decentralised sanitation due to economies of density. Low densities in sparsely populated regions thus result in higher costs for both centralised and decentralised system. Policy implications are that efforts to introduce decentralised options in a region should consider the low-density/high-cost problem when comparing centralised

  4. 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.

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

    USGS Publications Warehouse

    Panageotou, W.

    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.

  7. Influence of cysteine 164 on active site structure in rat cysteine dioxygenase.

    PubMed

    Fellner, Matthias; Siakkou, Eleni; Faponle, Abayomi S; Tchesnokov, Egor P; de Visser, Sam P; Wilbanks, Sigurd M; Jameson, Guy N L

    2016-07-01

    Cysteine dioxygenase is a non-heme mononuclear iron enzyme with unique structural features, namely an intramolecular thioether cross-link between cysteine 93 and tyrosine 157, and a disulfide bond between substrate L-cysteine and cysteine 164 in the entrance channel to the active site. We investigated how these posttranslational modifications affect catalysis through a kinetic, crystallographic and computational study. The enzyme kinetics of a C164S variant are identical to WT, indicating that disulfide formation at C164 does not significantly impair access to the active site at physiological pH. However, at high pH, the cysteine-tyrosine cross-link formation is enhanced in C164S. This supports the view that disulfide formation at position 164 can limit access to the active site. The C164S variant yielded crystal structures of unusual clarity in both resting state and with cysteine bound. Both show that the iron in the cysteine-bound complex is a mixture of penta- and hexa-coordinate with a water molecule taking up the final site (60 % occupancy), which is where dioxygen is believed to coordinate during turnover. The serine also displays stronger hydrogen bond interactions to a water bound to the amine of the substrate cysteine. However, the interactions between cysteine and iron appear unchanged. DFT calculations support this and show that WT and C164S have similar binding energies for the water molecule in the final site. This variant therefore provides evidence that WT also exists in an equilibrium between penta- and hexa-coordinate forms and the presence of the sixth ligand does not strongly affect dioxygen binding. PMID:27193596

  8. 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.

  9. 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.

  10. Site-specific sprinkler irrigation in a water limited future

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Available water supplies for irrigation are becoming more and more limited in the western USA and other locations around the world, and this trend is accelerating. This will force major changes to physical and managerial aspects as well as design of water delivery and on-farm irrigation systems. Th...

  11. Site-Specific Sprinkler Irrigation in a Water Limited Future

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Available water supplies for irrigation are becoming more and more limited in the western USA and other locations around the world, and this trend is accelerating. This will force major changes to physical and managerial aspects as well as design of water delivery and on-farm irrigation systems. Th...

  12. 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.

  13. Molecular dioxygen enters the active site of 12/15-lipoxygenase via dynamic oxygen access channels.

    PubMed

    Saam, Jan; Ivanov, Igor; Walther, Matthias; Holzhütter, Hermann-Georg; Kuhn, Hartmut

    2007-08-14

    Cells contain numerous enzymes that use molecular oxygen for their reactions. Often, their active sites are buried deeply inside the protein, which raises the question whether there are specific access channels guiding oxygen to the site of catalysis. Choosing 12/15-lipoxygenase as a typical example for such oxygen-dependent enzymes, we determined the oxygen distribution within the protein and defined potential routes for oxygen access. For this purpose, we have applied an integrated strategy of structural modeling, molecular dynamics simulations, site-directed mutagenesis, and kinetic measurements. First, we computed the 3D free-energy distribution for oxygen, which led to identification of four oxygen channels in the protein. All channels connect the protein surface with a region of high oxygen affinity at the active site. This region is localized opposite to the nonheme iron providing a structural explanation for the reaction specificity of this lipoxygenase isoform. The catalytically most relevant path can be obstructed by L367F exchange, which leads to a strongly increased Michaelis constant for oxygen. The blocking mechanism is explained in detail by reordering the hydrogen-bonding network of water molecules. Our results provide strong evidence that the main route for oxygen access to the active site of the enzyme follows a channel formed by transiently interconnected cavities whereby the opening and closure are governed by side chain dynamics. PMID:17675410

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Spectroscopic Studies of Single and Double Variants of M Ferritin: Lack of Conversion of a Biferrous Substrate Site into a Cofactor Site for O2 Activation

    PubMed Central

    2015-01-01

    Ferritin has a binuclear non-heme iron active site that functions to oxidize iron as a substrate for formation of an iron mineral core. Other enzymes of this class have tightly bound diiron cofactor sites that activate O2 to react with substrate. Ferritin has an active site ligand set with 1-His/4-carboxylate/1-Gln rather than the 2-His/4-carboxylate set of the cofactor site. This ligand variation has been thought to make a major contribution to this biferrous substrate rather than cofactor site reactivity. However, the Q137E/D140H double variant of M ferritin, has a ligand set that is equivalent to most of the diiron cofactor sites, yet did not rapidly react with O2 or generate the peroxy intermediate observed in the cofactor sites. Therefore, in this study, a combined spectroscopic methodology of circular dichroism (CD)/magnetic CD (MCD)/variable temperature, variable field (VTVH) MCD has been applied to evaluate the factors required for the rapid O2 activation observed in cofactor sites. This methodology defines the coordination environment of each iron and the bridging ligation of the biferrous active sites in the double and corresponding single variants of frog M ferritin. Based on spectral changes, the D140H single variant has the new His ligand binding, and the Q137E variant has the new carboxylate forming a μ-1,3 bridge. The spectra for the Q137E/D140H double variant, which has the cofactor ligand set, however, reflects a site that is more coordinately saturated than the cofactor sites in other enzymes including ribonucleotide reductase, indicating the presence of additional water ligation. Correlation of this double variant and the cofactor sites to their O2 reactivities indicates that electrostatic and steric changes in the active site and, in particular, the hydrophobic nature of a cofactor site associated with its second sphere protein environment, make important contributions to the activation of O2 by the binuclear non-heme iron enzymes. PMID

  20. 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...

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

    USGS Publications Warehouse

    Byrne, Michael J., Sr.; 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.

  2. 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...

  3. 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

  4. 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.

  5. Differential behavior of the sub-sites of cytochrome 450 active site in binding of substrates, and products (implications for coupling/uncoupling).

    PubMed

    Narasimhulu, Shakunthala

    2007-03-01

    The cytochrome P450 catalyzes hydroxylation of many substrates in the presence of O(2) and specific electron transport system. The ternary complex S-Fe(+)O(2) with substrate and O(2) bound to their respective sites on the reduced enzyme is an important intermediate in the formation of the hydroxylating species. Then the active site may be considered as having two sub-sites geared for entirely different types of functionally relevant interactions. The two sites are the substrate binding site, the specific protein residues (Site I), and the L(6) position of the iron (Site II) to which O(2) binds upon reduction. In the ferric enzyme, when substrate binds to Site I, the low spin six-coordinated P450 is converted to the readily reducible high spin five coordinated state. Certain amines and OH compounds, such as products of P450-catalyzed reactions, can bind to Site II resulting in six coordinated inhibited complexes. Then the substrate and product interactions with the two sub-sites can regulate the functional state of the enzyme during catalysis. Product interactions have received very little attention. CYP101 is the only P450 in which X-ray and spectroscopic data on all three structures, the substrate-free, camphor-bound and the 5-exo-OHcamphor-bound are available. The substrate-free CYP101 is low spin and six-coordinated with a water molecule ligated at the L(6) position of the iron. The substrate camphor binds to Site I, and releases the L(6) water despite its inability to bind to this site, indicating that Site I binding can inhibit Site II ligation. The product 5-exo-OHcamphor in addition to binding to Site I, binds to Site II through its -OH group forming Fe-O bond, resulting in the low spin six-coordinated complex. New temperature-jump relaxation kinetic data indicating that Site II ligation inhibits Site I binding are presented. It appears that the Site I and Site II function as interacting sub-sites. The inhibitory allosteric interactions between the two sub-sites

  6. 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

  7. 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)

  8. 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.

  9. The copper active site of CBM33 polysaccharide oxygenases.

    PubMed

    Hemsworth, Glyn R; Taylor, Edward J; Kim, Robbert Q; Gregory, Rebecca C; Lewis, Sally J; Turkenburg, Johan P; Parkin, Alison; Davies, Gideon J; Walton, Paul H

    2013-04-24

    The capacity of metal-dependent fungal and bacterial polysaccharide oxygenases, termed GH61 and CBM33, respectively, to potentiate the enzymatic degradation of cellulose opens new possibilities for the conversion of recalcitrant biomass to biofuels. GH61s have already been shown to be unique metalloenzymes containing an active site with a mononuclear copper ion coordinated by two histidines, one of which is an unusual τ-N-methylated N-terminal histidine. We now report the structural and spectroscopic characterization of the corresponding copper CBM33 enzymes. CBM33 binds copper with high affinity at a mononuclear site, significantly stabilizing the enzyme. X-band EPR spectroscopy of Cu(II)-CBM33 shows a mononuclear type 2 copper site with the copper ion in a distorted axial coordination sphere, into which azide will coordinate as evidenced by the concomitant formation of a new absorption band in the UV/vis spectrum at 390 nm. The enzyme's three-dimensional structure contains copper, which has been photoreduced to Cu(I) by the incident X-rays, confirmed by X-ray absorption/fluorescence studies of both aqueous solution and intact crystals of Cu-CBM33. The single copper(I) ion is ligated in a T-shaped configuration by three nitrogen atoms from two histidine side chains and the amino terminus, similar to the endogenous copper coordination geometry found in fungal GH61. PMID:23540833

  10. The Copper Active Site of CBM33 Polysaccharide Oxygenases

    PubMed Central

    2013-01-01

    The capacity of metal-dependent fungal and bacterial polysaccharide oxygenases, termed GH61 and CBM33, respectively, to potentiate the enzymatic degradation of cellulose opens new possibilities for the conversion of recalcitrant biomass to biofuels. GH61s have already been shown to be unique metalloenzymes containing an active site with a mononuclear copper ion coordinated by two histidines, one of which is an unusual τ-N-methylated N-terminal histidine. We now report the structural and spectroscopic characterization of the corresponding copper CBM33 enzymes. CBM33 binds copper with high affinity at a mononuclear site, significantly stabilizing the enzyme. X-band EPR spectroscopy of Cu(II)-CBM33 shows a mononuclear type 2 copper site with the copper ion in a distorted axial coordination sphere, into which azide will coordinate as evidenced by the concomitant formation of a new absorption band in the UV/vis spectrum at 390 nm. The enzyme’s three-dimensional structure contains copper, which has been photoreduced to Cu(I) by the incident X-rays, confirmed by X-ray absorption/fluorescence studies of both aqueous solution and intact crystals of Cu-CBM33. The single copper(I) ion is ligated in a T-shaped configuration by three nitrogen atoms from two histidine side chains and the amino terminus, similar to the endogenous copper coordination geometry found in fungal GH61. PMID:23540833

  11. 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…

  12. 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

  13. 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.

  14. Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox

    PubMed Central

    Elias, Mikael; Chabriere, Eric

    2013-01-01

    Enzymes are proficient catalysts that enable fast rates of Michaelis-complex formation, the chemical step and products release. These different steps may require different conformational states of the active site that have distinct binding properties. Moreover, the conformational flexibility of the active site mediates alternative, promiscuous functions. Here we focused on the lactonase SsoPox from Sulfolobus solfataricus. SsoPox is a native lactonase endowed with promiscuous phosphotriesterase activity. We identified a position in the active site loop (W263) that governs its flexibility, and thereby affects the substrate specificity of the enzyme. We isolated two different sets of substitutions at position 263 that induce two distinct conformational sampling of the active loop and characterized the structural and kinetic effects of these substitutions. These sets of mutations selectively and distinctly mediate the improvement of the promiscuous phosphotriesterase and oxo-lactonase activities of SsoPox by increasing active-site loop flexibility. These observations corroborate the idea that conformational diversity governs enzymatic promiscuity and is a key feature of protein evolvability. PMID:24086491

  15. 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.

  16. 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. PMID:25794108

  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. Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.

    PubMed

    Youngblut, Matthew D; Tsai, Chi-Lin; Clark, Iain C; Carlson, Hans K; Maglaqui, Adrian P; Gau-Pan, Phonchien S; Redford, Steven A; Wong, Alan; Tainer, John A; Coates, John D

    2016-04-22

    Perchlorate is an important ion on both Earth and Mars. Perchlorate reductase (PcrAB), a specialized member of the dimethylsulfoxide reductase superfamily, catalyzes the first step of microbial perchlorate respiration, but little is known about the biochemistry, specificity, structure, and mechanism of PcrAB. Here we characterize the biophysics and phylogeny of this enzyme and report the 1.86-Å resolution PcrAB complex crystal structure. Biochemical analysis revealed a relatively high perchlorate affinity (Km = 6 μm) and a characteristic substrate inhibition compared with the highly similar respiratory nitrate reductase NarGHI, which has a relatively much lower affinity for perchlorate (Km = 1.1 mm) and no substrate inhibition. Structural analysis of oxidized and reduced PcrAB with and without the substrate analog SeO3 (2-) bound to the active site identified key residues in the positively charged and funnel-shaped substrate access tunnel that gated substrate entrance and product release while trapping transiently produced chlorate. The structures suggest gating was associated with shifts of a Phe residue between open and closed conformations plus an Asp residue carboxylate shift between monodentate and bidentate coordination to the active site molybdenum atom. Taken together, structural and mutational analyses of gate residues suggest key roles of these gate residues for substrate entrance and product release. Our combined results provide the first detailed structural insight into the mechanism of biological perchlorate reduction, a critical component of the chlorine redox cycle on Earth. PMID:26940877

  19. Eel calcitonin binding site distribution and antinociceptive activity in rats

    SciTech Connect

    Guidobono, F.; Netti, C.; Sibilia, V.; Villa, I.; Zamboni, A.; Pecile, A.

    1986-03-01

    The distribution of binding site for (/sup 125/I)-eel-calcitonin (ECT) to rat central nervous system, studied by an autoradiographic technique, showed concentrations of binding in the diencephalon, the brain stem and the spinal cord. Large accumulations of grains were seen in the hypothalamus, the amygdala, in the fasciculus medialis prosencephali, in the fasciculus longitudinalis medialis, in the ventrolateral part of the periventricular gray matter, in the lemniscus medialis and in the raphe nuclei. The density of grains in the reticular formation and in the nucleus tractus spinalis nervi trigemini was more moderate. In the spinal cord, grains were scattered throughout the dorsal horns. Binding of the ligand was displaced equally by cold ECT and by salmon CT(sCT), indicating that both peptides bind to the same receptors. Human CT was much weaker than sCT in displacing (/sup 125/I)-ECT binding. The administration of ECT into the brain ventricles of rats dose-dependently induced a significant and long-lasting enhancement of hot-plate latencies comparable with that obtained with sCT. The antinociceptive activity induced by ECT is compatible with the topographical distribution of binding sites for the peptide and is a further indication that fish CTs are active in the mammalian brain.

