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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. Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces.

    PubMed

    Haider, Kamran; Wickstrom, Lauren; Ramsey, Steven; Gilson, Michael K; Kurtzman, Tom

    2016-09-01

    The principles underlying water reorganization around simple nonpolar solutes are well understood and provide the framework for the classical hydrophobic effect, whereby water molecules structure themselves around solutes so that they maintain favorable energetic contacts with both the solute and the other water molecules. However, for certain solute surface topographies, water molecules, due to their geometry and size, are unable to simultaneously maintain favorable energetic contacts with both the surface and neighboring water molecules. In this study, we analyze the solvation of ligand-binding sites for six structurally diverse proteins using hydration site analysis and measures of local water structure, in order to identify surfaces at which water molecules are unable to structure themselves in a way that maintains favorable enthalpy relative to bulk water. These surfaces are characterized by a high degree of enclosure, weak solute-water interactions, and surface constraints that induce unfavorable pair interactions between neighboring water molecules. Additionally, we find that the solvation of charged side chains in an active site generally results in favorable enthalpy but can also lead to pair interactions between neighboring water molecules that are significantly unfavorable relative to bulk water. We find that frustrated local structure can occur not only in apolar and weakly polar pockets, where overall enthalpy tends to be unfavorable, but also in charged pockets, where overall water enthalpy tends to be favorable. The characterization of local water structure in these terms may prove useful for evaluating the displacement of water from diverse protein active-site environments.

  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. 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

  9. 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.

  10. 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

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

    PubMed

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

    2009-10-01

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

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

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

    PubMed

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

    2011-07-15

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

  18. 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

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

    PubMed Central

    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.

    2010-01-01

    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 ϵ-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 ϵ-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 ϵ-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. PMID:20675860

  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.

  2. 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

  3. Detection of a water molecule in the active-site of bacteriorhodopsin: hydrogen bonding changes during the primary photoreaction.

    PubMed

    Fischer, W B; Sonar, S; Marti, T; Khorana, H G; Rothschild, K J

    1994-11-01

    FTIR-difference spectroscopy in combination with site-directed mutagenesis has been used to investigate the role of water during the photocycle of bacteriorhodopsin. At least one water molecule is detected which undergoes an increase in H-bonding during the primary bR-->K phototransition. Bands due to water appear in the OH stretch region of the bR-->K FTIR-difference spectrum which downshift by approximately 12 cm-1 when the sample is hydrated with H2(18)O. In contrast to 2H2O, the H2(18)O-induced shift is not complete, even after 24 h of hydration. This indicates that even though water is still able to exchange protons with the outside medium, it is partially trapped in the interior of the protein. In the mutant Y57D, these bands are absent while a new set of bands appear at much lower frequencies which undergo H2(18)O-induced shifts. It is concluded that the water molecule we detect is located inside the bR active-site and may interact with Tyr-57. The change in its hydrogen-bonding strength is most likely due to the photoinduced all-trans-->13-cis isomerization of the retinal chromophore and the associated movement of the positively charged Schiff base during the bR-->K transition. In contrast, a second water molecule, whose infrared difference bands are not affected by the Y57D mutation, appears to undergo a decrease in hydrogen bonding during the K-->L and L-->M transitions.

  4. 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.

  5. 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

  6. 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.

  7. 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

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

    NASA Astrophysics Data System (ADS)

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

    2011-09-01

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

  9. The depletion and regeneration of dissolution-active sites at the mineral-water interface: II. regeneration of active sites on α-Fe 2O 3 at pH 3 and pH 6

    NASA Astrophysics Data System (ADS)

    Samson, Sherry D.; Eggleston, Carrick M.

    2000-11-01

    Periods of transient nonsteady state dissolution can contain much information about dissolution mechanisms. Here, pH-jump-induced dissolution transients are used to explore the kinetics of production, at pH 3 and pH 6, of α-Fe 2O 3 surface sites active for dissolution at pH 1. We find that such sites are generated in a matter of minutes or less at higher pH. The steady state dissolution rate of hematite at pH 1 is ≤10.7 pmol m -2 s -1, whereas the rate of active site production at pH 6 in the first 30 min. of aging is at least 119 pmol m -2 s -1. Apparently, active sites are produced relatively slowly at low pH and relatively rapidly at circumneutral pH, despite the fact that dissolution rates are near a minimum at circumneutral pH. Using aqueous water exchange rates as a proxy for surface ligand exchange rates, this is qualitatively consistent with relatively slow water exchange by aqueous Fe 3+ ions at low pH and relatively rapid water exchange by Fe 3+ hydrolysis products (e.g., Fe(OH) 2+) at circumneutral pH. Consequently, the highest overall dissolution rates are achieved not at steady state at low pH, but by cycling between neutral and low pH. Our results call into question the assumption that oxide mineral surfaces, particularly those of iron and aluminum oxides, are inert on the time scale of proton or ligand adsorption (e.g., during the acid-base titrations typically used to measure oxide surface charge due to proton adsorption).

  10. 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)

  11. 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.

  12. 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

  13. 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)

  14. HYSCORE Analysis of the Effects of Substrates on Coordination of Water to the Active Site Iron in Tyrosine Hydroxylase.

    PubMed

    McCracken, John; Eser, Bekir E; Mannikko, Donald; Krzyaniak, Matthew D; Fitzpatrick, Paul F

    2015-06-23

    Tyrosine hydroxylase is a mononuclear non-heme iron monooxygenase found in the central nervous system that catalyzes the hydroxylation of tyrosine to yield L-3,4-dihydroxyphenylalanine, the rate-limiting step in the biosynthesis of catecholamine neurotransmitters. Catalysis requires the binding of tyrosine, a tetrahydropterin, and O₂ at an active site that consists of a ferrous ion coordinated facially by the side chains of two histidines and a glutamate. We used nitric oxide as a surrogate for O₂ to poise the active site iron in an S = ³/₂ {FeNO}⁷ form that is amenable to electron paramagnetic resonance (EPR) spectroscopy. The pulsed EPR method of hyperfine sublevel correlation (HYSCORE) spectroscopy was then used to probe the ligands at the remaining labile coordination sites on iron. For the complex formed by the addition of tyrosine and nitric oxide, TyrH/NO/Tyr, orientation-selective HYSCORE studies provided evidence of the coordination of one H₂O molecule characterized by proton isotropic hyperfine couplings (A(iso) = 0.0 ± 0.3 MHz) and dipolar couplings (T = 4.4 and 4.5 ± 0.2 MHz). These data show complex HYSCORE cross peak contours that required the addition of a third coupled proton, characterized by an A(iso) of 2.0 MHz and a T of 3.8 MHz, to the analysis. This proton hyperfine coupling differed from those measured previously for H₂O bound to {FeNO}⁷ model complexes and was assigned to a hydroxide ligand. For the complex formed by the addition of tyrosine, 6-methyltetrahydropterin, and NO, TyrH/NO/Tyr/6-MPH₄, the HYSCORE cross peaks attributed to H₂O and OH⁻ for the TyrH/NO/Tyr complex were replaced by a cross peak due to a single proton characterized by an A(iso) of 0.0 MHz and a dipolar coupling (T = 3.8 MHz). This interaction was assigned to the N₅ proton of the reduced pterin.

  15. 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.

  16. Xalpha-DVM investigation of double water molecule interactions with active sites of alpha- and beta-subunits of hemoglobin

    NASA Astrophysics Data System (ADS)

    Yuryeva, Elmira I.

    In this work, the results of Xalpha-discrete variation method calculations of the electronic structure and interatomic parameters of chemical bonding between iron (II) and oxygen molecule with and without extra electrons and protons in active site (AS) of alpha- and beta-subunits of oxyhemoglobin are presented. The Skulachev model of O2 molecule existing in respiration medium in the 2H2O form was used. The introduction of extra electrons does not change considerably the interaction of the iron atom with the O2 oxygen molecule, but strengthens the repulsion in the Fe bond N bonds. In this case, the estimated effective charge of the iron atom is +1.8/1.5e for AS of alpha-/beta-subunits of oxyhemoglobin, and the magnetic moment of iron atoms becomes zero. The deoxygenation effect of the AS of the alpha- and beta-subunits of oxyhemoglobin is due to the ability of extra protons to break down covalent attraction between the iron atom and the nearest oxygen atom and also to weakening of the repulsive component of the covalent Fe bond N interactions.

  17. 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

  18. Hanford Site ground-water surveillance for 1989

    SciTech Connect

    Evans, J.C.; Bryce, R.W.; Bates, D.J.; Kemner, M.L.

    1990-06-01

    This annual report of ground-water surveillance activities provides discussions and listings of results for ground-water monitoring at the Hanford Site during 1989. The Pacific Northwest Laboratory (PNL) assesses the impacts of Hanford operations on the environment for the US Department of Energy (DOE). The impact Hanford operations has on ground water is evaluated through the Hanford Site Ground-Water Surveillance program. Five hundred and sixty-seven wells were sampled during 1989 for Hanford ground-water monitoring activities. This report contains a listing of analytical results for calendar year (CY) 1989 for species of importance as potential contaminants. 30 refs., 29 figs,. 4 tabs.

  19. 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.

  20. Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network*

    PubMed Central

    Xu, Shu; Hermanson, Daniel J.; Banerjee, Surajit; Ghebreselasie, Kebreab; Clayton, Gina M.; Garavito, R. Michael; Marnett, Lawrence J.