  20. 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.

  1. Effect of Active-site Mutation at Asn67 on the Proton Transfer Mechanism of Human Carbonic Anhydrase II

    PubMed Central

    Maupin, C. Mark; Zheng, Jiayin; Tu, Chingkuang; McKenna, Robert; Silverman, David N.; Voth, Gregory A.

    2009-01-01

    The rate-limiting proton transfer (PT) event in the site-specific mutant N67L of human carbonic anhydrase II (HCA II) has been examined by kinetic, x-ray, and simulation approaches. The x-ray crystallography, which were previously reported, and molecular dynamics (MD) simulations indicate that the proton shuttling residue, His64, predominantly resides in the outward orientation with a significant disruption of the ordered water in the active site for the dehydration pathway. While disorder is seen in the active-site water, water cluster analysis indicates that the N67L mutant may form water clusters similar to those seen in the wild-type (WT). For the hydration pathway of the enzyme, the active site water cluster analysis reveals an inability of the N67L mutant to stabilize water clusters when His64 is in the inward orientation, thereby favoring PT when His64 is in the outward orientation. The preference of the N67L mutant to carry out the PT when His64 is in the outward orientation for both the hydration and dehydration pathway is reasoned to be the main cause of the observed reduction in the overall rate. To probe the mechanism of PT, solvent H/D kinetic isotope effects (KIEs) were experimentally studied with catalysis measured by the exchange of 18O between CO2 and water. The values obtained from the KIEs were determined as a function of the deuterium content of solvent, using the proton inventory method. No differences were detected in the overarching mechanism of PT between WT and N67L HCA II, despite changes in the active-site water structure and/or the orientation of His64. PMID:19634894

  2. Evolution of a designed retro-aldolase leads to complete active site remodeling

    PubMed Central

    Giger, Lars; Caner, Sami; Obexer, Richard; Kast, Peter; Baker, David; Ban, Nenad; Hilvert, Donald

    2013-01-01

    Evolutionary advances are often fueled by unanticipated innovation. Directed evolution of a computationally designed enzyme suggests that dramatic molecular changes can also drive the optimization of primitive protein active sites. The specific activity of an artificial retro-aldolase was boosted >4,400 fold by random mutagenesis and screening, affording catalytic efficiencies approaching those of natural enzymes. However, structural and mechanistic studies reveal that the engineered catalytic apparatus, consisting of a reactive lysine and an ordered water molecule, was unexpectedly abandoned in favor of a new lysine residue in a substrate binding pocket created during the optimization process. Structures of the initial in silico design, a mechanistically promiscuous intermediate, and one of the most evolved variants highlight the importance of loop mobility and supporting functional groups in the emergence of the new catalytic center. Such internal competition between alternative reactive sites may have characterized the early evolution of many natural enzymes. PMID:23748672

  3. 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.

  4. 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.

  5. Estimates of cloud water deposition at Mountain Acid Deposition Program sites in the Appalachian Mountains.

    PubMed

    Baumgardner, Ralph E; Isil, Selma S; Lavery, Thomas F; Rogers, Christopher M; Mohnen, Volker A

    2003-03-01

    Cloud water deposition was estimated at three high-elevation sites in the Appalachian Mountains of the eastern United States (Whiteface Mountain, NY; Whitetop Mountain, VA; and Clingman's Dome, TN) from 1994 through 1999 as part of the Mountain Acid Deposition Program (MADPro). This paper provides a summary of cloud water chemistry, cloud liquid water content, cloud frequency, estimates of cloud water deposition of sulfur and nitrogen species, and estimates of total deposition of sulfur and nitrogen at these sites. Other cloud studies in the Appalachians and their comparison to MADPro are also summarized. Whiteface Mountain exhibited the lowest mean and median concentrations of sulfur and nitrogen ions in cloud water, while Clingman's Dome exhibited the highest mean and median concentrations. This geographic gradient is partly an effect of the different meteorological conditions experienced at northern versus southern sites in addition to the difference in pollution content of air masses reaching the sites. All sites measured seasonal cloud water deposition rates of SO4(2-) greater than 50 kg/ha and NO3(-) rates of greater than 25 kg/ha. These high-elevation sites experienced additional deposition loading of SO4(2-) and NO3(-) on the order of 6-20 times greater compared with lower elevation Clean Air Status and Trends Network (CASTNet) sites. Approximately 80-90% of this extra loading is from cloud deposition. PMID:12661689

  6. 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

  7. Surface Water Quality Monitoring Site Optimization for Poyang Lake, the Largest Freshwater Lake in China

    PubMed Central

    Wang, Hua; Wu, Mengan; Deng, Yanqing; Tang, Chunyan; Yang, Rui

    2014-01-01

    In this paper, we propose a coupled method to optimize the surface water quality monitoring sites for a huge freshwater lake based on field investigations, mathematical analysis, and numerical simulation tests. Poyang Lake, the largest freshwater lake in China, was selected as the research area. Based on the field investigated water quality data in the 5 years from 2008 to 2012, the water quality inter-annual variation coefficients at all the present sites and the water quality correlation coefficients between adjacent sites were calculated and analyzed to present an optimization scheme. A 2-D unsteady water quality model was established to get the corresponding water quality data at the optimized monitoring sites, which were needed for the rationality test on the optimized monitoring network. We found that: (1) the water quality of Piaoshan (No. 10) fluctuated most distinguishably and the inter-annual variation coefficient of NH3-N and TP could reach 99.77% and 73.92%, respectively. The four studied indexes were all closely related at Piaoshan (No. 10) and Tangyin (No. 11), and the correlation coefficients of COD and NH3-N could reach 0.91 and 0.94 separately. (2) It was suggested that the present site No. 10 be removed to avoid repeatability, and it was suggested that the three sites of Changling, Huzhong, and Nanjiang be added to improve the representativeness of the monitoring sites. (3) According to the rationality analysis, the 21 optimized water quality monitoring sites could scientifically replace the primary network, and the new monitoring network could better reflect the water quality of the whole lake. PMID:25407419

  8. 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

  9. 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.

  10. BOREHOLE SENSING METHODS FOR GROUND-WATER INVESTIGATIONS AT HAZARDOUS WASTE SITES

    EPA Science Inventory

    Geophysical methods are becoming a cost effective approach to providing answers to hydrogeologic questions associated with ground-water contamination. Geophysical methods applicable to hazardous waste site investigations can be broken into two categories: surface and subsurface m...

  11. 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.

  12. 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.

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

    PubMed

    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. PMID:25902402

  14. Insight into the mechanism of phosphoenolpyruvate mutase catalysis derived from site-directed mutagenesis studies of active site residues.

    PubMed

    Jia, Y; Lu, Z; Huang, K; Herzberg, O; Dunaway-Mariano, D

    1999-10-26

    PEP mutase catalyzes the conversion of phosphoenolpyruvate (PEP) to phosphonopyruvate in biosynthetic pathways leading to phosphonate secondary metabolites. A recent X-ray structure [Huang, K., Li, Z., Jia, Y., Dunaway-Mariano, D., and Herzberg, O. (1999) Structure (in press)] of the Mytilus edulis enzyme complexed with the Mg(II) cofactor and oxalate inhibitor reveals an alpha/beta-barrel backbone-fold housing an active site in which Mg(II) is bound by the two carboxylate groups of the oxalate ligand and the side chain of D85 and, via bridging water molecules, by the side chains of D58, D85, D87, and E114. The oxalate ligand, in turn, interacts with the side chains of R159, W44, and S46 and the backbone amide NHs of G47 and L48. Modeling studies identified two feasible PEP binding modes: model A in which PEP replaces oxalate with its carboxylate group interacting with R159 and its phosphoryl group positioned close to D58 and Mg(II) shifting slightly from its original position in the crystal structure, and model B in which PEP replaces oxalate with its phosphoryl group interacting with R159 and Mg(II) retaining its original position. Site-directed mutagenesis studies of the key mutase active site residues (R159, D58, D85, D87, and E114) were carried out in order to evaluate the catalytic roles predicted by the two models. The observed retention of low catalytic activity in the mutants R159A, D85A, D87A, and E114A, coupled with the absence of detectable catalytic activity in D58A, was interpreted as evidence for model A in which D58 functions in nucleophilic catalysis (phosphoryl transfer), R159 functions in PEP carboxylate group binding, and the carboxylates of D85, D87 and E114 function in Mg(II) binding. These results also provide evidence against model B in which R159 serves to mediate the phosphoryl transfer. A catalytic motif, which could serve both the phosphoryl transfer and the C-C cleavage enzymes of the PEP mutase superfamily, is proposed. PMID:10571990

  15. 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

  16. 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)

  17. Laboratory QA/QC improvements for small drinking water systems at Savannah River Site

    SciTech Connect

    Turner, R.D.

    1995-12-01

    The Savannah River Site (SRS), a 310 square mile facility located near Aiken, S.C., is operated by Westinghouse Savannah River Company for the US Department of Energy. SRS has 28 separate drinking water systems with average daily demands ranging from 0.0002 to 0.5 MGD. All systems utilize treated groundwater. Until recently, the water laboratories for each system operated independently. As a result, equipment, reagents, chemicals, procedures, personnel, and quality control practices differed from location to location. Due to this inconsistency, and a lack of extensive laboratory OA/QC practices at some locations, SRS auditors were not confident in the accuracy of daily water quality analyses results. The Site`s Water Services Department addressed these concerns by developing and implementing a practical laboratory QA/QC program. Basic changes were made which can be readily adopted by most small drinking water systems. Key features of the program include: Standardized and upgraded laboratory instrumentation and equipment; standardized analytical procedures based on vendor manuals and site requirements; periodic accuracy checks for all instrumentation; creation of a centralized laboratory to perform metals digestions and chlorine colorimeter accuracy checks; off-site and on-site operator training; proper storage, inventory and shelf life monitoring for reagents and chemicals. This program has enhanced the credibility and accuracy of SRS drinking water system analyses results.

  18. 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. PMID:26505204

  19. 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.

  20. 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.

  1. Metavanadate at the active site of the phosphatase VHZ.

    PubMed

    Kuznetsov, Vyacheslav I; Alexandrova, Anastassia N; Hengge, Alvan C

    2012-09-01

    Vanadate is a potent modulator of a number of biological processes and has been shown by crystal structures and NMR spectroscopy to interact with numerous enzymes. Although these effects often occur under conditions where oligomeric forms dominate, the crystal structures and NMR data suggest that the inhibitory form is usually monomeric orthovanadate, a particularly good inhibitor of phosphatases because of its ability to form stable trigonal-bipyramidal complexes. We performed a computational analysis of a 1.14 Å structure of the phosphatase VHZ in complex with an unusual metavanadate species and compared it with two classical trigonal-bipyramidal vanadate-phosphatase complexes. The results support extensive delocalized bonding to the apical ligands in the classical structures. In contrast, in the VHZ metavanadate complex, the central, planar VO(3)(-) moiety has only one apical ligand, the nucleophilic Cys95, and a gap in electron density between V and S. A computational analysis showed that the V-S interaction is primarily ionic. A mechanism is proposed to explain the formation of metavanadate in the active site from a dimeric vanadate species that previous crystallographic evidence has shown to be able to bind to the active sites of phosphatases related to VHZ. Together, the results show that the interaction of vanadate with biological systems is not solely reliant upon the prior formation of a particular inhibitory form in solution. The catalytic properties of an enzyme may act upon the oligomeric forms primarily present in solution to generate species such as the metavanadate ion observed in the VHZ structure. PMID:22876963

  2. Multiple-Use Site Demand Analysis: An Application to the Boundary Waters Canoe Area Wilderness.

    ERIC Educational Resources Information Center

    Peterson, George L.; And Others

    1982-01-01

    A single-site, multiple-use model for analyzing trip demand is derived from a multiple site regional model based on utility maximizing choice theory. The model is used to analyze and compare trips to the Boundary Waters Canoe Area Wilderness for several types of use. Travel cost elasticities of demand are compared and discussed. (Authors/JN)

  3. USING SIMPLE MATHEMATICAL MODELS FOR ESTIMATING IMPACTS TO GROUND WATER AT PETROLEUM RELEASE SITES - WORKSHOP

    EPA Science Inventory

    Regulators and consultants alike are routinely tasked with predicting potential future impacts to ground water resources from leaking underground storage tank (LUST) sites. Site data is usually sparse, variable, and uncertain at best. However, this type of data can be evaluated ...

  4. Water, energy and carbon flux observations from ARS watersheds and agro-ecosystem experimental sites

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Several ARS watershed locations and long term experimental/monitoring sites have been measuring water, energy and carbon fluxes using the eddy covariance technique. Several sites have been collecting flux data for 5 to 10 years, while other locations have recently started a monitoring program. The...

  5. Migration of Contaminated Ground Water Under Control at High-Priority Cleanup Sites

    EPA Science Inventory

    This indicator describes the percentage of National Priority List (NPL) or Superfund Indicator Baseline sites and Resource Conservation and Recovery Act (RCRA) Cleanup Baseline sites from 2000 to 2007 where government officials have determined that contaminated ground water is...

  6. Transport and Fate of Nitrate and Pathogens at a Dairy Lagoon Water Application Site

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A field study has been initiated to quantify the vadose zone transport and fate of nutrients and indicator microbes at a dairy lagoon water application site. This site has been heavily instrumented with 48 thermometers, 48 tensiometers, 10 neutron access tubes, 8 electrical conductivity gauges, 2 w...

  7. 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)

  8. ARSENIC GEOCHEMICAL BEHAVIOR DURING GROUND WATER-SURFACE WATER INTERACTIONS AT A CONTAMINATED SITE

    EPA Science Inventory

    Research results will be presented that address arsenic mobilization and cycling mechanisms at a Superfund site in eastern Massachusetts. The site is located in the headwaters of the Aberjona Watershed. In order to support assessments of the risk posed by off-site migration of ar...