    2014-01-01

    Oxicams are widely used nonsteroidal anti-inflammatory drugs (NSAIDs), but little is known about the molecular basis of the interaction with their target enzymes, the cyclooxygenases (COX). Isoxicam is a nonselective inhibitor of COX-1 and COX-2 whereas meloxicam displays some selectivity for COX-2. Here we report crystal complexes of COX-2 with isoxicam and meloxicam at 2.0 and 2.45 angstroms, respectively, and a crystal complex of COX-1 with meloxicam at 2.4 angstroms. These structures reveal that the oxicams bind to the active site of COX-2 using a binding pose not seen with other NSAIDs through two highly coordinated water molecules. The 4-hydroxyl group on the thiazine ring partners with Ser-530 via hydrogen bonding, and the heteroatom of the carboxamide ring of the oxicam scaffold interacts with Tyr-385 and Ser-530 through a highly coordinated water molecule. The nitrogen atom of the thiazine and the oxygen atom of the carboxamide bind to Arg-120 and Tyr-355 via another highly ordered water molecule. The rotation of Leu-531 in the structure opens a novel binding pocket, which is not utilized for the binding of other NSAIDs. In addition, a detailed study of meloxicam·COX-2 interactions revealed that mutation of Val-434 to Ile significantly reduces inhibition by meloxicam due to subtle changes around Phe-518, giving rise to the preferential inhibition of COX-2 over COX-1. PMID:24425867

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

    PubMed

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

    2016-01-01

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

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

    PubMed

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

    2016-01-01

    A sensitive field-portable fluorimeter with incubating capability and triplicate sample chambers was designed and built. The system was optimised for the on-site analysis of E. coli in recreational waters using fluorescent based enzyme assays. The target analyte was β-D-Glucuronidase (GUS) which hydrolyses a synthetic substrate 6-Chloro-4-Methyl-Umbelliferyl-β-D-Glucuronide (6-CMUG) to release the fluorescent molecule 6-Chloro-4-Methyl-Umbelliferyl (6-CMU). The system was calibrated with 6-CMU standards. A LOD of 5 nM and a resolution of less than 1 nM was determined while enzyme kinetic tests showed detection of activities below 1 pmol min(-1) mL(-1) of sample. A field portable sample preparation, enzyme extraction protocol and continuous assay were applied with the system to analyse freshwater and marine samples. Results from a one day field trial are shown which demonstrated the ability of the system to deliver results on-site within a 75 min period. PMID:26653426

  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. Active Sites Environmental Monitoring Program: Action levels

    SciTech Connect

    Ashwood, J.S.; Ashwood, T.L.

    1991-10-01

    The Active Sites Environmental Monitoring Program (ASEMP) was established at Oak Ridge National Laboratory to provide for early leak detection and to monitor performance of the active low-level waste disposal facilities in Solid Waste Storage Area (SWSA) 6 and the transuranic waste storage areas in SWSA 5 North. Early leak detection is accomplished by sampling runoff, groundwater, and perched water in burial trenches. Sample results are compared to action levels that represent background contamination by naturally occurring and fallout-derived radionuclides. 15 refs., 3 figs., 12 tabs.

  5. Quantum mechanics/molecular mechanics investigation of the chemical reaction in Dpo4 reveals water-dependent pathways and requirements for active site reorganization.

    PubMed

    Wang, Yanli; Schlick, Tamar

    2008-10-01

    The nucleotidyl-transfer reaction coupled with the conformational transitions in DNA polymerases is critical for maintaining the fidelity and efficiency of DNA synthesis. We examine here the possible reaction pathways of a Y-family DNA polymerase, Sulfolobus solfataricus DNA polymerase IV (Dpo4), for the correct insertion of dCTP opposite 8-oxoguanine using the quantum mechanics/molecular mechanics (QM/MM) approach, both from a chemistry-competent state and a crystal closed state. The latter examination is important for understanding pre-chemistry barriers to interpret the entire enzyme mechanism, since the crystal closed state is not an ideal state for initiating the chemical reaction. The most favorable reaction path involves initial deprotonation of O3'H via two bridging water molecules to O1A, overcoming an overall potential energy barrier of approximately 20.0 kcal/mol. The proton on O1A-P(alpha) then migrates to the gamma-phosphate oxygen of the incoming nucleotide as O3' attacks P(alpha), and the P(alpha)-O3A bond breaks. The other possible pathway in which the O3'H proton is transferred directly to O1A on P(alpha) has an overall energy barrier of 25.0 kcal/mol. In both reaction paths, the rate-limiting step is the initial deprotonation, and the trigonal-bipyramidal configuration for P(alpha) occurs during the concerted bond formation (O3'-P(alpha)) and breaking (P(alpha)-O3A), indicating the associative nature of the chemical reaction. In contrast, the Dpo4/DNA complex with an imperfect active-site geometry corresponding to the crystal state must overcome a much higher activation energy barrier (29.0 kcal/mol) to achieve a tightly organized site due to hindered O3'H deprotonation stemming from larger distances and distorted conformation of the proton acceptors. This significant difference demonstrates that the pre-chemistry reorganization in Dpo4 costs approximately 4.0 to 9.0 kcal/mol depending on the primer terminus environment. Compared to the higher

  6. Nevada test site water-supply wells

    SciTech Connect

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

    1996-05-01

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

  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. Characterization of active sites in zeolite catalysts

    SciTech Connect

    Eckert, J.; Bug, A.; Nicol, J.M.

    1997-11-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Atomic-level details of the interaction of adsorbed molecules with active sites in catalysts are urgently needed to facilitate development of more effective and/or environmentally benign catalysts. To this end the authors have carried out neutron scattering studies combined with theoretical calculations of the dynamics of small molecules inside the cavities of zeolite catalysts. The authors have developed the use of H{sub 2} as a probe of adsorption sites by observing the hindered rotations of the adsorbed H{sub 2} molecule, and they were able to show that an area near the four-rings is the most likely adsorption site for H{sub 2} in zeolite A while adsorption of H{sub 2} near cations located on six-ring sites decreases in strength as Ni {approximately} Co > Ca > Zn {approximately} Na. Vibrational and rotational motions of ethylene and cyclopropane adsorption complexes were used as a measure for zeolite-adsorbate interactions. Preliminary studies of the binding of water, ammonia, and methylamines were carried out in a number of related guest-host materials.

  12. 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.

  13. 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

  14. 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).

  15. Utilizing the fluidized bed to initiate water treatment on site

    SciTech Connect

    Ahmadvand, H.; Germann, G.; Gandee, J.P.; Buehler, V.T.

    1995-12-31

    Escalating wastewater disposal costs coupled with enforcement of stricter regulations push industrial sites previously without water treatment to treat on site. These sites, inexperienced in water treatment, require a treatment technology that is easily installed, operated, and maintained. The aerobic granular activated carbon (GAC) fluidized bed incorporates biological and adsorptive technologies into a simple, cost-effective process capable of meeting strict effluent requirements. Two case studies at industrial sites illustrate the installation and operation of the fluidized bed and emphasize the ability to use the fluidized bed singularly or as an integral component of a treatment system capable of achieving treatment levels that allow surface discharge and reinjection. Attention is focused on BTEX (benzene, toluene, ethylbenzene, and xylenes).

  16. FTIR studies of metal ligands, networks of hydrogen bonds, and water molecules near the active site Mn₄CaO₅ cluster in Photosystem II.

    PubMed

    Debus, Richard J

    2015-01-01

    The photosynthetic conversion of water to molecular oxygen is catalyzed by the Mn₄CaO₅ cluster in Photosystem II and provides nearly our entire supply of atmospheric oxygen. The Mn₄CaO₅ cluster accumulates oxidizing equivalents in response to light-driven photochemical events within Photosystem II and then oxidizes two molecules of water to oxygen. The Mn₄CaO₅ cluster converts water to oxygen much more efficiently than any synthetic catalyst because its protein environment carefully controls the cluster's reactivity at each step in its catalytic cycle. This control is achieved by precise choreography of the proton and electron transfer reactions associated with water oxidation and by careful management of substrate (water) access and proton egress. This review describes the FTIR studies undertaken over the past two decades to identify the amino acid residues that are responsible for this control and to determine the role of each. In particular, this review describes the FTIR studies undertaken to characterize the influence of the cluster's metal ligands on its activity, to delineate the proton egress pathways that link the Mn₄CaO₅ cluster with the thylakoid lumen, and to characterize the influence of specific residues on the water molecules that serve as substrate or as participants in the networks of hydrogen bonds that make up the water access and proton egress pathways. This information will improve our understanding of water oxidation by the Mn₄CaO₅ catalyst in Photosystem II and will provide insight into the design of new generations of synthetic catalysts that convert sunlight into useful forms of storable energy. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems. PMID:25038513

  17. 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.

  18. 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

  19. General database for ground water site information.

    PubMed

    de Dreuzy, Jean-Raynald; Bodin, Jacques; Le Grand, Hervé; Davy, Philippe; Boulanger, Damien; Battais, Annick; Bour, Olivier; Gouze, Philippe; Porel, Gilles

    2006-01-01

    In most cases, analysis and modeling of flow and transport dynamics in ground water systems require long-term, high-quality, and multisource data sets. This paper discusses the structure of a multisite database (the H+ database) developed within the scope of the ERO program (French Environmental Research Observatory, http://www.ore.fr). The database provides an interface between field experimentalists and modelers, which can be used on a daily basis. The database structure enables the storage of a large number of data and data types collected from a given site or multiple-site network. The database is well suited to the integration, backup, and retrieval of data for flow and transport modeling in heterogeneous aquifers. It relies on the definition of standards and uses a templated structure, such that any type of geolocalized data obtained from wells, hydrological stations, and meteorological stations can be handled. New types of platforms other than wells, hydrological stations, and meteorological stations, and new types of experiments and/or parameters could easily be added without modifying the database structure. Thus, we propose that the database structure could be used as a template for designing databases for complex sites. An example application is the H+ database, which gathers data collected from a network of hydrogeological sites associated with the French Environmental Research Observatory.

  20. Quantum chemical tests of water-water potential for interaction site water models.

    PubMed

    Huš, Matej; Urbič, Tomaž

    2012-09-01

    Accuracy of different simple interaction site water models was tested. Instead of assessing their quality through the calculations of various water physical properties (dipole moment, dielectric constant, phase-equilibria diagrams, etc.) and comparison with experimental values, we calculated water-water potential and compared it with the potential from quantum chemical calculations. Using density functional theory (DFT) water-water potential was calculated for different positions of two water molecules, which was compared with the interaction used in water models. Different simple interaction site water models were then evaluated and assessed. Special emphasis is placed on angle and distance dependence of water-water potential around minima in the potential. Among three-, four-and five-site electrostatic water models, TIP3P, TIP4P/2005 and TIP5P were found to be the most accurate.

  1. Mutations of fumarase that distinguish between the active site and a nearby dicarboxylic acid binding site.

    PubMed Central

    Weaver, T.; Lees, M.; Banaszak, L.

    1997-01-01

    Two mutant forms of fumarase C from E. coli have been made using PCR and recombinant DNA. The recombinant form of the protein included a histidine arm on the C-terminal facilitating purification. Based on earlier studies, two different carboxylic acid binding sites, labeled A- and B-, were observed in crystal structures of the wild type and inhibited forms of the enzyme. A histidine at each of the sites was mutated to an asparagine. H188N at the A-site resulted in a large decrease in specific activity, while the H129N mutation at the B-site had essentially no effect. From the results, we conclude that the A-site is indeed the active site, and a dual role for H188 as a potential catalytic base is proposed. Crystal structures of the two mutant proteins produced some unexpected results. Both mutations reduced the affinity for the carboxylic acids at their respective sites. The H129N mutant should be particularly useful in future kinetic studies because it sterically blocks the B-site with the carboxyamide of asparagine assuming the position of the ligand's carboxylate. In the H188N mutation at the active site, the new asparagine side chain still interacts with an active site water that appears to have moved slightly as a result of the mutation. PMID:9098893

  2. 7. SITE BUILDING 022 WATER SUPPLY TANK VIEW ...

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

    7. SITE BUILDING 022 - WATER SUPPLY TANK - VIEW IS LOOKING NORTH AT WATER TOWERS AND DIRECTLY AT SITE ENTRY GATE. - Cape Cod Air Station, Massachusetts Military Reservation, Sandwich, Barnstable County, MA

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

    USGS Publications Warehouse

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

    1988-01-01

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

  4. Ground water contamination from creosote sites

    SciTech Connect

    Kiilerich, O.; Arvin, E.

    1996-05-01

    Field data from 44 waste sites contaminated with creosote have been compiled in a database. The data from each site included geological and hydrogeological parameters and the concentrations of creosote compounds in the ground water at various distances from the pollution sources. The creosote compounds that were measured included mononuclear aromatic hydrocarbons and polynuclear aromatic hydrocarbons (PAH) and phenols. Already 50 m down-gradient of the creosote waste sites, 90% of the concentrations were from three to 50 times lower than at the source, and most of the median concentrations were below detection limit (0.1 to 0.5 {micro}g/L). The maximum concentrations of benzene, toluene, and xylenes (BTX) and phenols were much lower under aerobic than under anaerobic conditions. Among the phenols, the xylenols (dimethylphenols) appear in higher concentrations under aerobic conditions than phenol and the cresols do. The highest concentrations found were of the same order of magnitude as the calculated solubilities found in the literature, except the chrysene and benz(a)pyrene concentrations, which were one to two orders of magnitude higher than the solubilities.

  5. Catalysis: Elusive active site in focus

    NASA Astrophysics Data System (ADS)

    Labinger, Jay A.

    2016-08-01

    The identification of the active site of an iron-containing catalyst raises hopes of designing practically useful catalysts for the room-temperature conversion of methane to methanol, a potential fuel for vehicles. See Letter p.317

  6. Water-Related Teaching Activities.

    ERIC Educational Resources Information Center

    Coon, Herbert L.; Price, Charles L.

    This publication is designed to provide interested teachers with teaching activities for all grade levels and subject areas that can be used to help students learn about water resources. For each activity, the purpose, level, subject, and concept are given. Activities are organized by grade level. Most of these water related learning activities…

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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...

  12. 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,...

  13. 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.

  14. 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.

  15. 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

  16. Structures of Aquifex aeolicus KDO8P synthase in complex with R5P and PEP, and with a bisubstrate inhibitor: role of active site water in catalysis.

    PubMed

    Wang, J; Duewel, H S; Woodard, R W; Gatti, D L

    2001-12-25

    We have determined the crystal structures of the metalloenzyme 3-deoxy-D-manno-octulosonate 8-phosphate (KDO8P) synthase from Aquifex aeolicus in complex with phosphoenolpyruvate (PEP) and ribose 5-phosphate (R5P), and with a bisubstrate inhibitor that mimics the postulated linear reaction intermediate. R5P, which is not a substrate for KDO8P synthase, binds in a manner similar to that of arabinose 5-phosphate (A5P), which is the natural substrate. The lack of reactivity of R5P appears to be primarily a consequence of the loss of a water molecule coordinated to Cd(2+) and located on the si side of PEP. This water molecule is no longer present because it cannot form a hydrogen bond with C2-OH(R5P), which is oriented in a different direction from C2-OH(A5P). The bisubstrate inhibitor binds with its phosphate and phosphonate moieties occupying the positions of the phosphate groups of A5P and PEP, respectively. One of the inhibitor hydroxyls replaces water as a ligand of Cd(2+). The current work supports a mechanism for the synthesis of KDO8P, in which a hydroxide ion on the si side of PEP attacks C2(PEP), forming a tetrahedral-like intermediate with a buildup of negative charge at C3(PEP). The ensuing condensation of C3(PEP) with C1(A5P) would be favored by a proton transfer from the phosphate moiety of PEP to the aldehyde carbonyl of A5P to generate the hydroxyl. Overall, the process can be described as a syn addition of water and A5P to the si side of PEP.

  17. Engineering of a Water-Soluble Plant Cytochrome P450, CYP73A1, and NMR-Based Orientation of Natural and Alternate Substrates in the Active Site1

    PubMed Central

    Schoch, Guillaume A.; Attias, Roger; Belghazi, Maya; Dansette, Patrick M.; Werck-Reichhart, Danièle

    2003-01-01

    CYP73A1 catalyzes cinnamic acid hydroxylation, a reaction essential for the synthesis of lignin monomers and most phenolic compounds in higher plants. The native CYP73A1, initially isolated from Jerusalem artichoke (Helianthus tuberosus), was engineered to simplify purification from recombinant yeast and improve solublity and stability in the absence of detergent by replacing the hydrophobic N terminus with the peptitergent amphipathic sequence PD1. Optimized expression and purification procedures yielded 4 mg engineered CYP73A1 L–1 yeast culture. This water-soluble enzyme was suitable for 1H-nuclear magnetic resonance (NMR) investigation of substrate positioning in the active site. The metabolism and interaction with the enzyme of cinnamate and four analogs were compared by UV-visible and 1H-NMR analysis. It was shown that trans-3-thienylacrylic acid, trans-2-thienylacrylic acid, and 4-vinylbenzoic acid are good ligands and substrates, whereas trans-4-fluorocinnamate is a competitive inhibitor. Paramagnetic relaxation effects of CYP73A1-Fe(III) on the 1H-NMR spectra of cinnamate and analogs indicate that their average initial orientation in the active site is parallel to the heme. Initial orientation and distances of ring protons to the iron do not explain the selective hydroxylation of cinnamate in the 4-position or the formation of single products from the thienyl compounds. Position adjustments are thus likely to occur during the later steps of the catalytic cycle. PMID:14576280

  18. 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.

  19. 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.

  20. Arid site water balance: evapotranspiration modeling and measurements

    SciTech Connect

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

    1984-09-01

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

  1. 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.

  2. Hanford Site environmental data for calendar year 1991 -- 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 reported for calendar year 1991 by the Ground-Water Surveillance Project, 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 1991 (Evans et al. 1992) and Hanford Site Environmental Report for Calendar Year 1991 (Woodruff and Hanf 1992). The data listings provided here were generated from the Hanford Environmental Information System database.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. Water resources activities in Kentucky, 1986

    USGS Publications Warehouse

    Faust, R. J.

    1986-01-01

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

  8. 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.

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

    SciTech Connect

    1995-09-01

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

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. 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.

  15. Active Sites Environmental Monitoring Program: FY 1991 report

    SciTech Connect

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

    1992-11-01

    This report summarizes the activities of the Active Sites Environmental Monitoring Program (ASEMP) from April 1991 through September 1991. The ASEMP was established in 1989 by Solid Waste Operations (SWO) and the Environmental Sciences Division, both of Oak Ridge National Laboratory, 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. A new set of action levels was developed on the basis of a statistical analysis of background contamination. These new action levels have been used to evaluate results in this report. Results of ASEMP monitoring continue to demonstrate that no LLW (except [sup 3]H) is being leached from the storage vaults on the tumulus pads. Loading of vaults on Tumulus II, which began in early FY 1991, was >90% complete at the end of September 1991. Results of sampling of groundwater and surface waters is presented.