  9. Mimicking enzymatic active sites on surfaces for energy conversion chemistry.

    PubMed

    Gutzler, Rico; Stepanow, Sebastian; Grumelli, Doris; Lingenfelder, Magalí; Kern, Klaus

    2015-07-21

    Metal-organic supramolecular chemistry on surfaces has matured to a point where its underlying growth mechanisms are well understood and structures of defined coordination environments of metal atoms can be synthesized in a controlled and reproducible procedure. With surface-confined molecular self-assembly, scientists have a tool box at hand which can be used to prepare structures with desired properties, as for example a defined oxidation number and spin state of the transition metal atoms within the organic matrix. From a structural point of view, these coordination sites in the supramolecular structure resemble the catalytically active sites of metallo-enzymes, both characterized by metal centers coordinated to organic ligands. Several chemical reactions take place at these embedded metal ions in enzymes and the question arises whether these reactions also take place using metal-organic networks as catalysts. Mimicking the active site of metal atoms and organic ligands of enzymes in artificial systems is the key to understanding the selectivity and efficiency of enzymatic reactions. Their catalytic activity depends on various parameters including the charge and spin configuration in the metal ion, but also on the organic environment, which can stabilize intermediate reaction products, inhibits catalytic deactivation, and serves mostly as a transport channel for the reactants and products and therefore ensures the selectivity of the enzyme. Charge and spin on the transition metal in enzymes depend on the one hand on the specific metal element, and on the other hand on its organic coordination environment. These two parameters can carefully be adjusted in surface confined metal-organic networks, which can be synthesized by virtue of combinatorial mixing of building synthons. Different organic ligands with varying functional groups can be combined with several transition metals and spontaneously assemble into ordered networks. The catalytically active metal

  10. 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.

  11. 36 CFR 1002.63 - Boating and water use activities.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 36 Parks, Forests, and Public Property 3 2014-07-01 2014-07-01 false Boating and water use activities. 1002.63 Section 1002.63 Parks, Forests, and Public Property PRESIDIO TRUST RESOURCE PROTECTION, PUBLIC USE AND RECREATION § 1002.63 Boating and water use activities. Swimming, boating and the use of any water vessel are prohibited within...

  12. 36 CFR 1002.63 - Boating and water use activities.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Boating and water use activities. 1002.63 Section 1002.63 Parks, Forests, and Public Property PRESIDIO TRUST RESOURCE PROTECTION, PUBLIC USE AND RECREATION § 1002.63 Boating and water use activities. Swimming, boating and the use of any water vessel are prohibited within...

  13. 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.

  14. 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.

  15. RESTORATION OF FAILING ON-SITE WASTEWATER DISPOSAL SYSTEMS USING WATER CONSERVATION

    EPA Science Inventory

    A study was made to determine the ability of existing water conservation hardware to correct malfunctioning on-site wastewater disposal systems resulting from soil clogging and to document, under actual use conditions, possible reduction of wastewater with water conservation hard...

  16. 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

  17. Hybrid [FeFe]-hydrogenases with modified active sites show remarkable residual enzymatic activity.

    PubMed

    Siebel, Judith F; Adamska-Venkatesh, Agnieszka; Weber, Katharina; Rumpel, Sigrun; Reijerse, Edward; Lubitz, Wolfgang

    2015-02-24

    [FeFe]-hydrogenases are to date the only enzymes for which it has been demonstrated that the native inorganic binuclear cofactor of the active site Fe2(adt)(CO)3(CN)2 (adt = azadithiolate = [S-CH2-NH-CH2-S](2-)) can be synthesized on the laboratory bench and subsequently inserted into the unmaturated enzyme to yield fully functional holo-enzyme (Berggren, G. et al. (2013) Nature 499, 66-70; Esselborn, J. et al. (2013) Nat. Chem. Biol. 9, 607-610). In the current study, we exploit this procedure to introduce non-native cofactors into the enzyme. Mimics of the binuclear subcluster with a modified bridging dithiolate ligand (thiodithiolate, N-methylazadithiolate, dimethyl-azadithiolate) and three variants containing only one CN(-) ligand were inserted into the active site of the enzyme. We investigated the activity of these variants for hydrogen oxidation as well as proton reduction and their structural accommodation within the active site was analyzed using Fourier transform infrared spectroscopy. Interestingly, the monocyanide variant with the azadithiolate bridge showed ∼50% of the native enzyme activity. This would suggest that the CN(-) ligands are not essential for catalytic activity, but rather serve to anchor the binuclear subsite inside the protein pocket through hydrogen bonding. The inserted artificial cofactors with a propanedithiolate and an N-methylazadithiolate bridge as well as their monocyanide variants also showed residual activity. However, these activities were less than 1% of the native enzyme. Our findings indicate that even small changes in the dithiolate bridge of the binuclear subsite lead to a rather strong decrease of the catalytic activity. We conclude that both the Brønsted base function and the conformational flexibility of the native azadithiolate amine moiety are essential for the high catalytic activity of the native enzyme. PMID:25633077

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

    PubMed

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

    2015-05-01

    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 (M w 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

  19. 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.

  20. Trees as indicators of subterranean water flow from a retired radioactive waste disposal site.

    PubMed

    Rickard, W H; Kirby, L J

    1987-02-01

    Tree sampling helped locate a subterranean flow of tritiated water from a low-level radioactive waste disposal site that had not been detected by well water monitoring alone. Deciduous trees growing in a natural forest on the hillsides downslope from the site were sampled for the presence of tritiated water in sap of maple trees and in leaf water extracted from oak and hickory trees. Elevated concentrations of 3H were detected in the leaf water extracted from several trees located 50 m downslope from the western boundary of the fenced exclusion zone. A 3-m-deep well drilled near these trees indicated that the source of tritiated water was a narrow zone of subterranean flow. PMID:3818287

  1. 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

  2. Impact of prolonged storm activity on the Ecological Status of intertidal benthic habitats within oyster (Crassostrea gigas) trestle cultivation sites.

    PubMed

    O'Carroll, Jack P J; Quinn, Christina; Forde, James; Patterson, Adrian; O'Beirn, Francis X; Kennedy, Robert

    2016-09-15

    The Ecological Status (ES; sensu the Water Framework Directive) of intertidal benthic communities within six oyster trestle cultivation sites was found to be negatively impacted along the access routes to trestles in a 2013 study. All cultivation sites occur within Natura 2000 sites. The current study revisited four of the 2013 cultivation sites in February 2014 one month after the storm activity of winter 2013/14 to test if the compaction effect along access routes persisted after the storms. Three levels of the fixed factor treatment were sampled; immediately below the trestles, along the access route and 300m away from any anthropogenic activity. The compaction effect at the Access treatment persisted in spite of the major storm activity. The current study showed the IQI to be effective for assessing the impacts of aquaculture and highlights the IQI as a tool for monitoring Conservation Status of intertidal communities under the Habitats Directive. PMID:27373942

  3. 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.

  4. Status of FY 1988 soil-water balance studies on the Hanford site

    SciTech Connect

    Gee, G.W.; Rockhold, M.L.; Downs, J.L.

    1989-02-01

    Natural recharge (i.e., the amount of water from meteorological sources, such as rainfall or snowmelt, that infiltrates through the vadose zone to the groundwater table) at the Hanford Site is a variable quantity because it depends on soil, plant, and climatic factors that vary in time and space over the Site. Water balance data have been collected at selected locations at the Hanford Site for the past 10 years in an attempt to measure or estimate natural recharge for known soil, plant, and climatic conditions. The data collected include precipitation, neutron probe measured water content (storage), and drainage measurements from lysimeters. The lysimeter studies provided the first quantitative estimates of natural recharge at the Hanford Site. 12 refs., 40 figs., 11 tabs.

  5. 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.

  6. The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.

    PubMed

    Hojamberdiev, Mirabbos; Bekheet, Maged F; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya

    2016-08-01

    The effect of the Ta/Nb ratio in the (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 (0 ≤ x ≤ 4) crystals grown by a KCl flux method on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives BaNb1-xTaxO2N (0 ≤ x ≤ 1) was investigated. The Rietveld refinement of X-ray data revealed that all Ba5Nb4-xTaxO15 samples were well crystallized in the space group P3[combining macron]m1 (no. 164). Phase-pure BaNb1-xTaxO2N (0 ≤ x ≤ 1) porous structures were obtained by nitridation of the flux-grown oxide crystals at 950 °C for 20, 25, 30, 35, and 40 h, respectively. The absorption edge of BaNb1-xTaxO2N (0 ≤ x ≤ 1) was slightly shifted from 720 to 690 nm with the increasing Ta/Nb ratio. The O2 evolution rate gradually progressed and reached the highest value (127.24 μmol in the first 2 h) with the Ta content up to 50 mol% but decreased at 75 and 100 mol% presumably due to the reduced specific surface area and high density of structural defects, such as grain boundaries acting as recombination centers, originated from high-temperature nitridation for prolonged periods. Transient absorption spectroscopy provided evidence for the effect of the Ta/Nb ratio on the behavior and energy states of photogenerated charge carriers, indicating a direct correlation with photocatalytic water oxidation activity of BaNb1-xTaxO2N. PMID:27437784

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

    PubMed Central

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

    2010-01-01

    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 Vmax and KM 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. PMID:20414456

  8. 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. PMID:26360629

  9. 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)

  10. Active site hydrophobicity is critical to the bioluminescence activity of Vibrio harveyi luciferase.

    PubMed

    Li, Chi-Hui; Tu, Shiao-Chun

    2005-10-01

    Vibrio harveyi luciferase is an alphabeta heterodimer containing a single active site, proposed earlier to be at a cleft in the alpha subunit. In this work, six conserved phenylalanine residues at this proposed active site were subjected to site-directed mutations to investigate their possible functional roles and to delineate the makeup of luciferase active site. After initial screening of Phe --> Ala mutants, alphaF46, alphaF49, alphaF114, and alphaF117 were chosen for additional mutations to Asp, Ser, and Tyr. Comparisons of the general kinetic properties of wild-type and mutated luciferases indicated that the hydrophobic nature of alphaF46, alphaF49, alphaF114, and alphaF117 was important to luciferase V(max) and V(max)/K(m), which were reduced by 3-5 orders of magnitude for the Phe --> Asp mutants. Both alphaF46 and alphaF117 also appeared to be involved in the binding of reduced flavin substrate. Additional studies on the stability and yield of the 4a-hydroperoxyflavin intermediate II and measurements of decanal substrate oxidation by alphaF46D, alphaF49D, alphaF114D, and alphaF117D revealed that their marked reductions in the overall quantum yield (phi( degrees )) were a consequence of diminished yields of luciferase intermediates and, with the exception of alphaF114D, emission quantum yield of the excited emitter due to the replacement of the hydrophobic Phe by the anionic Asp. The locations of these four critical Phe residues in relation to other essential and/or hydrophobic residues are depicted in a refined map of the active site. Functional implications of these residues are discussed. PMID:16185065

  11. An Assessment of Drinking-Water Supplies on the Hanford Site: An Evaluation Conducted at a Federal Nuclear Facility in Southeastern Washington State

    SciTech Connect

    Hanf, Robert W.; 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 obtained from onsite groundwater wells. Because of the large amount of stored radioactive and chemical waste at Hanford, and the approximately 1,400 waste disposal locations, there is some concern that remaining waste materials are contaminating onsite drinking water supplies. This paper describes the drinking water systems and treatment requirements on the Hanford Site and summarizes radiological and non-radiological water quality data obtained from water samples collected from drinking water systems in use in 2001 and 2002. Monitoring data show that Hanford-produced radionuclides are measurable in some drinking water samples. The only non-radiological contaminants detected were either byproducts of the chlorination process or from offsite agricultural activities. Values of all contaminants were, in all cases, below state and federal annual average 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.

  12. 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

  13. 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. PMID:26409188

  14. 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.

  15. Modulation of environmental dynamics at the active site and activity of an enzyme under nanoscopic confinement: Subtilisin Carlsberg in anionic AOT reverse micelle.

    PubMed

    Rakshit, Surajit; Saha, Ranajay; Pal, Samir Kumar

    2013-10-01

    Hydration dynamics plays a crucial role in determining the structure, function, dynamics, and stability of an enzyme. These dynamics involve the trapped-water motions within small distance along with the total protein dynamics. However, the exact molecular basis for the induction of enzyme function by water dynamics is still remain unclear. Here, we have studied both enzymatic activity and environmental dynamics at the active site of an enzyme, Subtilisin Carlsberg (SC), under confined environment of the reverse micelle (RM) retaining the structural integrity of the protein. Kinetic measurements show that enzymatic activity increases with increasing the water content of the RM. The picosecond-resolved fluorescence Stokes shift studies indicate faster hydration dynamics at the active site of the enzyme with increasing the water content in the RM (w0 values). Temperature-dependent hydration dynamics studies demonstrate the increased flexibility of the protein at higher temperature under confinement. From temperature-dependent solvation dynamics study, we have also calculated the activation energy that has to be overcome for full orientational freedom to the water molecules from bound to free-state. The results presented here establish a correlation between the enzymatic activity and dynamics of hydration of the encapsulated protein SC in cell-like confined environment within the structural integrity of the enzyme. PMID:24004033

  16. 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

  17. 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. PMID:26284035

  18. A proposed definition of the 'activity' of surface sites on lactose carriers for dry powder inhalation.

    PubMed

    Grasmeijer, Floris; Frijlink, Henderik W; de Boer, Anne H

    2014-06-01

    A new definition of the activity of surface sites on lactose carriers for dry powder inhalation is proposed which relates to drug detachment during dispersion. The new definition is expected to improve the understanding of 'carrier surface site activity', which stimulates the unambiguous communication about this subject and may aid in the rational design and interpretation of future formulation studies. In contrast to the currently prevailing view on carrier surface site activity, it follows from the newly proposed definition that carrier surface site activity depends on more variables than just the physicochemical properties of the carrier surface. Because the term 'active sites' is ambiguous, it is recommended to use the term 'highly active sites' instead to denote carrier surface sites with a relatively high activity. PMID:24613490

  19. 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...

  20. Stormwater runoff water quality evaluation and management program for hazardous chemical sites: Development issues

    SciTech Connect

    Lee, G.F.; Jones-Lee, A.

    1998-12-31

    The deficiencies in the typical stormwater runoff water quality monitoring from hazardous chemical sites and an alternative approach (Evaluation Monitoring) for monitoring that shifts the monitoring program from periodic sampling and analysis of stormwater runoff for a suite of chemical parameters to examining the receiving waters to determine what, if any, water quality use impairments are occurring due to the runoff-associated constituents is presented in this paper. Rather than measuring potentially toxic constituents such as heavy metals in runoff, the monitoring program determines whether there is aquatic life toxicity in the receiving waters associated with the stormwater runoff. If toxicity is found, its cause is determined and the source of the constituents causing the toxicity is identified through forensic analysis. Based on this information, site-specific, technically valid stormwater runoff management programs can be developed that will control real water quality impacts caused by stormwater runoff-associated constituents.