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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).

  1. Control of active sites in flocculation: Concept of equivalent active sites''

    SciTech Connect

    Behl, S.; Moudgil, B.M. . Dept. of Materials Science and Engineering)

    1993-12-01

    Flocculation and dispersion of solids are strong functions of the amount and conformation of the adsorbed polymer. Regions of dispersion and flocculation of solids with particular polymer molecules may be deduced from saturation adsorption data. The concept of equivalent active sites'' is proposed to explain flocculation and dispersion behavior irrespective of the amount or conformation of the adsorbed polymer. The concept has been further extended to study the selective flocculation process.

  2. 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.

  3. A single-site multipole model for liquid water

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  4. 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

  5. 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.

  6. Druggability analysis and classification of protein tyrosine phosphatase active sites

    PubMed Central

    Ghattas, Mohammad A; Raslan, Noor; Sadeq, Asil; Al Sorkhy, Mohammad; Atatreh, Noor

    2016-01-01

    Protein tyrosine phosphatases (PTP) play important roles in the pathogenesis of many diseases. The fact that no PTP inhibitors have reached the market so far has raised many questions about their druggability. In this study, the active sites of 17 PTPs were characterized and assessed for its ability to bind drug-like molecules. Consequently, PTPs were classified according to their druggability scores into four main categories. Only four members showed intermediate to very druggable pocket; interestingly, the rest of them exhibited poor druggability. Particularly focusing on PTP1B, we also demonstrated the influence of several factors on the druggability of PTP active site. For instance, the open conformation showed better druggability than the closed conformation, while the tight-bound water molecules appeared to have minimal effect on the PTP1B druggability. Finally, the allosteric site of PTP1B was found to exhibit superior druggability compared to the catalytic pocket. This analysis can prove useful in the discovery of new PTP inhibitors by assisting researchers in predicting hit rates from high throughput or virtual screening and saving unnecessary cost, time, and efforts via prioritizing PTP targets according to their predicted druggability. PMID:27757011

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

    NASA Technical Reports Server (NTRS)

    Hoffer, R. M.

    1972-01-01

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

  8. 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.

  9. 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.

  10. 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…

  11. 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.

  12. 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

  13. 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.

  14. Overview of Ground-Water Recharge Study Sites

    USGS Publications Warehouse

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

    2007-01-01

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

  15. 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.

  16. 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.

  17. 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.

  18. Activation of Inhibitors by Sortase Triggers Irreversible Modification of the Active Site*S

    PubMed Central

    Maresso, Anthony W.; Wu, Ruiying; Kern, Justin W.; Zhang, Rongguang; Janik, Dorota; Missiakas, Dominique M.; Duban, Mark-Eugene; Joachimiak, Andrzej; Schneewind, Olaf

    2011-01-01

    Sortases anchor surface proteins to the cell wall of Gram-positive pathogens through recognition of specific motif sequences. Loss of sortase leads to large reductions in virulence, which identifies sortase as a target for the development of antibacterials. By screening 135,625 small molecules for inhibition, we report here that aryl (β-amino)ethyl ketones inhibit sortase enzymes from staphylococci and bacilli. Inhibition of sortases occurs through an irreversible, covalent modification of their active site cysteine. Sortases specifically activate this class of molecules via β-elimination, generating a reactive olefin intermediate that covalently modifies the cysteine thiol. Analysis of the three-dimensional structure of Bacillus anthracis sortase B with and without inhibitor provides insights into the mechanism of inhibition and reveals binding pockets that can be exploited for drug discovery. PMID:17545669

  19. 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

  20. 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.

  1. 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.

  2. 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…

  3. 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.

  4. 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.

  5. 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.

  6. 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...

  7. 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.

  8. 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 .

  9. 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

  10. Development of site-specific water quality criteria for copper

    SciTech Connect

    Giere, M.A.; McIntyre, D.O.; DeGraeve, G.M.

    1995-12-31

    Under its current operating system, the final effluent from a copper mining facility consistently meets its effluent limitation for copper. A change in mining practices to solution mining will result in a decrease in the hardness of the final effluent. The reduced hardness of the effluent will lower the effluent limit for copper to a concentration which cannot be achieved. The water-effect ratio (WER) procedure was selected to develop a site-specific criterion continuous concentration for copper for the effluent and it`s receiving stream. WER procedures followed those described in EPA`s ``Interim Guidance on Determination and Use of Water-Effect Ratios for Metals`` (1994). Three WER determinations were made using simulated downstream water as the site water. 48-hour acute Ceriodaphnia dubia and 96-hour acute fathead minnow toxicity tests were selected as the primary and secondary tests, respectively for use in the WER determinations. The results of the three WER determinations will be presented, as will the process used for predicting future effluent quality and permit compliance.

  11. 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.

  12. 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…

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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…

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

    SciTech Connect

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

    1990-12-01

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

  2. 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.

  3. 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.

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

    PubMed

    Gangopadhyay, Aditi; Datta, Abhijit

    2015-04-01

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

  5. A novel approach to predict active sites of enzyme molecules.

    PubMed

    Chou, Kuo-Chen; Cai, Yu-dong

    2004-04-01

    Enzymes are critical in many cellular signaling cascades. With many enzyme structures being solved, there is an increasing need to develop an automated method for identifying their active sites. However, given the atomic coordinates of an enzyme molecule, how can we predict its active site? This is a vitally important problem because the core of an enzyme molecule is its active site from the viewpoints of both pure scientific research and industrial application. In this article, a topological entity was introduced to characterize the enzymatic active site. Based on such a concept, the covariant discriminant algorithm was formulated for identifying the active site. As a paradigm, the serine hydrolase family was demonstrated. The overall success rate by jackknife test for a data set of 88 enzyme molecules was 99.92%, and that for a data set of 50 independent enzyme molecules was 99.91%. Meanwhile, it was shown through an example that the prediction algorithm can also be used to find any typographic error of a PDB file in annotating the constituent amino acids of catalytic triad and to suggest a possible correction. The very high success rates are due to the introduction of a covariance matrix in the prediction algorithm that makes allowance for taking into account the coupling effects among the key constituent atoms of active site. It is anticipated that the novel approach is quite promising and may become a useful high throughput tool in enzymology, proteomics, and structural bioinformatics. PMID:14997541

  6. Water resources activities, Georgia District, 1986

    USGS Publications Warehouse

    Casteel, Carolyn A.; Ballew, Mary D.

    1987-01-01

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

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

    SciTech Connect

    Not Available

    1994-10-01

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

  8. Growth exponents in surface models with non-active sites

    NASA Astrophysics Data System (ADS)

    Santos, M.; Figueiredo, W.; Aarão Reis, F. D. A.

    2006-11-01

    In this work, we studied the role played by the inactive sites present on the substrate of a growing surface. In our model, one particle sticks at the surface if the site where it falls is an active site. However, we allow the deposited particle to diffuse along the surface in accordance with some mechanism previously defined. Using Monte Carlo simulations, and some analytical results, we have investigated the model in (1+1) and (2+1) dimensions considering different relaxation mechanisms. We show that the consideration of non-active sites is a crucial point in the model. In fact, we have seen that the saturation regime is not observed for any value of the density of inactive sites. Besides, the growth exponent β turns to be one, at long times, whatever the mechanism of diffusion we consider in one and two dimensions.

  9. 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

  10. Water-resources activities in Ohio, 1986 (water fact sheet)

    USGS Publications Warehouse

    Hindall, S.M.

    1986-01-01

    The Ohio District of the Water Resources Division, U.S. Geological Survey, provides information on Ohio 's water resources for the overall benefit of the State and the Nation. An integral part of the Survey 's mission is to conduct investigations of the Nation 's land, mineral, and water resources, and to publish and disseminate the information needed to understand, to plan the use of, and to manage these resources. The activities fall into eight broad categories: collection of hydrologic data; water resources investigations and assessments; basic and problem-oriented hydrologic and water related research; acquisition of information useful in predicting and delineating water related natural hazards; coordination of the activities of all Federal agencies in the acquisition of water data, and operation of water information centers; dissemination of data and the results of investigations; provision of scientific and technical assistance in hydrologic studies; and the administration of the State Water Resources Research Institute Program and the National Water Resources Research Grant Program. (Lantz-PTT)

  11. 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.

  12. Solvent Tuning of Electrochemical Potentials in the Active Sites of HiPIP Versus Ferredoxin

    SciTech Connect

    Dey, A.; Francis, E.J.; Adams, M.W.W.; Babini, E.; Takahashi, Y.; Fukuyama, K.; Hodgson, K.O.; Hedman, B.; Solomon, E.I.; /Stanford U., Chem. Dept. /Georgia U. /Bologna U. /Osaka U. /SLAC, SSRL

    2009-04-29

    A persistent puzzle in the field of biological electron transfer is the conserved iron-sulfur cluster motif in both high potential iron-sulfur protein (HiPIP) and ferredoxin (Fd) active sites. Despite this structural similarity, HiPIPs react oxidatively at physiological potentials, whereas Fds are reduced. Sulfur K-edge x-ray absorption spectroscopy uncovers the substantial influence of hydration on this variation in reactivity. Fe-S covalency is much lower in natively hydrated Fd active sites than in HiPIPs but increases upon water removal; similarly, HiPIP covalency decreases when unfolding exposes an otherwise hydrophobically shielded active site to water. Studies on model compounds and accompanying density functional theory calculations support a correlation of Fe-S covalency with ease of oxidation and therefore suggest that hydration accounts for most of the difference between Fd and HiPIP reduction potentials.

  13. 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.

  14. 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

  15. Site 1 field testing for cooling-water treatment. Final report

    SciTech Connect

    Litherland, S.T.; Owen, M.L.; Scholl, F.A.; Kamas, J.W.; Nassos, P.A.

    1985-06-01

    The Electric Power Research Institute is sponsoring a three phase research project to develop a design and operating methodology for recirculating cooling water systems at high concentration factors. To expand the available data base for cooling water systems at high concentration factors, a portable field test unit (FTU) has been designed and fabricated for operation at sites with different makeup water qualities. For a ten month period during 1981, the FTU was operated at the first site, Comanche Generating Station in Pueblo, Colorado. During the field testing, several cooling water treatment options were used to increase the concentration factor for operating the FTU. These water treatment options included: (1) sulfuric acid addition for alkalinity control; (2) lime-soda makeup softening; (3) lime-soda sidestream softening; (4) combined lime-soda makeup and sidestream softening; and (5) inhibitor addition for gypsum scale control. The purpose of this report is to present a detailed discussion of all Site 1 field test activities, including FTU operation and data interpretation and analyses. 11 refs., 68 figs., 70 tabs.

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

    PubMed

    Rajan, Rakhi; Osterman, Amy; Mondragón, Alfonso

    2016-04-20

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

  17. 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

  18. 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.

  19. 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

  20. Classroom Activities about Water and Climate Change

    NASA Astrophysics Data System (ADS)

    Rodriguez, M.

    2012-04-01

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

  1. 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

  2. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2008-12-01

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

  4. 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

  5. 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

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

    USGS Publications Warehouse

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

    2007-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2009-12-01

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

  8. 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

  9. 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.

  10. Site specific rationale for technical impracticability of active groundwater restoration at a former manufactured gas plant site

    SciTech Connect

    Logan, C.M.; Walden, R.H.; MacFarlane, I.D.

    1995-12-31

    The National Contingency Plan (40 CFR Part 300 ) requires that remedial strategies must, at minimum, protect human health and the environment and meet applicable and relevant or appropriate requirements (ARARs). Where groundwater is impacted, maximum contaminant levels (MCLs) and maximum contaminant level goals (MCLGs) set under the Safe Drinking Water Act are often used as ARARs, whether or not the aquifer is a reasonably anticipated future source of drinking water. The US Environmental Protection Agency now recognizes the difficulty of groundwater restoration at sites where dense nonaqueous phase liquids are present, particularly in certain complex hydrogeological settings (EPA 1993). However, demonstration of impracticability generally does not occur until active remediation (e.g., pump and treat) has been shown to be ineffective. A case study of a former manufactured gas plant (MGP) is used to demonstrate how physical and chemical properties of the aquifer and coal tar, the major waste product from MGP sites, influence the feasibility of active restoration. Field characterization investigations, laboratory studies, and groundwater modeling are integrated into a demonstration following EPA guidelines. Laboratory studies included microbiological characterization and natural biodegradation and suggest that intrinsic bioremediation is occurring at this site. This work will be useful as EPA continues to develop presumptive remedies for cleanup under Superfund.

  11. 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.

  12. 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

  13. 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.

  14. Studies on the active site of pig plasma amine oxidase.

    PubMed Central

    Collison, D; Knowles, P F; Mabbs, F E; Rius, F X; Singh, I; Dooley, D M; Cote, C E; McGuirl, M

    1989-01-01

    Amine oxidase from pig plasma (PPAO) has two bound Cu2+ ions and at least one pyrroloquinoline quinone (PQQ) moiety as cofactors. It is shown that recovery of activity by copper-depleted PPAO is linear with respect to added Cu2+ ions. Recovery of e.s.r. and optical spectral characteristics of active-site copper parallel the recovery of catalytic activity. These results are consistent with both Cu2+ ions contributing to catalysis. Further e.s.r. studies indicate that the two copper sites in PPAO, unlike those in amine oxidases from other sources, are chemically distinct. These comparative studies establish that non-identity of the Cu2+ ions in PPAO is not a requirement for amine oxidase activity. It is shown through the use of a new assay procedure that there are two molecules of PQQ bound per molecule of protein in PPAO; only the more reactive of these PQQ moieties is required for activity. PMID:2559715

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

    USGS Publications Warehouse

    Mashburn, Shana L.; Sughru, Michael P.

    2004-01-01

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

  16. 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

  17. 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.

  18. 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

  19. Computer simulation of the active site of human serum cholinesterase

    SciTech Connect

    Kefang Jiao; Song Li; Zhengzheng Lu

    1996-12-31

    The first 3D-structure of acetylchelinesterase from Torpedo California electric organ (T.AChE) was published by JL. Sussman in 1991. We have simulated 3D-structure of human serum cholinesterase (H.BuChE) and the active site of H.BuChE. It is discovered by experiment that the residue of H.BuChE is still active site after a part of H.BuChE is cut. For example, the part of 21KD + 20KD is active site of H.BuChE. The 20KD as it is. Studies on these peptides by Hemelogy indicate that two active peptides have same negative electrostatic potential maps diagram. These negative electrostatic areas attached by acetyl choline with positive electrostatic potency. We predict that 147...236 peptide of AChE could be active site because it was as 20KD as with negative electrostatic potential maps. We look forward to proving from other ones.

  20. 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.

  1. 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.

  2. Multi-site Phosphorylation Regulates Bim Stability and Apoptotic Activity

    PubMed Central

    Hübner, Anette; Barrett, Tamera; Flavell, Richard A.; Davis, Roger J.

    2008-01-01

    The pro-apoptotic BH3-only protein Bim is established to be an important mediator of signaling pathways that induce cell death. Multi-site phosphorylation of Bim by several members of the MAP kinase group is implicated as a regulatory mechanism that controls the apoptotic activity of Bim. To test the role of Bim phosphorylation in vivo, we constructed mice with a series of mutant alleles that express phosphorylation-defective Bim proteins. We show that mutation of the phosphorylation site Thr-112 causes decreased binding of Bim to the anti-apoptotic protein Bcl2 and can increase cell survival. In contrast, mutation of the phosphorylation sites Ser-55, Ser-65, and Ser-73 can cause increased apoptosis because of reduced proteasomal degradation of Bim. Together, these data indicate that phosphorylation can regulate Bim by multiple mechanisms and that the phosphorylation of Bim on different sites can contribute to the sensitivity of cellular apoptotic responses. PMID:18498746

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

    PubMed

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

    2014-12-16

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

  4. 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…

  5. 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.

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

    PubMed

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

    2004-03-01

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

  7. Water resources activities of the USGS, 1992

    USGS Publications Warehouse

    Smith, E. T.

    1993-01-01

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

  8. 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

  9. 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.

  10. Conformational Transitions in Human AP Endonuclease 1 and Its Active Site Mutant during Abasic Site Repair†

    PubMed Central

    Kanazhevskaya, Lyubov Yu.; Koval, Vladimir V.; Zharkov, Dmitry O.; Strauss, Phyllis R.; Fedorova, Olga S.

    2010-01-01

    AP endonuclease 1 (APE 1) is a crucial enzyme of the base excision repair pathway (BER) in human cells. APE1 recognizes apurinic/apyrimidinic (AP) sites and makes a nick in the phosphodiester backbone 5′ to them. The conformational dynamics and presteady-state kinetics of wild-type APE1 and its active site mutant, Y171F-P173L-N174K, have been studied. To observe conformational transitions occurring in the APE1 molecule during the catalytic cycle, we detected intrinsic tryptophan fluorescence of the enzyme under single turnover conditions. DNA duplexes containing a natural AP site, its tetrahydrofuran analogue, or a 2′-deoxyguanosine residue in the same position were used as specific substrates or ligands. The stopped-flow experiments have revealed high flexibility of the APE1 molecule and the complexity of the catalytic process. The fluorescent traces indicate that wild-type APE1 undergoes at least four conformational transitions during the processing of abasic sites in DNA. In contrast, nonspecific interactions of APE1 with undamaged DNA can be described by a two-step kinetic scheme. Rate and equilibrium constants were extracted from the stopped-flow and fluorescence titration data for all substrates, ligands, and products. A replacement of three residues at the enzymatic active site including the replacement of tyrosine 171 with phenylalanine in the enzyme active site resulted in a 2 × 104-fold decrease in the reaction rate and reduced binding affinity. Our data indicate the important role of conformational changes in APE1 for substrate recognition and catalysis. PMID:20575528

  11. 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

  12. N-methyl-D-aspartate recognition site ligands modulate activity at the coupled glycine recognition site.

    PubMed

    Hood, W F; Compton, R P; Monahan, J B

    1990-03-01

    In synaptic plasma membranes from rat forebrain, the potencies of glycine recognition site agonists and antagonists for modulating [3H]1-[1-(2-thienyl)cyclohexyl]piperidine ([3H]TCP) binding and for displacing strychnine-insensitive [3H]glycine binding are altered in the presence of N-methyl-D-aspartate (NMDA) recognition site ligands. The NMDA competitive antagonist, cis-4-phosphonomethyl-2-piperidine carboxylate (CGS 19755), reduces [3H]glycine binding, and the reduction can be fully reversed by the NMDA recognition site agonist, L-glutamate. Scatchard analysis of [3H]glycine binding shows that in the presence of CGS 19755 there is no change in Bmax (8.81 vs. 8.79 pmol/mg of protein), but rather a decrease in the affinity of glycine (KD of 0.202 microM vs. 0.129 microM). Similar decreases in affinity are observed for the glycine site agonists, D-serine and 1-aminocyclopropane-1-carboxylate, in the presence of CGS 19755. In contrast, the affinity of glycine antagonists, 1-hydroxy-3-amino-2-pyrrolidone and 1-aminocyclobutane-1-carboxylate, at this [3H]glycine recognition site increases in the presence of CGS 19755. The functional consequence of this change in affinity was addressed using the modulation of [3H]TCP binding. In the presence of L-glutamate, the potency of glycine agonists for the stimulation of [3H]TCP binding increases, whereas the potency of glycine antagonists decreases. These data are consistent with NMDA recognition site ligands, through their interactions at the NMDA recognition site, modulating activity at the associated glycine recognition site.