  1. 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.

  2. 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.

  3. 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. PMID:25727891

  4. Construction of DNA recognition sites active in Haemophilus transformation.

    PubMed Central

    Danner, D B; Smith, H O; Narang, S A

    1982-01-01

    Competent Haemophilus cells recognize and preferentially take up Haemophilus DNA during genetic transformation. This preferential uptake is correlated with the presence on incoming DNA of an 11-base-pair (bp) sequence, 5'-A-A-G-T-G-C-G-G-T-C-A-3'. To prove that this sequence is the recognition site that identifies Haemophilus DNA to the competent cell, we have now constructed a series of plasmids, each of which contains the 11-bp sequence. Using two different assay systems we have tested the ability of fragments from these plasmids to compete with cloned Haemophilus DNA fragments that naturally contain the 11-bp sequence. We find that the addition of the 11-bp sequence to a DNA fragment is necessary and sufficient for preferential uptake of that fragment. However, plasmid DNAs containing this sequence may vary as much as 48-fold in uptake activity, and this variation correlates with the A+T-richness of the DNA flanking the 11-mer. Images PMID:6285382

  5. Characterization of active site residues of nitroalkane oxidase.

    PubMed

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

    2010-06-01

    The flavoenzyme nitroalkane oxidase catalyzes the oxidation of primary and secondary nitroalkanes to the corresponding aldehydes and ketones plus nitrite. The structure of the enzyme shows that Ser171 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 approximately 5-fold and decreases in the rate constant for product release of approximately 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

  6. 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.

  7. N6-Methyldeoxyadenosine Marks Active Transcription Start Sites in Chlamydomonas

    PubMed Central

    Chen, Kai; Deng, Xin; Yu, Miao; Han, Dali; Hao, Ziyang; Liu, Jianzhao; Lu, Xingyu; Dore, Louis C; Weng, Xiaocheng; Ji, Quanjiang; Mets, Laurens; He, Chuan

    2015-01-01

    SUMMARY N6-methyldeoxyadenosine (6mA or m6A) is a DNA modification preserved in prokaryotes to eukaryotes. It is widespread in bacteria, and functions in DNA mismatch repair, chromosome segregation, and virulence regulation. In contrast, the distribution and function of 6mA in eukaryotes have been unclear. Here we present a comprehensive analysis of the 6mA landscape in the genome of Chlamydomonas using new sequencing approaches. We identified the 6mA modification in 84% of genes in Chlamydomonas. We found that 6mA mainly locates at ApT dinucleotides around transcription start sites (TSS) with a bimodal distribution, and appears to mark active genes. A periodic pattern of 6mA deposition was also observed at base resolution, which is associated with nucleosome distribution near the TSS, suggesting a possible role in nucleosome positioning. The new genome-wide mapping of 6mA and its unique distribution in the Chlamydomonas genome suggest potential regulatory roles of 6mA in gene expression in eukaryotic organisms. PMID:25936837

  8. An approach towards site selection for water banking in unconfined aquifers through artificial recharge

    NASA Astrophysics Data System (ADS)

    Bhuiyan, Chandrashekhar

    2015-04-01

    Selection of sites for water banking is very crucial for successful recovery of groundwater at the time of need. Attempts were made earlier to demarcate artificial recharge sites, and several indices were proposed for post-event evaluation of site-efficiency. In the present study a step-by-step method has been proposed for pre-event site selection for groundwater banking, based on meteorological, hydrological, hydraulic and hydrogeological parameters. Further, an index has been developed to evaluate site-efficiency. The proposed Normalized Difference Water Recovery Index (NDWRI) is the normalized ratio of water input and output in terms of recharge and productivity. Greater the value of yield, productivity, and the NDWRI higher is the suitability of the site for subsurface water banking. The index assumes a linear relation between recharge and sustainability of well productivity. In this article, the proposed methodology is explained and the related issues are discussed with a case study in the hard-rock Aravalli terrain of India.

  9. Identification of catalytically important residues in the active site of Escherichia coli transaldolase.

    PubMed

    Schörken, U; Thorell, S; Schürmann, M; Jia, J; Sprenger, G A; Schneider, G

    2001-04-01

    The roles of invariant residues at the active site of transaldolase B from Escherichia coli have been probed by site-directed mutagenesis. The mutant enzymes D17A, N35A, E96A, T156A, and S176A were purified from a talB-deficient host and analyzed with respect to their 3D structure and kinetic behavior. X-ray analysis showed that side chain replacement did not induce unanticipated structural changes in the mutant enzymes. Three mutations, N35A, E96A, and T156A resulted mainly in an effect on apparent kcat, with little changes in apparent Km values for the substrates. Residues N35 and T156 are involved in the positioning of a catalytic water molecule at the active site and the side chain of E96 participates in concert with this water molecule in proton transfer during catalysis. Substitution of Ser176 by alanine resulted in a mutant enzyme with 2.5% residual activity. The apparent Km value for the donor substrate, fructose 6-phosphate, was increased nearly fivefold while the apparent Km value for the acceptor substrate, erythrose 4-phosphate remained unchanged, consistent with a function for S176 in the binding of the C1 hydroxyl group of the donor substrate. The mutant D17A showed a 300-fold decrease in kcat, and a fivefold increase in the apparent Km value for the acceptor substrate erythrose 4-phosphate, suggesting a role of this residue in carbon-carbon bond cleavage and stabilization of the carbanion/enamine intermediate. PMID:11298760

  10. Give Water a Hand. Community 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 within a community, 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…

  11. Give Water a Hand. Home 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 within the home 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…

  12. Relating ground water and sediment chemistry to microbial characterization at a BTEX-contaminated site.

    PubMed

    Pfiffner, S M; Palumbo, A V; Gibson, T; Ringelberg, D B; McCarthy, J F

    1997-01-01

    The National Center for Manufacturing Science is investigating bioremediation of petroleum hydrocarbon at a site near Belleville, MI. As part of this study, we examined the microbial communities to help elucidate biodegradative processes currently active at the site. We observed high densities of aerobic hydrocarbon degraders and denitrifiers in the less-contaminated sediments. Low densities of iron and sulfate reducers were measured in the same sediments. In contrast, the highly contaminated sediments showed low densities of aerobic hydrocarbon degraders and denitrifiers, and high densities of iron and sulfate reducers. Methanogens were also found in these highly contaminated sediments. These contaminated sediments also showed a higher biomass, by the phospholipid fatty acids, and greater ratios of phospholipid fatty acids, which indicate stress within the microbial community. Aquifer chemistry analyses indicated that the highly contaminated area was more reduced and had lower sulfate than the less-contaminated area. These conditions suggest that the subsurface environment at the highly contaminated area had progressed into sulfate reduction and methanogenesis. The less-contaminated area, although less reduced, also appeared to be progressing into primarily iron- and sulfate-reducing microbial communities. The proposed treatment to stimulate bioremediation includes addition of oxygen and nitrate to the subsurface. Ground water chemistry and microbial analyses revealed significant differences that resulted from the injection of dissolved oxygen and nitrate. These differences included an increase in Eh, small decrease in pH, and large decreases in BTEX, dissolved iron, and sulfate concentrations at the injection well. Injected nitrate was rapidly utilized by the subsurface microbial communities, and significant nitrite amounts were observed in the injection well and in nearby down-gradient observation wells. Microbial and molecular analyses indicated an increase in

  13. Raman Lidar Water Vapor Measurements at the DOE SGP CART Site

    NASA Technical Reports Server (NTRS)

    Whiteman, David N.; Smith, David E. (Technical Monitor)

    2001-01-01

    The NASA/GSFC Scanning Raman Lidar (SRL) was deployed to the Department of Energy's (DOE) Cloud and Radiation Testbed site in northern Oklahoma September - December, 2000 for two DOE sponsored field campaigns: 1) the Water Vapor Intensive Operations Experiment 2000 and 2) the Atmospheric Radiations Measurement First International Satellite Cloud Climatology Experiment Experiment (AFWEX). WvIOP2000 focussed on water vapor measurements in the lower troposphere while AFWEX focussed on upper tropospheric water vapor. For the first time ever, four water vapor lidars were operated simultaneously: one airborne and three ground-based systems. Intercomparisons of these measurements and others will be presented at the meeting.

  14. 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...

  15. 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...

  16. 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...

  17. 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...

  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. 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

  20. 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.

  1. Site assessors take note: Water doesn`t always flow downhill

    SciTech Connect

    Shuey, R.W. |

    1996-05-01

    With increasing frequency, geologists are being called as expert witnesses to testify in court that water does not necessarily flow downhill--a fact that has been overlooked by the environmental consulting industry. Environmental site assessments that are performed quickly by unqualified people and within the bounds of very tight budgets are inaccurate because contaminated groundwater from downgradient sites is showing up in upgradient wells. Much of the litigation involving groundwater contamination revolves around the fact that groundwater environments vary--water can behave differently in one environment than it does in another. The regional environment considers the characteristics of groundwater movement in a geologic environment encompassing many square miles, whereas the local or site-specific environment may involve only a single property. Although groundwater at a regional level tends to flow in the direction of the slope of regional topography, many surface and subsurface characteristics will affect the direction of groundwater flow before it reaches the water table.

  2. 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

  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. 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.

  5. Identification of dissolved-constituent sources in mine-site ground water using batch mixing

    USGS Publications Warehouse

    Clark, Gregory M.; Williams, Robert S., Jr.

    1991-01-01

    Batch-mixing experiments were used to help identify lithologic and mineralogic sources of increased concentrations of dissolved solids in water affected by surface coal mining in northwestern Colorado. Ten overburden core samples were analyzed for mineral composition and mixed with distilled water for 90 days until mineral-water equilibrium was reached. Between one day and 90 days after initial contact, specific conductance in the sample mixtures had a median increase of 306 percent. Dissolved-solids concentrations ranged from 200 to 8,700 mg/L in water samples extracted from the mixtures after 90 days. Mass-balance simulations were conducted using the geochemical models BALANCE and WATEQF to quantify mineral-water interactions occurring in five selected sample mixtures and in water collected from a spring at a reclaimed mine site. The spring water is affected by mineral-water interactions occurring in all of the lithologic units comprising the overburden. Results of the simulations indicate that oxidation of pyrite, dissolution of dolomite, gypsum, and epsomite, and cation-exchange reactions are the primary mineral-water interactions occurring in the overburden. Three lithologic units in the overburden (a coal, a sandstone, and a shale) probably contribute most of the dissolved solids to the spring water. Water sample extracts from mixtures using core from these three units accounted for 85 percent of the total dissolved solids in the 10 sample extracts. Other lithologic units in the over-burden probably contribute smaller quantities of dissolved solids to the spring water.

  6. 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.

  7. Active-site mutagenesis of tetanus neurotoxin implicates TYR-375 and GLU-271 in metalloproteolytic activity.

    PubMed

    Rossetto, O; Caccin, P; Rigoni, M; Tonello, F; Bortoletto, N; Stevens, R C; Montecucco, C

    2001-08-01

    Tetanus neurotoxin (TeNT) blocks neurotransmitter release by cleaving VAMP/synaptobrevin, a membrane associated protein involved in synaptic vesicle fusion. Such activity is exerted by the N-terminal 50kDa domain of TeNT which is a zinc-dependent endopeptidase (TeNT-L-chain). Based on the three-dimensional structure of botulinum neurotoxin serotype A (BoNT/A) and serotype B (BoNT/B), two proteins closely related to TeNT, and on X-ray scattering studies of TeNT, we have designed mutations at two active site residues to probe their involvement in activity. The active site of metalloproteases is composed of a primary sphere of residues co-ordinating the zinc atom, and a secondary sphere of residues that determines proteolytic specificity and activity. Glu-261 and Glu-267 directly co-ordinates the zinc atom in BoNT/A and BoNT/B respectively and the corresponding residue of TeNT was replaced by Asp or by the non conservative residue Ala. Tyr-365 is 4.3A away from zinc in BoNT/A, and the corresponding residue of TeNT was replaced by Phe or by Ala. The purified mutants had CD, fluorescence and UV spectra closely similar to those of the wild-type molecule. The proteolytic activity of TeNT-Asp-271 (E271D) is similar to that of the native molecule, whereas that of TeNT-Phe-375 (Y375F) is lower than the control. Interestingly, the two Ala mutants are completely devoid of enzymatic activity. These results demonstrate that both Glu-271 and Tyr-375 are essential for the proteolytic activity of TeNT. PMID:11306125

  8. 36 CFR 1002.63 - Boating and water use activities.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Boating and water use..., PUBLIC USE AND RECREATION § 1002.63 Boating and water use activities. Swimming, boating and the use of any water vessel are prohibited within the area administered by the Presidio Trust....

  9. 36 CFR 1002.63 - Boating and water use activities.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 36 Parks, Forests, and Public Property 3 2013-07-01 2012-07-01 true Boating and water use..., PUBLIC USE AND RECREATION § 1002.63 Boating and water use activities. Swimming, boating and the use of any water vessel are prohibited within the area administered by the Presidio Trust....

  10. 36 CFR 1002.63 - Boating and water use activities.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 36 Parks, Forests, and Public Property 3 2012-07-01 2012-07-01 false Boating and water use..., PUBLIC USE AND RECREATION § 1002.63 Boating and water use activities. Swimming, boating and the use of any water vessel are prohibited within the area administered by the Presidio Trust....

  11. Liquid water and active resurfacing on Europa

    NASA Technical Reports Server (NTRS)

    Squyres, S. W.; Reynolds, R. T.; Cassen, P. M.; Peale, S. J.

    1983-01-01

    Arguments for recent resurfacing of Europa by H2O from a liquid layer are presented, based on new interpretations of recent spacecraft and earth-based observations and revised theoretical calculations. The heat flow in the core and shell due to tidal forces is discussed, and considerations of viscosity and convection in the interior are found to imply water retention in the outer 60 km or so of the silicates, forming a layer of water/ice many tens of km thick. The outer ice crust is considered to be too thin to support heat transport rates sufficient to freeze the underlying water. Observational evidence for the calculations would consist of an insulating layer of frosts derived from water boiling up between cracks in the surface crust. Evidence for the existence of such a frost layer, including the photometric function of Europa and the deposits of sulfur on the trailing hemisphere, is discussed.

  12. Dynamically Achieved Active Site Precision in Enzyme Catalysis

    PubMed Central

    2015-01-01

    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. PMID:25539048

  13. Current water resources activities in Arkansas, 1984-85

    USGS Publications Warehouse

    Louthian, B.L.; Gann, E.E.

    1985-01-01

    This report describes water resources activities conducted by the Arkansas District of the U.S. Geological Survey, Water Resources Division, during fiscal years 1984 and 1985. Activities included surface water, groundwater, water quality, and water-use investigations. Twenty-five projects were funded during 1984 and 1985. For each project, a description of the project objectives, approach, plans and reports is included. Lists are included of reports completed during the period and of reports previously published by, or in conjunction with the Geological Survey. (USGS)

  14. Current water resources activities in Arkansas, 1986-87

    USGS Publications Warehouse

    Louthian, B.L.; Gann, E.E.

    1988-01-01

    This report describes water resources activities conducted by the Arkansas District of the U.S. Geological Survey, Water Resources Division during fiscal years 1986 and 1987. Activities included surface water, groundwater, water quality, and water-use investigations. Eighteen projects were funded during 1986 and 1987. For each project, a description of the project objectives, approach, plans and reports is included. Lists are included of reports completed during the period and of reports previously published by, or in conjunction with, the Geological Survey. (USGS)

  15. Water resources activities in Louisiana district, fiscal year 1985

    USGS Publications Warehouse

    Herbert, R.A.; Ellsworth, E.A.

    1985-01-01

    Water resources activities of the U.S. Geological Survey (USGS) in Louisiana consist of collecting water resources data and conducting interpretive hydrologic investigations and research. The water resources data and the results of the interpretive investigations are published or released by either the USGS or by cooperating agencies. The USGS water resources activities in Louisiana for the 1985 fiscal year (October 1, 1984 to September 30, 1985) are described, including data collection and dissemination, water resources appraisals (interpretive studies) and research. (Lantz-PTT)

  16. 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.

  17. 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.

  18. Water at Biological Phase Boundaries: Its Role in Interfacial Activation of Enzymes and Metabolic Pathways.

    PubMed

    Damodaran, Srinivasan

    2015-01-01

    Many life-sustaining activities in living cells occur at the membrane-water interface. The pertinent questions that we need to ask are, what are the evolutionary reasons in biology for choosing the membrane-water interface as the site for performing and/or controlling crucial biological reactions, and what is the key physical principle that is very singular to the membrane-water interface that biology exploits for regulating metabolic processes in cells? In this chapter, a hypothesis is developed, which espouses that cells control activities of membrane-bound enzymes through manipulation of the thermodynamic activity of water in the lipid-water interfacial region. The hypothesis is based on the fact that the surface pressure of a lipid monolayer is a direct measure of the thermodynamic activity of water at the lipid-water interface. Accordingly, the surface pressure-dependent activation or inactivation of interfacial enzymes is directly related to changes in the thermodynamic activity of interfacial water. Extension of this argument suggests that cells may manipulate conformations (and activities) of membrane-bound enzymes by manipulating the (re)activity of interfacial water at various locations in the membrane by localized compression or expansion of the interface. In this respect, cells may use the membrane-bound hormone receptors, lipid phase transition, and local variations in membrane lipid composition as effectors of local compression and/or expansion of membrane, and thereby local water activity. Several experimental data in the literature will be reexamined in the light of this hypothesis. PMID:26438268

  19. Attention Science Teachers: Classroom Activities with Water.

    ERIC Educational Resources Information Center

    HAZWRAP, The Hazardous Waste Remedial Actions Program.

    This collection of 10 activities is designed to give students a better grasp of concepts relating to groundwater, aquifers, and hydrology. Activities can be conducted as a demonstration (especially for younger students) or as a laboratory activity for students in higher grades. The guide contains an introduction for teachers and students, a…

  20. Water activity in supersaturated aqueous solutions of organic solutes

    NASA Astrophysics Data System (ADS)

    Na, Han-Soo; Arnold, Stephen; Myerson, Allan S.

    1995-04-01

    Measurements of water activity in supersaturated aqueous organic solutions of glycine, alanine, succinic acid and itaconic acid were made far into the metastable zone by levitating micron-sized droplets electrodynamically in a spherical void electrodynamic levitator trap (SVELT) with a water vapor reservoir. The concentration dependent behavior of the activity was examined in relationship to the molecular interactions for solutions.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Estrogen and androgen receptor activities of hydraulic fracturing chemicals and surface and ground water in a drilling-dense region

    USGS Publications Warehouse

    Kassotis, Christopher D.; Tillitt, Donald E.; Davis, J. Wade; Hormann, Anette M.; Nagel, Susan C.

    2014-01-01

    The rapid rise in natural gas extraction using hydraulic fracturing increases the potential for contamination of surface and ground water from chemicals used throughout the process. Hundreds of products containing more than 750 chemicals and components are potentially used throughout the extraction process, including more than 100 known or suspected endocrine-disrupting chemicals. We hypothesized thataselected subset of chemicalsusedin natural gas drilling operationsandalso surface and ground water samples collected in a drilling-dense region of Garfield County, Colorado, would exhibit estrogen and androgen receptor activities. Water samples were collected, solid-phase extracted, and measured for estrogen and androgen receptor activities using reporter gene assays in human cell lines. Of the 39 unique water samples, 89%, 41%, 12%, and 46% exhibited estrogenic, antiestrogenic, androgenic, and antiandrogenic activities, respectively. Testing of a subset of natural gas drilling chemicals revealed novel antiestrogenic, novel antiandrogenic, and limited estrogenic activities. The Colorado River, the drainage basin for this region, exhibited moderate levels of estrogenic, antiestrogenic, and antiandrogenic activities, suggesting that higher localized activity at sites with known natural gas–related spills surrounding the river might be contributing to the multiple receptor activities observed in this water source. The majority of water samples collected from sites in a drilling-dense region of Colorado exhibited more estrogenic, antiestrogenic, or antiandrogenic activities than reference sites with limited nearby drilling operations. Our data suggest that natural gas drilling operationsmayresult in elevated endocrine-disrupting chemical activity in surface and ground water.

  6. Ames' mutagenic activity in recycled water from an Israeli water reclamation project

    SciTech Connect

    Neeman, I.; Kroll, R.; Mahler, A.; Rubin, R.J.

    1980-01-01

    Effluent samples taken from a water reclamation project in Israel were analyzed for mutagenicity and toxicity using the Ames assay test. Test results indicate the presence of low levels of mutagens in recycled water taken from the reclamation plant; samples taken from different sites in the plant yielded different levels of mutagenicity. Improved wastewater treatment technology is needed to make water reuse safe. (2 graphs, 15 references, 1 table)

  7. Cloud water deposition at a high-elevation site in the Vosges Mountains (France).

    PubMed

    Herckes, Pierre; Mirabel, Philippe; Wortham, Henri

    2002-09-16

    The importance of cloud water deposition fluxes to a high-elevation site in the Vosges Mountains (France) has been studied. An existing one-dimensional cloud water deposition model has been adapted to site conditions. The adaptation of the main parameters has been tested and is discussed. These tests illustrate the small influence of the surface area index (SAI) and the roughness length on cloud water deposition and the negligible contribution of sedimentation compared to impaction of cloud droplets. Model input data, including cloud water composition, liquid water content (LWC) and wind speed, have been collected over a 1-year period and are used to evaluate annual cloud deposition fluxes of major ions and trace metals. The calculations indicate that the hydrologic input by cloud water (55.5 mm year(-1)) is negligible compared to the input by rainwater (1265 mm year(-1)). However, due to the higher concentrations in cloud water, the deposition fluxes of cloud water represent 10-28% of the total wet deposition (rain + cloud deposition) for major ions and 50% or higher for trace elements. PMID:12398327

  8. Screening breeding sites of the common toad (Bufo bufo) in England and Wales for evidence of endocrine disrupting activity.

    PubMed

    Pickford, Daniel B; Jones, Alexandra; Velez-Pelez, Alejandra; Orton, Frances; Iguchi, Taisen; Mitsui, Naoko; Tooi, Osamu

    2015-07-01

    Anuran amphibians are often present in agricultural landscapes and may therefore be exposed to chemicals in surface waters used for breeding. We used passive accumulation devices (SPMD and POCIS) to sample contaminants from nine breeding sites of the Common toad (Bufo bufo) across England and Wales, measuring endocrine activity of the extracts in a recombinant yeast androgen screen (YAS) and yeast estrogen screen (YES) and an in vitro vitellogenin induction screen in primary culture of Xenopus laevis hepatocytes. We also assessed hatching, growth, survival, and development in caged larvae in situ, and sampled metamorphs for gonadal histopathology. None of the SPMD extracts exhibited estrogen receptor or androgen receptor agonist activity, while POCIS extracts from two sites in west-central England exhibited concentration-dependent androgenic activity in the YAS. Three sites exhibited significant estrogenic activity in both the YES and the Xenopus hepatocyte. Hatching rates varied widely among sites, but there was no consistent correlation between hatching rate and intensity of agricultural activity, predicted concentrations of agrochemicals, or endocrine activity measured in YES/YAS assays. While a small number of intersex individuals were observed, their incidence could not be associated with predicted pesticide exposure or endocrine activitity measured in the in vitro screens. There were no significant differences in sex ratio, as determined by gonadal histomorphology among the study sites, and no significant correlation was observed between proportion of males and predicted exposure to agrochemicals. However, a negative correlation did become apparent in later sampling periods between proportion of males and estrogenic activity of the POCIS sample, as measured in the YES. Our results suggest that larval and adult amphibians may be exposed to endocrine disrupting chemicals in breeding ponds, albeit at low concentrations, and that chemical contaminants other than

  9. Influence of water uptake on the aerosol particle light scattering at remote sites (Invited)

    NASA Astrophysics Data System (ADS)

    Zieger, P.; Fierz-Schmidhauser, R.; Baltensperger, U.; Weingartner, E.

    2013-12-01

    Since ambient aerosol particles experience hygroscopic growth at enhanced relative humidity (RH), their microphysical and optical properties - especially the aerosol light scattering - are also strongly dependent on RH. The knowledge of this RH effect is of importance for climate forcing calculations or for the comparison of remote sensing with in-situ measurements because in the field aerosol in-situ measurements are often performed under dry conditions. The scattering enhancement factor f(RH,λ) is the key parameter to describe this effect of water uptake on the particle light scattering. It is defined as the particle light scattering coefficient σ(RH) at a certain RH and wavelength λ divided by its dry value. Here, we will present results from two remote sites: the Jungfraujoch located at 3580 m a.s.l. in the Swiss Alps and from Zeppelin station located at 78.5°N in the Arctic (Fierz-Schmidhauser et al., 2010; Zieger et al., 2010). Various aerosol optical and microphysical parameters were recorded at these sites using in-situ and remote sensing techniques. The scattering enhancement varied largely from very low values of f(RH=85%,λ=550 nm) around 1.28 for mineral dust transported to the Jungfraujoch to 3.41 for pristine Arctic aerosol. Compensating effects of size and hygroscopicity were observed in the Arctic, i.e. small but less hygroscopic particles eventually had the same magnitude in f(RH) as large but more hygroscopic particles like sea salt. Closure studies and Mie simulations showed that both size and chemical composition determine the magnitude of f(RH). The f(RH)-values from the two remote sites will also be related to values measured at other maritime, rural, and continental sites in Europe (Zieger et al., 2013). Active and passive remote sensing techniques were used to study the vertical distribution of aerosol optical properties around Jungfraujoch. Part of these in-situ measured parameters, together with the RH-dependent σ(RH) were used to

  10. 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.

  11. Improving upon Nature: Active site remodeling produces highly efficient aldolase activity towards hydrophobic electrophilic substrates

    PubMed Central

    Cheriyan, Manoj; Toone, Eric J.; Fierke, Carol A.

    2012-01-01

    Substrate specificity of enzymes is frequently narrow and constrained by multiple interactions, limiting the use of natural enzymes in biocatalytic applications. Aldolases have important synthetic applications, but the usefulness of these enzymes is hampered by their narrow reactivity profile with unnatural substrates. To explore the determinants of substrate selectivity and alter the specificity of E. coli 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase, we employed structure-based mutagenesis coupled with library screening of mutant enzymes localized to the bacterial periplasm. We identified two active site mutations (T161S/S184L) that work additively to enhance the substrate specificity of this aldolase to include catalysis of retro-aldol cleavage of (4S)-2-keto-4-hydroxy-4-(2′-pyridyl)butyrate (S-KHPB). These mutations improve the value of kcat/KMS-KHPB by >450-fold, resulting in a catalytic efficiency that is comparable to that of the wild-type enzyme with the natural substrate while retaining high stereoselectivity. Moreover, the value of kcatS-KHPB for this mutant enzyme, a parameter critical for biocatalytic applications, is 3-fold higher than the maximum value achieved by the natural aldolase with any substrate. This mutant also possesses high catalytic efficiency for the retro-aldol cleavage of the natural substrate, KDPG, and a >50-fold improved activity for cleavage of 2-keto-4-hydroxy-octonoate (KHO), a non-functionalized hydrophobic analog. These data suggest a substrate binding mode that illuminates the origin of facial selectivity in aldol addition reactions catalyzed by KDPG and 2-keto-3-deoxy-6-phosphogalactonate (KDPGal) aldolases. Furthermore, targeting mutations to the active site provides marked improvement in substrate selectivity, demonstrating that structure-guided active site mutagenesis combined with selection techniques can efficiently identify proteins with characteristics that compare favorably to naturally occurring enzymes. PMID

  12. The active sites of supported silver particle catalysts in formaldehyde oxidation.

    PubMed

    Chen, Yaxin; Huang, Zhiwei; Zhou, Meijuan; Hu, Pingping; Du, Chengtian; Kong, Lingdong; Chen, Jianmin; Tang, Xingfu

    2016-08-01

    Surface silver atoms with upshifted d-orbitals are identified as the catalytically active sites in formaldehyde oxidation by correlating their activity with the number of surface silver atoms, and the degree of the d-orbital upshift governs the catalytic performance of the active sites. PMID:27406403

  13. 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

  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. 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

  16. 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.

  17. 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. PMID:26529487

  18. 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

  19. Selection of a site for the DUMAND detector with optimal water transparency

    NASA Astrophysics Data System (ADS)

    Karabashev, G. S.; Kuleshov, A. F.