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

    PubMed Central

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

    2016-01-01

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

  14. 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.

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

    SciTech Connect

    Forrest, C.L.; Mathews, S.

    2002-04-02

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

  16. Control of active sites in selective flocculation: I -- Mathematical model

    SciTech Connect

    Behl, S.; Moudgil, B.M.; Prakash, T.S. . Dept. of Materials Science and Engineering)

    1993-12-01

    Heteroflocculation has been determined to be another major reason for loss in selectivity for flocculation process. In a mathematical model developed earlier, conditions for controlling heteroflocculation were discussed. Blocking active sites to control selective adsorption of a flocculant oil a desirable solid surface is discussed. It has been demonstrated that the lower molecular weight fraction of a flocculant which is incapable of flocculating the particles is an efficient site blocking agent. The major application of selective flocculation has been in mineral processing but many potential uses exist in biological and other colloidal systems. These include purification of ceramic powders, separating hazardous solids from chemical waste, and removal of deleterious components from paper pulp.

  17. 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...

  18. 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.

  19. The site of activation of factor X by cancer procoagulant.

    PubMed

    Gordon, S G; Mourad, A M

    1991-12-01

    Cancer procoagulant (CP) is a cysteine proteinase found in a variety of malignant cells and tissues and in human amnion-chorion tissue. It initiates coagulation by activating factor X. However, the amino acid sequence of the substrate protein that determines the cleavage site of cysteine proteinases is different from that of the serine proteinases that normally activate factor X, such as factor IXa, VIIa and Russell's Viper Venom (RVV). Therefore, it was of interest to determine the site of cleavage of human factor X by CP. Purified CP was incubated with purified factor X and the reaction mixture was electrophoresed on a 10% Tris-tricine SDS-PAGE gel. The proteins were electroeluted on to a polyvinylidene difluoride (PVDF) membrane, and stained with Coomassie blue. The heavy chain of activated factor X was cut out of the PVDF membrane and sequenced with an Applied Biosystems 477A with on-line HPLC. The primary cleavage sequence was Asp-Ala-Ala-Asp-Leu-Asp-Pro-; two other secondary sequences Ser-Ile-Thr-Trp-Lys-Pro- and Glu-Asn-Pro-Phe-Asp-Leu were found. The penultimate amino acid on the carbonyl side of the hydrolysed amide bond plays a critical role for the recognition of the cleavage site of cysteine proteinases. These data indicate that the penultimate amino acid for the primary cleavage site of factor X by CP is proline-20 and for the secondary sites, proline-13 and proline-28. This is in contrast to arginine-52 that determines the specificity of the cleavage by normal serine proteinase activation.(ABSTRACT TRUNCATED AT 250 WORDS)

  20. 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...

  1. 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.

  2. 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.

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

    PubMed

    Beals, D M; Hayes, D W

    1995-12-01

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

  4. 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.

  5. Functional constituents of the active site of human neutrophil collagenase.

    PubMed

    Mookhtiar, K A; Wang, F; Van Wart, H E

    1986-05-01

    A series of chemical modification reactions has been carried out to identify functional constituents of the active site of human neutrophil collagenase. The enzyme is reversibly inhibited by the transition metal chelating agent 1,10-phenanthroline, and inhibition is fully reversed by zinc. Removal of weakly bound metal ions by gel filtration inactivates collagenase, and activity is fully restored on immediate readdition of calcium. The enzyme is unaffected by reagents that modify serine, cysteine, and arginine residues. However, reaction with the carboxyl reagents cyclohexylmorpholinocarbodiimide and Woodward's Reagent K lowers the activity of the enzyme substantially. Acetylimidazole inactivates the enzyme, but activity is completely restored on addition of hydroxylamine. The enzyme is also inactivated by tetranitromethane, indicating that it contains an essential tyrosine residue. Acylation of collagenase with diethyl pyrocarbonate, diketene, acetic anhydride, or trinitrobenzenesulfonate inactivates the enzyme, and activity is not restored on addition of hydroxylamine, indicating the presence of an essential lysine residue.

  6. 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.

  7. 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.

  8. 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.

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

    PubMed Central

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

    2012-01-01

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

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

    PubMed

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

    2015-04-21

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

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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…

  16. 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.

  17. 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.

  18. Inhibition and active-site modelling of prolidase.

    PubMed

    King, G F; Crossley, M J; Kuchel, P W

    1989-03-15

    Consideration of the active-site model of prolidase led us to examine azetidine, pyrrolidine and piperidine substrate analogs as potential in vivo inhibitors of the enzyme. One of these, N-benzyloxycarbonyl-L-proline, was shown to be a potent competitive inhibitor of porcine kidney prolidase (Ki = 90 microM); its rapid protein-mediated permeation of human and sheep erythrocytes suggests that it may be effective in vivo. The higher homolog, N-benzyloxycarbonyl-L-pipecolic acid, was also a potent inhibitor of the enzyme while the antihypertensive drugs, captopril and enalaprilat, were shown to have mild and no inhibitory effects, respectively. Analysis of inhibitor action and consideration of X-ray crystallographic data of relevant Mn2+ complexes allowed the active-site model of prolidase to be further refined; a new model is presented in which the substrate acts as a bidentate ligand towards the active-site manganous ion. Various aspects of the new model help to explain why Mn2+ has been 'chosen' by the enzyme in preference to other biologically available metal ions. PMID:2924773

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

    USGS Publications Warehouse

    ,

    1994-01-01

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

  20. 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

  1. Root water uptake model based on water potential gradient with water redistribution via roots: application to coniferous forest site

    NASA Astrophysics Data System (ADS)

    Votrubova, Jana; Vogel, Tomas; Dohnal, Michal; Dusek, Jaromir; Tesar, Miroslav

    2013-04-01

    A simple macroscopic vertically distributed plant root water uptake (RWU) model based on traditional water-potential-gradient formulation (Vogel et al., 2013), in which the uptake rates are directly proportional to the potential gradient and indirectly proportional to the local soil and root resistances to water flow, was tested. This RWU modeling approach was implemented in a one-dimensional dual-continuum model of soil water flow based on Richards' equation and used to simulate soil water distribution changes during a vegetation season at a forest site located in a temperate humid climate of central Europe. The main objectives were to test the ability of the presented RWU model to simulate the observed soil-plant-atmosphere interactions, and to examine the differences between empirical and more physically-based RWU modeling approaches (accommodated in the same soil water flow model). The tested RWU model was capable of simulating both the compensatory root water uptake, in situations when reduced uptake from dry layers was compensated for by increased uptake from wetter layers, and the root-mediated hydraulic redistribution of soil water, contributing to more natural soil moisture distribution throughout the root zone. Comparison of the model results with the sap flow observed reveals some limitations related to the quasi-steady-state assumption for the plant xylem and zero transpiration rates prescribed during nights and precipitation. This stated, the model seems to simulate adequately both the regular nightly hydraulic redistribution, due to reduced night transpiration, and the episodic daytime hydraulic redistribution during wet canopy events. The model results were compared to simulations produced using the semi-empirical RWU model of Feddes. Based on both an improved agreement between the observed and simulated soil water pressure responses to daily variations of transpiration, and a more realistic seasonal distribution of the transpiration rate reduction

  2. Site specific metals criteria as determined by Water Effect Ratio studies

    SciTech Connect

    Castle, C.J.; Neserke, G.

    1994-12-31

    Water Effect Ratios (WER) are being used to implement site-specific water quality criteria to address the variability of physical and chemical characteristics of site water and metals that may influence toxicity. A case in point, Coors Brewing Company in Golden, Colorado, has been granted site-specific criteria for the discharge of copper and zinc based on results of WER studies. Acute bioassays were conducted to determine seasonal WER values for copper, zinc and silver. The tests exposed Ceriodaphnia dubia and Pimephales promelas to graduated levels of metals in Clear Creek site water (below discharge mixing zone), reconstituted laboratory water and effluent. Final WER values, calculated by the ratio of LC50`s determined in site water and laboratory water, were multiplied by the standard metals criteria to develop the site specific values incorporated into the Coors Brewing Company permit to discharge. It is suggested that the high LC50 values for metals in site water is a factor of the effluent`s binding capacity that may reduce the bioavailability of metals in site water.

  3. 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.

  4. 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.

  5. 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

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

    SciTech Connect

    1996-03-01

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

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

    PubMed

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

    2014-09-01

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

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

    USGS Publications Warehouse

    Sando, Steven K.; Vecchia, Aldo V.

    2016-07-20

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

  9. Ecological-site based assessments of wind and water erosion: informing management of accelerated soil erosion in rangelands

    NASA Astrophysics Data System (ADS)

    Webb, N.; Herrick, J.; Duniway, M.