    1989-06-01

    With reference to selecting a site for the DUMAND detector with optimal water transparency, measurements were made of the spectral distribution of light attenuation coefficients in samples from diffearent bodies of water, including Lake Baikal, the Atlantic Ocean, and the Mediterranean Sea. Results on the detection efficiency of Cerenkov radiation by the DUMAND detector indicate that not only the abyssal waters of the open ocean but also depressions of land-locked seas have the optical properties suitable for the operation of the DUMAND detector.

  20. 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.

  1. 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.

  2. 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...

  3. 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

  4. 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...

  5. 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...

  6. 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...

  7. 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. ily phase residue in the subsurface has continued for the past eight years to release water soluble fuel hydrocarbons into the aquifer. he site was characterized for implementation of in@ic remediation. he sub...

  8. On-site denitrification beds could reduce indirect greenhouse gas emissions from agricultural drainage waters

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Nitrate (NO3-) laden agricultural drainage waters are non-point sources of indirect nitrous oxide (N2O) emissions, which represent a significant fraction of total N2O emissions in the USA. On-site denitrification beds filled with woodchips were used to reduce NO3- under carbon rich anaerobic conditi...

  9. THORIUM-230 DATING OF THERMAL WATERS IN THE VICINITY OF THE NEVADA TEST SITE

    EPA Science Inventory

    Radiochemical measurements of the concentrations of thorium and uranium isotopes were carried out for a total of 10 samples of hot springs mineral springs and lakes collected in the vicinity of the Nevada Test Site. he uranium to thorium ratios in these water found to bemuchhan t...

  10. 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...

  11. NEKTON HABITAT QUALITY AT SHALLOW-WATER SITES IN TWO RHODE ISLAND COASTAL SYSTEMS

    EPA Science Inventory

    We evaluated nekton habitat quality at five shallow-water sites in two Rhode Island systems by comparing nekton densities and biomass, number of species, prey availability and feeding, and abundance of winter flounder Pseudopleuronectes americanus. Nekton density and biomass wer...

  12. The divalent metal ion in the active site of uteroferrin modulates substrate binding and catalysis

    PubMed Central

    Mitić, Nataša; Hadler, Kieran S.; Gahan, Lawrence R; Hengge, Alvan C.; Schenk, Gerhard

    2010-01-01

    The purple acid phosphatases (PAP) are binuclear metallohydrolases that catalyze the hydrolysis of a broad range of phosphomonoester substrates. The mode of substrate binding during catalysis and the identity of the nucleophile is subject to debate. Here, we used native Fe3+-Fe2+ pig PAP (uteroferrin; Uf) and its Fe3+-Mn2+ derivative to investigate the effect of metal ion substitution on the mechanism of catalysis. Replacement of the Fe2+ by Mn2+ lowers the reactivity of Uf. However, using stopped-flow measurements it could be shown that this replacement facilitates approximately a ten-fold faster reaction between both substrate and inorganic phosphate with the chromophoric Fe3+ site. These data also indicate that in both metal forms of Uf, phenyl phosphate hydrolysis occurs faster than formation of a μ-1,3 phosphate complex. The slower rate of interaction between substrate and the Fe3+ site relative to catalysis suggests that the substrate is hydrolyzed while coordinated only to the divalent metal ion. The likely nucleophile is a water molecule in the second coordination sphere, activated by a hydroxide terminally coordinated to Fe3+. The faster rates of interaction with the Fe3+ site in the Fe3+-Mn2+ derivative than the native Fe3+-Fe2+ form are likely mediated via a hydrogen bond network connecting the first and second coordination spheres, and illustrate how the selection of metal ions may be important in fine-tuning the function of this enzyme. PMID:20433174

  13. Improving surface-subsurface water budgeting for Brownfield study sites using high resolution satellite imagery

    NASA Astrophysics Data System (ADS)

    Dujardin, J.; Boel, S.; Anibas, C.; Batelaan, O.; Canters, F.

    2009-04-01

    Countries around the world have problems with contaminated brownfield sites as resulting from a relatively anarchic economical and industrial development during the 19th and 20th centuries. Since a few decades policy makers and stakeholders have become more aware of the risk posed by these sites because some of these sites present direct public hazards. Water is often the main vector of the mobility of contaminants. In order to propose remediation measures for the contaminated sites, it is required to describe and to quantify as accurately as possible the surface and subsurface water fluxes in the polluted site. In this research a modelling approach with integrated remote sensing analysis has been developed for accurately calculating water and contaminant fluxes on the polluted sites. Groundwater pollution in urban environments is linked to patterns of land use, so to identify the sources of contamination with great accuracy in urban environments it is essential to characterize the land cover in a detailed way. The use of high resolution spatial information is required because of the complexity of the urban land use. An object-oriented classification approach applied on high resolution satellite data has been adopted. Cluster separability analysis and visual interpretation of the image objects belonging to each cluster resulted in the selection of 8 land-cover categories (water, bare soil, meadow, mixed forest, grey urban surfaces, red roofs, bright roofs and shadow).To assign the image objects to one of the 8 selected classes a multiple layer perceptron (MLP) approach was adopted, using the NeuralWorks Predict software. After a post-classification shadow removal and a rule-based classification enhancement a kappa-value of 0.86 was obtained. Once the land cover was characterized, the groundwater recharge has been simulated using the spatially distributed WetSpass model and the subsurface water flow was simulated with GMS 6.0 in order to identify and budget the

  14. Ground water and oil field waste sites: a study in Vermilion Parish.

    PubMed

    Rainey, J M; Groves, F D; DeLeon, I R; Joubert, P E

    1990-06-01

    Water samples were obtained from 128 private water wells surrounding eight oil field waste sites in Vermilion Parish. The specimens were analyzed for five heavy metals: barium, arsenic, chromium, lead, and cadmium. Half of the specimens were then analyzed for 16 volatile organic compounds. A blood sample was obtained from healthy adults drinking water from the wells tested for volatile organic compounds and this blood sample was also analyzed for volatile organic compounds. None of the water samples had levels of heavy metals or volatile organic compounds that exceeded the National Primary Drinking Water Standards. Barium levels in excess of 250 parts per billion suggested that styrene, toluene, and chloroform might be present. Blood levels of volatile organic compounds were significantly higher than could be accounted for by water consumption with levels in smokers significantly higher than in nonsmokers. These data suggest that as yet there is no contamination of ground water supplies around these sites. Volatile organic accumulation in humans probably occurs from a respiratory rather than from an oral route. PMID:2362163

  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. 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.

  17. Ground-water effects of the UCG experiments at the Hoe Creek site in northeastern Wyoming

    SciTech Connect

    Mead, S.W.; Wang, F.T.; Stuermer, D.H.

    1981-06-01

    Ground-water changes and subsidence effects associated with three underground coal gasification (UCG) experiments have been monitored at the Hoe Creek site in northeastern Wyoming. Ground-water quality measurements have extended over a period of four years and have been supplemented by laboratory studies of contaminant sorption by coal. It was found that a broad range of residual gasification products are introduced into the ground-water system. These contaminants may be of environmental significance if they find their way, in sufficient concentrations, into surface waters, or into aquifers from which water is extracted for drinking or agricultural purposes. Fortunately, the concentrations of these contaminants are substantially reduced by sorption on the surrounding coal. However, recent field measurements indicate that there may be significant limitations on this natural cleansing process. The contaminants of potential concern, and the mechanisms that affect their deposition and persistence have been identified.

  18. 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

  19. Contaminants in surface water and sediments near the Tynagh silver mine site, County Galway, Ireland.

    PubMed

    O'Neill, A; Phillips, D H; Bowen, J; Sen Gupta, B

    2015-04-15

    A former silver mine in Tynagh, Co. Galway, Ireland is one of the most contaminated mine sites in Europe with maximum concentrations of Zn, As, Pb, Mn, Ni, Cu, and Cd far exceeding guideline values for water and sediment. The aims of this research were to 1) further assess the contamination, particularly metals, in surface water and sediment around the site, and 2) determine if the contamination has increased 10 years after the Environmental Protection Agency Ireland (EPAI) identified off-site contamination. Site pH is alkaline to neutral because CaCO3-rich sediment and rock material buffer the exposed acid generating sulphide-rich ore. When this study was compared to the previous EPAI study conducted 10 years earlier, it appeared that further weathering of exposed surface sediment had increased concentrations of As and other potentially toxic elements. Water samples from the tailings ponds and adjacent Barnacullia Stream had concentrations of Al, Cd, Mn, Zn and Pb above guideline values. Lead and Zn concentrations from the tailings pond sediment were 16 and 5 times higher, respectively, than concentrations reported 10 years earlier. Pb and Zn levels in most sediment samples exceeded the Expert Group (EGS) guidelines of 1000 and 5000 mg/kg, respectively. Arsenic concentrations were as high as 6238 mg/kg in the tailings ponds sediment, which is 62 and 862 times greater than the EGS and Canadian Soil Quality Guidelines (CSQG), respectively. Cadmium, Cu, Fe, Mn, Pb and Zn concentrations in water and sediment were above guideline values downstream of the site. Additionally, Fe, Mn and organic matter (OM) were strongly correlated and correlated to Zn, Pb, As, Cd, Cu and Ni in stream sediment. Therefore, the nearby Barnacullia Stream is also a significant pathway for contaminant transport to downstream areas. Further rehabilitation of the site may decrease the contamination around the area. PMID:25634731

  20. Leaving Group Ability Observably Affects Transition State Structure in a Single Enzyme Active Site.

    PubMed

    Roston, Daniel; Demapan, Darren; Cui, Qiang

    2016-06-15

    A reaction's transition state (TS) structure plays a critical role in determining reactivity and has important implications for the design of catalysts, drugs, and other applications. Here, we explore TS structure in the enzyme alkaline phosphatase using hybrid Quantum Mechanics/Molecular Mechanics simulations. We find that minor perturbations to the substrate have major effects on TS structure and the way the enzyme stabilizes the TS. Substrates with good leaving groups (LGs) have little cleavage of the phosphorus-LG bond at the TS, while substrates with poor LGs have substantial cleavage of that bond. The results predict nonlinear free energy relationships for a single rate-determining step, and substantial differences in kinetic isotope effects for different substrates; both trends were observed in previous experimental studies, although the original interpretations differed from the present model. Moreover, due to different degrees of phosphorus-LG bond cleavage at the TS for different substrates, the LG is stabilized by different interactions at the TS: while a poor LG is directly stabilized by an active site zinc ion, a good LG is mainly stabilized by active site water molecules. Our results demonstrate the considerable plasticity of TS structure and stabilization in enzymes. Furthermore, perturbations to reactivity that probe TS structure experimentally (i.e., substituent effects) may substantially perturb the TS they aim to probe, and thus classical experimental approaches such as free energy relations should be interpreted with care. PMID:27186960

  1. 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. PMID:26114648

  2. 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.

  3. Structural mechanism of RuBisCO activation by carbamylation of the active site lysine

    PubMed Central

    Stec, Boguslaw

    2012-01-01

    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 CO2. We report two crystal structures of nitrosylated RuBisCO from the red algae Galdieria sulphuraria with O2 and CO2 bound at the active site. G. sulphuraria RuBisCO is inhibited by cysteine nitrosylation that results in trapping of these gaseous ligands. The structure with CO2 defines an elusive, preactivation complex that contains a metal cation Mg2+ surrounded by three H2O/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. PMID:23112176

  4. 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

  5. Enzyme activities in the water column and in shallow permeable sediments from the northeastern Gulf of Mexico

    NASA Astrophysics Data System (ADS)

    Arnosti, C.; Ziervogel, K.; Ocampo, L.; Ghobrial, S.

    2009-09-01

    The activities of extracellular enzymes that initiate the microbial remineralization of high molecular weight organic matter were investigated in the water column and sandy surface sediments at two sites in the northeastern Gulf of Mexico. Six fluorescently labeled polysaccharides were hydrolyzed rapidly in the water column as well as in permeable sediments. This result contrasts with previous studies carried out in environments dominated by fine-grained muds, in which the spectrum of enzymes active in the water column is quite limited compared to that of the underlying sediments. Extracts of Spirulina, Isochrysis, and Thalassiosira were also used to measure hydrolysis rates in water from one of the sites. Rates of hydrolysis of the three plankton extracts were comparable to those of the purified polysaccharides. The broad spectrum and rapid rates of hydrolysis observed in the water column at both sites in the northeastern Gulf of Mexico may be due to the permeable nature of the sediments. Fluid flux through the sediments is sufficiently high that the entire 1.5 m deep water column could filter though the sediments on timescales of a few days to two weeks. Movement of water through sediments may also transport dissolved enzymes from the sediment into the water column, enhancing the spectrum as well as the rate of water column enzymatic activities. Such interaction between the sediments and water column would permit water column microbial communities to access high molecular weight substrates that might otherwise remain unavailable as substrates.

  6. Nitrate Water Activities, Science Study Aid No. 4.

    ERIC Educational Resources Information Center

    Agricultural Research Service (USDA), Washington, DC.

    Intended to supplement a regular program, this pamphlet provides background information, related activities, and suggestions for other activities on the subject of nitrate as a water pollutant. Two activities related to plant nutrient pollution, nitrate filtration and measuring mitrate used by plants, are explained in detail, outlining objectives,…

  7. Increased free-water in the substantia nigra of Parkinson’s disease: a single-site and multi-site study

    PubMed Central

    Ofori, E.; Pasternak, O.; Planetta, P.J.; Burciu, R.; Snyder, A.; Febo, M.; Golde, T.E.; Okun, M.S.; Vaillancourt, D.E.

    2014-01-01

    Measures from diffusion magnetic resonance imaging reflect changes in the substantia nigra of Parkinson’s disease. It is the case, however, that partial volume effects from free-water can bias diffusion measurements. The bi-tensor diffusion model was introduced to quantify the contribution of free-water and eliminates its bias on estimations of tissue microstructure. Here, we test the hypothesis that free-water is elevated in the substantia nigra for Parkinson’s disease compared with controls. This hypothesis was tested between large cohorts of Parkinson’s disease and control participants in a single-site study, and validated against a multi-site study using multiple scanners. The fractional volume of free-water was increased in the posterior region of the substantia nigra in Parkinson’s disease compared with controls in both the single-site and multi-site studies. We did not observe changes in either cohort for free-water corrected fractional anisotropy or free-water corrected mean diffusivity. Our findings provide new evidence that the free-water index reflects alteration of the substantia nigra in Parkinson’s disease, and this was evidenced across both single-site and multi-site cohorts. PMID:25467638

  8. 78 FR 33908 - Commercial Wind Lease Issuance and Site Assessment Activities on the Atlantic Outer Continental...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-05

    ... identified Wind Energy Area (WEA) on the OCS offshore Rhode Island (RI) and Massachusetts (MA). The revised... from leasing, site characterization, and site assessment in and around the Call Area (76 FR 51391). The... Bureau of Ocean Energy Management Commercial Wind Lease Issuance and Site Assessment Activities on...

  9. 77 FR 39508 - Commercial Wind Lease Issuance and Site Assessment Activities on the Atlantic Outer Continental...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-03

    ... specific project proposals on those leases) in an identified Wind Energy Area (WEA) on the OCS offshore..., site characterization, and site assessment in and around the Call Area (76 FR 51391). The Call Area is... Bureau of Ocean Energy Management Commercial Wind Lease Issuance and Site Assessment Activities on...

  10. 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.

  11. Contemporary approaches to studying and mapping of active water exchange zone of ground water

    NASA Astrophysics Data System (ADS)

    Moraru, C. Ye

    2016-03-01

    The article deals with a zone of ground water active exchange. New principles of the zone study and mapping under the platform hydrogeological condition are discussed. The assessment and distribution techniques are suggested for the active water exchange zone under the condition of hydrogeological parameterization uncertainty. The efficiency and significance of the suggested techniques are proved using the example of ground water in the southwest of Black Sea artesian basin.

  12. 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)

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. Alteration of natural (37)Ar activity concentration in the subsurface by gas transport and water infiltration.

    PubMed

    Guillon, Sophie; Sun, Yunwei; Purtschert, Roland; Raghoo, Lauren; Pili, Eric; Carrigan, Charles R

    2016-05-01

    High (37)Ar activity concentration in soil gas is proposed as a key evidence for the detection of underground nuclear explosion by the Comprehensive Nuclear Test-Ban Treaty. However, such a detection is challenged by the natural background of (37)Ar in the subsurface, mainly due to Ca activation by cosmic rays. A better understanding and improved capability to predict (37)Ar activity concentration in the subsurface and its spatial and temporal variability is thus required. A numerical model integrating (37)Ar production and transport in the subsurface is developed, including variable soil water content and water infiltration at the surface. A parameterized equation for (37)Ar production in the first 15 m below the surface is studied, taking into account the major production reactions and the moderation effect of soil water content. Using sensitivity analysis and uncertainty quantification, a realistic and comprehensive probability distribution of natural (37)Ar activity concentrations in soil gas is proposed, including the effects of water infiltration. Site location and soil composition are identified as the parameters allowing for a most effective reduction of the possible range of (37)Ar activity concentrations. The influence of soil water content on (37)Ar production is shown to be negligible to first order, while (37)Ar activity concentration in soil gas and its temporal variability appear to be strongly influenced by transient water infiltration events. These results will be used as a basis for practical CTBTO concepts of operation during an OSI. PMID:26939033

  18. A molecular model for adsorption of water on activated carbon: Comparison of simulation and experiment

    SciTech Connect

    McCallum, C.L.; McGrother, S.C.; Bandosz, T.J.; Mueller, E.A.; Gubbins, K.E.

    1999-01-19

    Experimental and molecular simulation results are presented for the adsorption of water onto activated carbons. The pore size distribution for the carbon studied was determined from nitrogen adsorption data using density functional theory, and the density of acidic and basic surface sites was found using Boehm and potentiometric titration. The total surface site density was 0.675 site/nm{sup 2}. Water adsorption was measured for relative pressures P/P{sub 0} down to 10{sup {minus}3}. A new molecular model for the water/activated carbon system is presented, which the authors term the effective single group model, and grand canonical Monte Carlo simulations are reported for the range of pressures covered in the experiments. A comparison of these simulations with the experiments show generally good agreement, although some discrepancies are attributed to the simplification of using a single surface group species, while those at high pressure are believed to arise from uncertainties in the pore size distribution. The simulation results throw new light on the adsorption mechanism for water at low pressures. The influence of varying both the density of surface sites and the size of the graphite microcrystals is studied using molecular simulation.

  19. 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

  20. Blogs and Social Network Sites as Activity Systems: Exploring Adult Informal Learning Process through Activity Theory Framework

    ERIC Educational Resources Information Center

    Heo, Gyeong Mi; Lee, Romee

    2013-01-01

    This paper uses an Activity Theory framework to explore adult user activities and informal learning processes as reflected in their blogs and social network sites (SNS). Using the assumption that a web-based space is an activity system in which learning occurs, typical features of the components were investigated and each activity system then…

  1. Radiological status of the ground water beneath the Hanford Site, January-December 1981

    SciTech Connect

    Eddy, P.A.; Cline, C.S.; Prater, L.S.

    1982-04-01

    During 1981, 299 monitoring wells were sampled at various times for radionuclide chemical contaminants. This report is one of a series prepared annually to document and evaluate the status of ground water at the Hanford Site. Two substances, tritium and nonradioactive nitrate, are easily transported in ground water; therefore, these substances are used as primary tracers to monitor the movement of contaminated ground water. Data collected during 1981 describe the movement of tritium and the nonradioactive nitrate plumes as well as their response to the influences of ground-water flow, ionic dispersion, and radioactive decay. The gross beta (/sup 106/Ru) levels have become so low that it will no longer be considered a major radionuclide contaminant. The tritium plume continues to show increasing concentrations near the Columbia River. While it is mapped as having reached the Columbia River, its contribution to the river has not been distinguished from other sources at this time. This plume shows much the same configuration as in 1977, 1978, 1979, and 1980. The size of the nitrate plume appears stable. Concentrations of nitrate in the vicinity of the 100-H Area continue to be high as a result of past leaks from the evaporation facility. The overall quality of the ground water at the Hanford Site is generally comparable to that of other ground waters in eastern Washington. Any exceptions to this statement will be noted in this report.

  2. 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.

  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. 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.

  5. Momentum, water vapor, and carbon dioxide exchange at a centrally located prairie site during FIFE

    NASA Astrophysics Data System (ADS)

    Verma, Shashi B.; Kim, Joon; Clement, Robert J.

    1992-11-01

    Eddy correlation measurements were made of fluxes of momentum, sensible heat, water vapor, and carbon dioxide at a centrally located plateau site in the FIFE study area during the period from May to October 1987. About 82% of the vegetation at the site was comprised of several C4 grass species (big bluestem, Indian grass, switchgrass, tall dropseed, little bluestem, and blue grama), with the remainder being C3 grasses, sedges, forbs, and woody plants. The prairie was burned in mid-April and was not grazed. Precipitation during the study period was about normal, except for a 3-week dry period in late July to early August, which caused moisture stress conditions. The drag coefficient (Cd=u*2/u¯2, where u* is the friction velocity and ū is the mean wind speed at 2.25 m above the ground) of the prairie vegetation ranged from 0.0087 to 0.0099. The average d/zc and z0/zc (where d is the zero plane displacement, z0 is the roughness parameter, and zc is the canopy height) were estimated to be about 0.71 and 0.028, respectively. Information was developed on the aerodynamic conductance (ga) in terms of mean wind speed (measured at a reference height) for different periods in the growing season. During the early and peak growth stages, with favorable soil moisture, the daily evapotranspiration (ET) rates ranged from 3.9 to 6.6 mm d-1. The ET rate during the dry period was between 2.9 and 3.8 mm d-1. The value of the Priestley-Taylor coefficient (α), calculated as the ratio of the measured ET to the equilibrium ET, averaged around 1.26 when the canopy stomatal resistance (rc) was less than 100 s m-1. When rc increased above 100 s m-1, α decreased rapidly. The atmospheric CO2 flux data (eddy correlation) were used, in conjunction with estimated soil CO2 flux, to evaluate canopy photosynthesis (Pc). The dependence of Pc on photosynthetically active radiation (KPAR), vapor pressure deficit, and soil moisture was examined. Under nonlimiting soil moisture conditions, Pc was

  6. 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.

  7. Activities affecting surface water resources: A general overview

    SciTech Connect

    Not Available

    1990-01-01

    In November 1987, P.E.I. signed a federal/provincial work-sharing arrangement on water resource management focusing on groundwater pollution, surface water degradation and estuarine eutrophication. The surface water program was designed to identify current surface water uses and users within 12 major watersheds across the Island containing 26 individual rivers, as well as problems arising due to practices that degrade the quality of surface water and restricts its value to other user groups. This report presents a general overview of the program, covering the general characteristics of the Island; operations in agriculture, fish and wildlife, forestry, recreation, fisheries, and industry; alterations of natural features of waterways; wetlands; additional watershed activities such as hydrometric stations and subdivision development; and activities affecting surface water resources such as sedimentation sources, pollution point sources and instream obstructions.

  8. Quantifying Deep Vadose Zone Soil Water Potential Changes at a Waste Disposal Site

    SciTech Connect

    Joel M. Hubbell; Deborah L. McElroy

    2007-08-01

    Recent advances in moisture monitoring using tensiometers has resulted in long-duration, high quality data sets from within the deep vadose zone. A network of about 30 advanced tensiometers in 18 wells provided field-scale data to monitor soil water potential conditions and movement in the subsurface in and around a mixed waste disposal site at depths ranging from 6 to over 67 m below land surface (bls). Sensors are located in both sediments and fractured rock within the geologic profile and some have been in operation for over 10 years. The moisture monitoring was able to detect long term declines in soil water potential in response to lower than normal precipitation and resultant infiltration over the time period from 2000 to 2004. This trend was reversed in 2005 and 2006 in more than half of the monitoring sites over the 6 to 33 m depth interval and in several monitoring sites from 33 to 67 m, in response to above normal precipitation. These tensiometer data have the potential to effectively and rapidly validate that a remedial action such as placement of an ET cover would be successful in reducing the water moisture movement inside the disposal area to levels similar to those in undisturbed sites outside of the disposal area. This paper will describe the instrument design, how the instruments were installed, and the resultant data from this monitoring system.

  9. 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

  10. 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.

  11. Active site densities, oxygen activation and adsorbed reactive oxygen in alcohol activation on npAu catalysts.

    PubMed

    Wang, Lu-Cun; Friend, C M; Fushimi, Rebecca; Madix, Robert J

    2016-07-01

    The activation of molecular O2 as well as the reactivity of adsorbed oxygen species is of central importance in aerobic selective oxidation chemistry on Au-based catalysts. Herein, we address the issue of O2 activation on unsupported nanoporous gold (npAu) catalysts by applying a transient pressure technique, a temporal analysis of products (TAP) reactor, to measure the saturation coverage of atomic oxygen, its collisional dissociation probability, the activation barrier for O2 dissociation, and the facility with which adsorbed O species activate methanol, the initial step in the catalytic cycle of esterification. The results from these experiments indicate that molecular O2 dissociation is associated with surface silver, that the density of reactive sites is quite low, that adsorbed oxygen atoms do not spill over from the sites of activation onto the surrounding surface, and that methanol reacts quite facilely with the adsorbed oxygen atoms. In addition, the O species from O2 dissociation exhibits reactivity for the selective oxidation of methanol but not for CO. The TAP experiments also revealed that the surface of the npAu catalyst is saturated with adsorbed O under steady state reaction conditions, at least for the pulse reaction. PMID:27376884

  12. 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

  13. 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

  14. Experimental study of water adsorption on activated carbons

    SciTech Connect

    Salame, I.I.; Bandosz, T.J. |

    1999-01-19

    Two carbons of different origins (wood and coal) were oxidized with nitric acid. The materials were characterized using sorption of nitrogen. Boehm titration, and potentiometric titration. The water adsorption isotherms were measured at various temperatures close to ambient (relative pressure from 0.001 to 0.3). From these isotherms heats of adsorption were calculated using virial equation. The results showed that the isosteric heats of water adsorption are affected by surface chemical heterogeneity only at low surface coverage. The shapes of heats obtained indicate strong water-water interactions as a result of adsorption on secondary sites and cluster formation. In all cases the limiting heat of adsorption equal to the heat of water condensation (45 kJ/mol) was obtained.

  15. Active Site Structure and Peroxidase Activity of Oxidatively Modified Cytochrome c Species in Complexes with Cardiolipin.

    PubMed

    Capdevila, Daiana A; Oviedo Rouco, Santiago; Tomasina, Florencia; Tortora, Verónica; Demicheli, Verónica; Radi, Rafael; Murgida, Daniel H

    2015-12-29

    We report a resonance Raman and UV-vis characterization of the active site structure of oxidatively modified forms of cytochrome c (Cyt-c) free in solution and in complexes with cardiolipin (CL). The studied post-translational modifications of Cyt-c include methionine sulfoxidation and tyrosine nitration, which lead to altered heme axial ligation and increased peroxidase activity with respect to those of the wild-type protein. In spite of the structural and activity differences between the protein variants free in solution, binding to CL liposomes induces in all cases the formation of a spectroscopically identical bis-His axial coordination conformer that more efficiently promotes lipid peroxidation. The spectroscopic results indicate that the bis-His form is in equilibrium with small amounts of high-spin species, thus suggesting a labile distal His ligand as the basis for the CL-induced increase in enzymatic activity observed for all protein variants. For Cyt-c nitrated at Tyr74 and sulfoxidized at Met80, the measured apparent binding affinities for CL are ∼4 times larger than for wild-type Cyt-c. On the basis of these results, we propose that these post-translational modifications may amplify the pro-apoptotic signal of Cyt-c under oxidative stress conditions at CL concentrations lower than for the unmodified protein. PMID:26620444

  16. Polymer optical fiber grating as water activity sensor

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Webb, David J.

    2014-05-01

    Controlling the water content within a product has long been required in the chemical processing, agriculture, food storage, paper manufacturing, semiconductor, pharmaceutical and fuel industries. The limitations of water content measurement as an indicator of safety and quality are attributed to differences in the strength with which water associates with other components in the product. Water activity indicates how tightly water is "bound," structurally or chemically, in products. Water absorption introduces changes in the volume and refractive index of poly(methyl methacrylate) PMMA. Therefore for a grating made in PMMA based optical fiber, its wavelength is an indicator of water absorption and PMMA thus can be used as a water activity sensor. In this work we have investigated the performance of a PMMA based optical fiber grating as a water activity sensor in sugar solution, saline solution and Jet A-1 aviation fuel. Samples of sugar solution with sugar concentration from 0 to 8%, saline solution with concentration from 0 to 22%, and dried (10ppm), ambient (39ppm) and wet (68ppm) aviation fuels were used in experiments. The corresponding water activities are measured as 1.0 to 0.99 for sugar solution, 1.0 to 0.86 for saline solution, and 0.15, 0.57 and 1.0 for the aviation fuel samples. The water content in the measured samples ranges from 100% (pure water) to 10 ppm (dried aviation fuel). The PMMA based optical fiber grating exhibits good sensitivity and consistent response, and Bragg wavelength shifts as large as 3.4 nm when the sensor is transferred from dry fuel to wet fuel.