    2013-12-01

    This work explores how soil erosion assessments can be structured in the context of ecological sites and site dynamics to inform systems for managing accelerated soil erosion. We evaluated wind and water erosion rates for five ecological sites in southern New Mexico, USA, using monitoring data and rangeland-specific wind and water erosion models. Our results show that wind and water erosion can be highly variable within and among ecological sites. Plots in shrub-encroached and shrub-dominated states were consistently susceptible to both wind and water erosion. However, grassland plots and plots with a grass-succulent mix had a high indicated susceptibility to wind and water erosion respectively. Vegetation thresholds for controlling erosion are identified that transcend the ecological sites and their respective states. The thresholds define vegetation cover levels at which rapid (exponential) increases in erosion rates begin to occur, suggesting that erosion in the study ecosystem can be effectively controlled when bare ground cover is <20% of a site or total ground cover is >50%. Similarly, our results show that erosion can be controlled when the cover of canopy interspaces >50 cm in length reaches ~50%, the cover of canopy interspaces >100 cm in length reaches ~35% or the cover of canopy interspaces >150 cm in length reaches ~20%. This process-based understanding can be applied, along with knowledge of the differential sensitivity of vegetation states, to improve erosion management systems. Land use and management activities that alter cover levels such that they cross thresholds, and/or drive vegetation state changes, may increase the susceptibility of sites to erosion. Land use impacts that are constrained within the natural variability of sites should not result in accelerated soil erosion. Evaluating land condition against the erosion thresholds and natural variability of ecological sites will enable improved identification of where and when accelerated soil

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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

  19. 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

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

    USGS Publications Warehouse

    Panageotou, W.; Garbaciak, Jr. S.

    2002-01-01

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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Electrostatic fields in the active sites of lysozymes.

    PubMed

    Sun, D P; Liao, D I; Remington, S J

    1989-07-01

    Considerable experimental evidence is in support of several aspects of the mechanism that has been proposed for the catalytic activity of lysozyme. However, the enzymatically catalyzed hydrolysis of polysaccharides proceeds over 5 orders of magnitude faster than that of model compounds that mimic the configuration of the substrate in the active site of the enzyme. Although several possible explanations for this rate enhancement have been discussed elsewhere, a definitive mechanism has not emerged. Here we report striking results obtained by classical electrodynamics, which suggest that bond breakage and the consequent separation of charge in lysozyme is promoted by a large electrostatic field across the active site cleft, produced in part by a very asymmetric distribution of charged residues on the enzyme surface. Lysozymes unrelated in amino acid sequence have similar distributions of charged residues and electric fields. The results reported here suggest that the electrostatic component of the rate enhancement is greater than 9 kcal.mol-1. Thus, electrostatic interactions may play a more important role in the enzymatic mechanism than has generally been appreciated.

  6. Histidine at the active site of Neurospora tyrosinase.

    PubMed

    Pfiffner, E; Lerch, K

    1981-10-13

    The involvement of histidyl residues as potential ligands to the binuclear active-site copper of Neurospora tyrosinase was explored by dye-sensitized photooxidation. The enzymatic activity of the holoenzyme was shown to be unaffected by exposure to light in the presence of methylene blue; however, irradiation of the apoenzyme under the same conditions led to a progressive loss of its ability to be reactivated with Cu2+. This photoinactivation was paralleled by a decrease in the histidine content whereas the number of histidyl residues in the holoenzyme remained constant. Copper measurements of photooxidized, reconstituted apoenzyme demonstrated the loss of binding of one copper atom per mole of enzyme as a consequence of photosensitized oxidation of three out of nine histidine residues. Their sequence positions were determined by a comparison of the relative yields of the histidine containing peptides of photooxidized holo- and apotyrosinases. The data obtained show the preferential modification of histidyl residues 188, 193, and 289 and suggest that they constitute metal ligands to one of the two active-site copper atoms. Substitution of copper by cobalt was found to afford complete protection of the histidyl residues from being modified by dye-sensitized photooxidation. PMID:6458322

  7. 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...

  8. 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.

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

    SciTech Connect

    1995-08-01

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

  10. 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.

  11. 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

    Kwak, Yeonju; Schwartz, Jennifer K; Haldar, Suranjana; Behera, Rabindra K; Tosha, Takehiko; Theil, Elizabeth C; Solomon, Edward I

    2014-01-28

    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.

  12. 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.

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

    PubMed

    Ongerth, Jerry E

    2013-09-17

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

  14. 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...

  15. Trichodiene synthase. Identification of active site residues by site-directed mutagenesis.

    PubMed

    Cane, D E; Shim, J H; Xue, Q; Fitzsimons, B C; Hohn, T M

    1995-02-28

    Derivatization of 5,5'-dithiobis(2-nitrobenzoic acid)-treated trichodiene synthase with [methyl-14C]methyl methanethiosulfonate and analysis of the derived tryptic peptides suggested the presence of two cysteine residues at the active site. The corresponding C146A and C190A mutants were constructed by site-directed mutagenesis. The C190A mutant displayed partial but significantly reduced activity, with a reduction in kcat/Km of 3000 compared to the wild-type trichodiene synthase, while the C146A mutant was essentially inactive. A hybrid trichodiene synthase, constructed from amino acids 1-309 of the Fusarium sporotrichioides enzyme and amino acids 310-383 of the Gibberella pulicaris cyclase, had steady state kinetic parameters nearly identical to those of the wild-type F. sporotrichioides enzyme. From this parent hybrid, a series of mutants was constructed by site-directed mutagenesis in which the amino acids in the base-rich region, 302-306 (DRRYR), were systematically modified. Three of these mutants were overexpressed and purified to homogeneity. The importance of Arg304 for catalysis was established by the observation that the R304K mutant showed a more than 25-fold increase in Km, as well as a 200-fold reduction in kcat. In addition, analysis of the incubation products of the R304K mutant by gas chromatography-mass spectrometry (GC-MS) indicated that farnesyl diphosphate was converted not only to trichodiene but to at least two additional C15H24 hydrocarbons, mle 204. Replacement of the Tyr305 residue of trichodiene synthase with Phe had little effect on kcat, while increasing the Km by a factor of ca. 7-8.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7873527

  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. 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

  18. Activation of muscarinic acetylcholine receptors via their allosteric binding sites.

    PubMed Central

    Jakubík, J; Bacáková, L; Lisá, V; el-Fakahany, E E; Tucek, S

    1996-01-01

    Ligands that bind to the allosteric-binding sites on muscarinic acetylcholine receptors alter the conformation of the classical-binding sites of these receptors and either diminish or increase their affinity for muscarinic agonists and classical antagonists. It is not known whether the resulting conformational change also affects the interaction between the receptors and the G proteins. We have now found that the muscarinic receptor allosteric modulators alcuronium, gallamine, and strychnine (acting in the absence of an agonist) alter the synthesis of cAMP in Chinese hamster ovary (CHO) cells expressing the M2 or the M4 subtype of muscarinic receptors in the same direction as the agonist carbachol. In addition, most of their effects on the production of inositol phosphates in CHO cells expressing the M1 or the M3 muscarinic receptor subtypes are also similar to (although much weaker than) those of carbachol. The agonist-like effects of the allosteric modulators are not observed in CHO cells that have not been transfected with the gene for any of the subtypes of muscarinic receptors. The effects of alcuronium on the formation of cAMP and inositol phosphates are not prevented by the classical muscarinic antagonist quinuclidinyl benzilate. These observations demonstrate for the first time that the G protein-mediated functional responses of muscarinic receptors can be evoked not only from their classical, but also from their allosteric, binding sites. This represents a new mechanism of receptor activation. PMID:8710935

  19. 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...

  20. Radiation inactivation study of aminopeptidase: probing the active site

    NASA Astrophysics Data System (ADS)

    Jamadar, V. K.; Jamdar, S. N.; Mohan, Hari; Dandekar, S. P.; Harikumar, P.

    2004-04-01

    Ionizing radiation inactivated purified chicken intestinal aminopeptidase in media saturated with gases in the order N 2O>N 2>air. The D 37 values in the above conditions were 281, 210 and 198 Gy, respectively. OH radical scavengers such as t-butanol and isopropanol effectively nullified the radiation-induced damage in N 2O. The radicals (SCN) 2•-, Br 2•- and I 2•- inactivated the enzyme, pointing to the involvement of aromatic amino acids and cysteine in its catalytic activity. The enzyme exhibited fluorescence emission at 340 nm which is characteristic of tryptophan. The radiation-induced loss of activity was accompanied by a decrease in the fluorescence of the enzyme suggesting a predominant influence on tryptophan residues. The enzyme inhibition was associated with a marked increase in the Km and a decrease in the Vmax and kcat values, suggesting an irreversible alteration in the catalytic site. The above observations were confirmed by pulse radiolysis studies.

  1. 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

  2. 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.