  17. 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.

  18. 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.

  19. MICROBIOLOGICAL ALTERATIONS IN DISTRIBUTED WATER TREATED WITH GRANULAR ACTIVATED CARBON

    EPA Science Inventory

    The goal of this project was to examine the effect of granular activated carbon (GAC) treatment on the microbiological characteristics of potable water in distribution systems. Data was collected from both field and pilot plant studies. Field monitoring studies from two water tre...

  20. Water Resource Uses and Recreational Activities in Rural Nigeria.

    ERIC Educational Resources Information Center

    Adekoya, Adebola

    1991-01-01

    This study surveys rural Nigerian residents concerning local water resource uses and tourists' recreational activities with respect to scales of awareness, understanding, and incentive. Results indicate a public willingness to encourage and finance the rural development of water bodies for agricultural purposes exclusive of investment for tourism…

  1. Assessing the fate of dredged sediments placed in open-water sites, Northern Chesapeake Bay

    USGS Publications Warehouse

    Halka, Jeffrey; Panageotou, William; Sanford, Lawrence; Yu-Chou, Shenn

    1994-01-01

    An integrated series of field studies and experiments have been carried out on dredged sediments placed in open water sites in Northern Chesapeake Bay. The studies include: (1) examination of the potential for fluidized sediment flow, (2) quantifying the volumetric changes that the sediments undergo during dredging process and subsequent to deposition, (3) estimating parameters for cohesive sediment erosion models from field data on currents and suspended sediment concentrations, and (4) incorporating the erosion model parameters and sediment transport equation into a 3-D hydrodynamic model for the upper Chesapeake Bay to predict transport directions and setting sites of eroded sediments under a variety of seasonal weather and river flow conditions.

  2. Momentum, water vapor, and carbon dioxide exchange at a centrally located prairie site during FIFE

    NASA Technical Reports Server (NTRS)

    Verma, Shashi B.; Kim, Joon; Clement, Robert J.

    1992-01-01

    Eddy correlation measurements were taken of momentum, water vapor, sensible heat, and CO2 at a centrally located plateau site in the FIFE study area from May to October 1987. Approximately 82 percent of the vegetation at the site was composed of several C4 grass species, with the remainder being C3 grasses, forbs, wedges, and woody plants. Precipitation was about normal during the study period, except for a three week dry period in late July to early August that caused moisture stress conditions.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. Ultrafast ligand binding dynamics in the active site of native bacterial nitric oxide reductase.

    PubMed

    Kapetanaki, Sofia M; Field, Sarah J; Hughes, Ross J L; Watmough, Nicholas J; Liebl, Ursula; Vos, Marten H

    2008-01-01

    The active site of nitric oxide reductase from Paracoccus denitrificans contains heme and non-heme iron and is evolutionarily related to heme-copper oxidases. The CO and NO dynamics in the active site were investigated using ultrafast transient absorption spectroscopy. We find that, upon photodissociation from the active site heme, 20% of the CO rebinds in 170 ps, suggesting that not all the CO transiently binds to the non-heme iron. The remaining 80% does not rebind within 4 ns and likely migrates out of the active site without transient binding to the non-heme iron. Rebinding of NO to ferrous heme takes place in approximately 13 ps. Our results reveal that heme-ligand recombination in this enzyme is considerably faster than in heme-copper oxidases and are consistent with a more confined configuration of the active site. PMID:18420024

  8. 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

  9. Towards Fast In-line Measurement of Water Activity

    NASA Astrophysics Data System (ADS)

    Nielsen, J.; Andreasen, M. B.; Pedersen, M.; Rasmussen, M. K.

    2015-03-01

    Water activity is widely used as a key parameter in controlling the quality of food and feed products, among others. For determining the water activity, the material is sampled from the manufacturing process and measured in the laboratory with water activity analyzers. The sampling procedure can lead to non-representative measurements, the measurement process is time consuming, and much of the produced material may be wasted before the measurement results are available. To reduce waste and to be able to optimize production processes, industry requires in-line measurement of relevant quality determining parameters, hereunder the water activity. In cooperation with a manufacturer of systems for automatic in-line sampling and measurement of moisture, density, and the size of items, a project was defined to also enable the manufacturer's existing products to perform automatic measurement of the water activity in a sample. The aim was to develop a measurement system with the ability to operate in an industrial environment, which in the end would increase the measurement speed significantly and minimize the problems related to the handling of samples. In the paper the selection and characterization of the sensors, the design of a measurement chamber, and various issues of modeling and methods to reduce measurement time are discussed. The paper also presents water activity measurements obtained from food and feed products with the system, and shows that reliable results can be obtained in a few minutes with a proper design of the measurement chamber and selection of a model.

  10. Determining return water levels at ungauged coastal sites: a case study for northern Germany

    NASA Astrophysics Data System (ADS)

    Arns, Arne; Wahl, Thomas; Haigh, Ivan D.; Jensen, Jürgen

    2015-04-01

    We estimate return periods and levels of extreme still water levels for the highly vulnerable and historically and culturally important small marsh islands known as the Halligen, located in the Wadden Sea offshore of the coast of northern Germany. This is a challenging task as only few water level records are available for this region, and they are currently too short to apply traditional extreme value analysis methods. Therefore, we use the Regional Frequency Analysis (RFA) approach. This originates from hydrology but has been used before in several coastal studies and is also currently applied by the local federal administration responsible for coastal protection in the study area. The RFA enables us to indirectly estimate return levels by transferring hydrological information from gauged to related ungauged sites. Our analyses highlight that this methodology has some drawbacks and may over- or underestimate return levels compared to direct analyses using station data. To overcome these issues, we present an alternative approach, combining numerical and statistical models. First, we produced a numerical multidecadal model hindcast of water levels for the entire North Sea. Predicted water levels from the hindcast are bias corrected using the information from the available tide gauge records. Hence, the simulated water levels agree well with the measured water levels at gauged sites. The bias correction is then interpolated spatially to obtain correction functions for the simulated water levels at each coastal and island model grid point in the study area. Using a recommended procedure to conduct extreme value analyses from a companion study, return water levels suitable for coastal infrastructure design are estimated continuously along the entire coastline of the study area, including the offshore islands. A similar methodology can be applied in other regions of the world where tide gauge observations are sparse.

  11. 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

  12. 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

    2015-04-01

    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. PMID:25600031

  13. 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.

  14. Combination of in situ preconcentration and on-site analysis for phosphate monitoring in fresh waters.

    PubMed

    Li, Weijia; Lee, Lai Yoke; Yung, Lin Yue Lanry; He, Yiliang; Ong, Choon Nam

    2014-08-01

    Excess nutrients of phosphorus and nitrogen would lead to adverse impacts on a water body. It is important that their concentrations in a dynamic water ecosystem are measured accurately and constantly for an early warning before occurrences of algal blooms and for environmental management. Nevertheless, on-site measurements by existing technologies are often limited by the inherent sensitivities. In this study, a portable system for dissolved phosphate monitoring in freshwater based on the diffusive gradients in thin films (DGT) technique was developed. A polydiallydimethylammonium chloride (PDA) aqueous solution and a dialysis membrane were used as a binding phase and a diffusive layer in this preconcentration device, respectively. The binding properties of the PDA solution were evaluated in solutions of different pH (3 to 9) and varying concentrations of anions (2.0-20 mM). The amount of phosphates preconcentrated in the devices was measured by ultraviolet-visible (UV) spectroscopy to obtain the concentrations in waters without elution steps. The devices were validated in synthetic river water with good agreement with the theoretical prediction and in natural river water. A system combining this preconcentration device and a compact detection chamber equipped with a pair of light emitting diodes (LED) was studied in lab synthetic solutions for on-site monitoring of phosphate concentrations and their fluctuations. PMID:25011428

  15. 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.

  16. Six-site polarizable model of water based on the classical Drude oscillator

    PubMed Central

    Yu, Wenbo; Lopes, Pedro E. M.; Roux, Benoît; MacKerell, Alexander D.

    2013-01-01

    A polarizable water model, SWM6, was developed and optimized for liquid phase simulations under ambient conditions. Building upon the previously developed SWM4-NDP model, additional sites representing oxygen lone-pairs were introduced. The geometry of the sites is assumed to be rigid. Considering the large number of adjustable parameters, simulated annealing together with polynomial fitting was used to facilitate model optimization. The new water model was shown to yield the correct self-diffusion coefficient after taking the system size effect into account, and the dimer geometry is better reproduced than in the SWM4 models. Moreover, the experimental oxygen-oxygen radial distribution is better reproduced, indicating that the new model more accurately describes the local hydrogen bonding structure of bulk phase water. This was further validated by its ability to reproduce the experimental nuclear magnetic shielding and related chemical shift of the water hydrogen in the bulk phase, a property sensitive to the local hydrogen bonding structure. In addition, comparison of the liquid properties of the SWM6 model is made with those of a number of widely used additive and polarizable models. Overall, improved balance between the description of monomer, dimer, clustered, and bulk phase water is obtained with the new model compared to its SWM4-NDP polarizable predecessor, though application of the model requires an approximately twofold increase on computational resources. PMID:23343286

  17. Detector analysis for shallow water active sonar

    NASA Astrophysics Data System (ADS)

    Pastore, Thomas J.; Phillips, Michael E.

    2002-11-01

    SPAWAR Systems Center-San Diego, in concert with the Office of Naval Research (ONR) and Defense Advanced Research Projects Agency (DARPA) has designed and built a proof-of-concept broadband biomimetic sonar. This proof-of-concept sonar emulates a dolphin biosonar system; emitted broadband signals approximate the frequency and time domain characteristics of signals produced by echolocating dolphins, the receive system is spatially modeled after the binaural geometry of the dolphin, and signal processing algorithms incorporate sequential integration of aspect varying returns. As with any sonar, object detection in shallow water while maintaining an acceptable false alarm rate is an important problem. A comprehensive parametric analysis of detection algorithms is presented, focusing primarily on two detector strategies: a matched filter and a spectral detector. The spectral detector compares the ratio of in-band to out-of-band power, and thus functions something like a phase-incoherent matched filter. This computationally efficient detector is shown to perform well with high proportional bandwidth signals. The detector (either matched filter or spectral) is coupled with an alpha-beta tracker which maintains a running noise estimate and calculates signal excess above the estimated noise level which is compared to a fixed threshold.

  18. Continuous Water Vapor Profiles for the Fixed Atmospheric Radiation Measurement Sites

    SciTech Connect

    Jensen, M.; Troyan, D.

    2006-01-09

    The Atmospheric Radiation Measurement (ARM) Program defined a specific metric for the first quarter of Fiscal Year 2006 to complete a continuous time series of the vertical profile of water vapor for selected 30-day periods from each of the fixed ARM sites. In order to accomplish this metric, a new technique devised to incorporate radiosonde data, microwave radiometer data and analysis information from numerical weather forecast models has been developed. The product of this analysis, referred to as the merged sounding value-added product, includes vertical profiles of atmospheric water vapor concentration and several other important thermodynamic state variables at 1-minute time intervals and 266 vertical levels.

  19. Phosphorylation regulates the water channel activity of the seed-specific aquaporin alpha-TIP.

    PubMed

    Maurel, C; Kado, R T; Guern, J; Chrispeels, M J

    1995-07-01

    The vacuolar membrane protein alpha-TIP is a seed-specific protein of the Major Intrinsic Protein family. Expression of alpha-TIP in Xenopus oocytes conferred a 4- to 8-fold increase in the osmotic water permeability (Pf) of the oocyte plasma membrane, showing that alpha-TIP forms water channels and is thus a new aquaporin. alpha-TIP has three putative phosphorylation sites on the cytoplasmic side of the membrane (Ser7, Ser23 and Ser99), one of which (Ser7) has been shown to be phosphorylated. We present several lines of evidence that the activity of this aquaporin is regulated by phosphorylation. First, mutation of the putative phosphorylation sites in alpha-TIP (Ser7Ala, Ser23Ala and Ser99Ala) reduced the apparent water transport activity of alpha-TIP in oocytes, suggesting that phosphorylation of alpha-TIP occurs in the oocytes and participates in the control of water channel activity. Second, exposure of oocytes to the cAMP agonists 8-bromoadenosine 3',5'-cyclic monophosphate, forskolin and 3-isobutyl-1-methylxanthine, which stimulate endogenous protein kinase A (PKA), increased the water transport activity of alpha-TIP by 80-100% after 60 min. That the protein can be phosphorylated by PKA was demonstrated by phosphorylating alpha-TIP in isolated oocyte membranes with the bovine PKA catalytic subunit. Third, the integrity of the three sites at positions 7, 23 and 99 was necessary for the cAMP-dependent increase in the Pf of oocytes expressing alpha-TIP, as well as for in vitro phosphorylation of alpha-TIP. These findings demonstrate that the alpha-TIP water channel can be modulated via phosphorylation of Ser7, Ser23 and Ser99.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7542585

  20. 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. PMID:22773082

  1. Biogeochemical Process Comparison of the Five USGS Water, Energy, and Biogeochemical Budget (WEBB) Sites

    NASA Astrophysics Data System (ADS)

    Shanley, J. B.; Peters, N. E.; Aulenbach, B. T.; Blum, A. E.; Campbell, D. H.; Clow, D. W.; Larsen, M. C.; Mast, M. A.; Stallard, R. F.; Troester, J. W.; Walker, J. F.; Webb, R. M.; White, A. F.

    2001-12-01

    Input - output budgets (in wet deposition and streamwater) have been constructed for water and major solutes at the five USGS Water, Energy, and Biogeochemical Budget (WEBB) sites for the period 1992-97 (Peters et al., 2000). In this poster we interpret the net chemical fluxes to identify the controlling biogeochemical processes, as influenced by the strong physical and biological contrasts (climate, geology, physiography, and vegetation types) in the five diverse environments. The five sites are: Allequash Creek, Wisconsin (low-relief humid continental forest); Andrews Creek, Colorado (cold alpine, taiga/tundra, and subalpine boreal forest); Icacos River, Puerto Rico (lower montane, wet tropical forest); Panola Mountain, Georgia (humid subtropical piedmont forest); and Sleepers River, Vermont (humid northern hardwood forest). Base cations and Si produced by chemical weathering display