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

    USGS Publications Warehouse

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

    2012-01-01

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

  4. An active-site lysine in avian liver phosphoenolpyruvate carboxykinase

    SciTech Connect

    Guidinger, P.F.; Nowak, T. )

    1991-09-10

    The participation of lysine in the catalysis by avian liver phosphoenolpyruvate carboxykinase was studied by chemical modification and by a characterization of the modified enzyme. The rate of inactivation by 2,4-pentanedione is pseudo-first-order and linearly dependent on reagent concentration with a second-order rate constant of 0.36 {plus minus} 0.025 M{sup {minus}1} min{sup {minus}1}. Inactivation by pyridoxal 5{prime}-phosphate of the reversible reaction catalyzed by phosphoenolpyruvate carboxykinase follows bimolecular kinetics with a second-order rate constant of 7,700 {plus minus} 860 m{sup {minus}1} min{sup {minus}1}. Treatment of the enzyme or one lysine residue modified concomitant with 100% loss in activity. A stoichiometry of 1:1 is observed when either the reversible or the irreversible reactions catalyzed by the enzyme are monitored. A study of k{sub obs} vs pH suggests this active-site lysine has a pK{sub a} of 8.1 and a pH-independent rate constant of inactivation of 47,700 m{sup {minus}1} min{sup {minus}1}. Proton relaxation rate measurements suggest that pyridoxal 5{prime}-phosphate modification alters binding of the phosphate-containing substrates. {sup 31}P NMR relaxation rate measurements show altered binding of the substrates in the ternary enzyme {center dot}Mn{sup 2+}{center dot}substrate complex. Circular dichroism studies show little change in secondary structure of pyridoxal 5{prime}-phosphate modified phosphoenolpyruvate carboxykinase. These results indicate that avian liver phosphoenolpyruvate carboxykinase has one reactive lysine at the active site and it is involved in the binding and activation of the phosphate-containing substrates.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. [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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. Molecular Study of the Effects of Chemical Processing on Heterogeneous Ice Nucleation: Role of Active Sites and Product Formation

    NASA Astrophysics Data System (ADS)

    Sihvonen, S.; Schill, G. P.; Murphy, K. A.; Mueller, K.; Tolbert, M. A.; Freedman, M. A.

    2014-12-01

    Mineral dust aerosol is the largest global source of ice nuclei, but the identity of the active sites for nucleation is unknown. During atmospheric transport, mineral dust aerosol can encounter and react with sulfuric acid, which affects the ice nucleation activity either due to changes to reactive surface sites or product formation. In this study, we reacted two types of clays found in mineral dust, kaolinite and montmorillonite, with sulfuric acid. Variation in the mineral due to acid treatment was separated from product formation through rinsing techniques. The samples were subsequently reacted with a probe molecule, (3,3,3-trifluoropropyl)dimethylchlorosilane, that selectively binds to edge hydroxyl groups that are bonded to a silicon atom with three bridging oxygens. Hydroxyl groups are considered potential active sites, because they can hydrogen bond with water and facilitate ice nucleation. Attachment to these sites was quantified by 19F magic angle spinning nuclear magnetic resonance (MAS NMR) of the 19F atoms on the probe molecule, which provided a direct correlation of the number of hydroxyl groups. Our results indicate that the number of edge-site hydroxyl groups increases with exposure to acid. Ice nucleation measurements indicate that the sulfuric acid-treated mineral is less ice active than the untreated mineral. Surprisingly, no difference between the nucleation activity of the untreated mineral and acid-treated, rinsed mineral is observed. As a result, we hypothesize that once a critical density of active sites is reached for ice nucleation, there is no further change in nucleation activity despite a continued increase in active sites. We additionally propose that the reduced activity of the acid-treated mineral is due to product formation that blocks active sites on the mineral, rather than changes to active sites.

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

    USGS Publications Warehouse

    Sando, Steven K.; Vecchia, Aldo V.

    2016-07-20

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

  18. Active site loop conformation regulates promiscuous activity in a lactonase from Geobacillus kaustophilus HTA426.

    PubMed

    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.

  19. 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

  20. 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

  1. 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.

  2. Water activities in the Kerala Khondalite Belt

    NASA Technical Reports Server (NTRS)

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

    1988-01-01

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

  3. 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.

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

    USGS Publications Warehouse

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

    1995-01-01

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

  5. 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.

  6. Metals in the active site of native protein phosphatase-1.

    PubMed

    Heroes, Ewald; Rip, Jens; Beullens, Monique; Van Meervelt, Luc; De Gendt, Stefan; Bollen, Mathieu

    2015-08-01

    Protein phosphatase-1 (PP1) is a major protein Ser/Thr phosphatase in eukaryotic cells. Its activity depends on two metal ions in the catalytic site, which were identified as manganese in the bacterially expressed phosphatase. However, the identity of the metal ions in native PP1 is unknown. In this study, total reflection X-ray fluorescence (TXRF) was used to detect iron and zinc in PP1 that was purified from rabbit skeletal muscle. Metal exchange experiments confirmed that the distinct substrate specificity of recombinant and native PP1 is determined by the nature of their associated metals. We also found that the iron level associated with native PP1 is decreased by incubation with inhibitor-2, consistent with a function of inhibitor-2 as a PP1 chaperone. PMID:25890482

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

    PubMed Central

    Hytönen, Vesa P; Vogel, Viola

    2008-01-01

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

  8. 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

  9. Zymogen Activation and Subcellular Activity of Subtilisin Kexin Isozyme 1/Site 1 Protease*

    PubMed Central

    da Palma, Joel Ramos; Burri, Dominique Julien; Oppliger, Joël; Salamina, Marco; Cendron, Laura; de Laureto, Patrizia Polverino; Seidah, Nabil Georges; Kunz, Stefan; Pasquato, Antonella

    2014-01-01

    The proprotein convertase subtilisin kexin isozyme 1 (SKI-1)/site 1 protease (S1P) plays crucial roles in cellular homeostatic functions and is hijacked by pathogenic viruses for the processing of their envelope glycoproteins. Zymogen activation of SKI-1/S1P involves sequential autocatalytic processing of its N-terminal prodomain at sites B′/B followed by the herein newly identified C′/C sites. We found that SKI-1/S1P autoprocessing results in intermediates whose catalytic domain remains associated with prodomain fragments of different lengths. In contrast to other zymogen proprotein convertases, all incompletely matured intermediates of SKI-1/S1P showed full catalytic activity toward cellular substrates, whereas optimal cleavage of viral glycoproteins depended on B′/B processing. Incompletely matured forms of SKI-1/S1P further process cellular and viral substrates in distinct subcellular compartments. Using a cell-based sensor for SKI-1/S1P activity, we found that 9 amino acid residues at the cleavage site (P1–P8) and P1′ are necessary and sufficient to define the subcellular location of processing and to determine to what extent processing of a substrate depends on SKI-1/S1P maturation. In sum, our study reveals novel and unexpected features of SKI-1/S1P zymogen activation and subcellular specificity of activity toward cellular and pathogen-derived substrates. PMID:25378398

  10. 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.

  11. 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

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

    USGS Publications Warehouse

    Gerner, Steven J.

    2003-01-01

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

  13. 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)

  14. 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)

  15. Neutron sensors for locating sites of planetary water deposits

    SciTech Connect

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

    1998-12-31

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

  16. 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.

  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. 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 ...

  20. 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)

  1. 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...

  2. 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)

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

    PubMed

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

    2013-11-01

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

  4. 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.

  5. 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…

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

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

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

  7. 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

  8. Sediment enzyme activities and microbial community diversity in an oligotrophic drinking water reservoir, eastern China.

    PubMed

    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·24 h). 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.

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

    USGS Publications Warehouse

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

    2006-01-01

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

  10. 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

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

    NASA Astrophysics Data System (ADS)

    Rothe, Deborah Ruth

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

  12. 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.

  13. 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.

  14. 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

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

    SciTech Connect

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

    1992-01-01

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

  16. 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. Numeric removal action levels for contaminated drinking water sites. Update 2. Directive

    SciTech Connect

    1995-03-01

    This document is an updated table of numeric action levels for contaminated drinking water sites. It was originally published as an attachment to 9360.1-02 (Oct. 93) which described the new methodology used by OERR to calculate removal action levels (RALs) in drinking water.

  18. 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.

  19. 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

  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.

  1. 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.

  2. 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.

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

    USGS Publications Warehouse

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

    2011-01-01

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

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

    PubMed

    Warren, Ean; Bekins, Barbara A

    2015-11-01

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

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

    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

  6. 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.

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

    USGS Publications Warehouse

    Warren, Ean; Bekins, Barbara A.

    2015-01-01

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

  8. Characterization of the active site of chloroperoxidase using physical techniques

    SciTech Connect

    Hall, K.S.

    1986-01-01

    Chloroperoxidase (CPO) and Cytochrome P-450, two very different hemeproteins, have been shown to have similar active sites by several techniques. Recent work has demonstrated thiolate ligation from a cysteine residue to the iron in P-450. A major portion of this research has been devoted to obtaining direct evidence that CPO also has a thiolate 5th ligand from a cysteine residue. This information will provide the framework for a detailed analysis of the structure-function relationships between peroxidases, catalase and cytochrome P-450 hemeproteins. To determine whether the 5th ligand is a cysteine, methionine or a unique amino acid, specific isotope enrichment experiments were used. Preliminary /sup 1/H-NMR studies show that the carbon monoxide-CPO complex has a peak in the upfield region corresponding to alpha-protons of a thiolate amino acid. C. fumago was grown on 95% D/sub 2/O media with a small amount of /sup 1/H-cysteine added. Under these conditions C. fumago slows down the biosynthesis of cysteine by at least 50% and utilizes the exogenous cysteine in the media. GC-MS was able to show that the methylene protons next to the sulfur atom in cysteine are 80-90% protonated while these positions in methionine are approximately 73% deuterated. Comparison of the /sup 1/H-NMR spectra of CO-CPO and CO-CPO indicate the presence of a cysteine ligand in chloroperoxidase.

  9. 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

  10. 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.

  11. 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

  12. Active Site Characterization of Proteases Sequences from Different Species of Aspergillus.

    PubMed

    Morya, V K; Yadav, Virendra K; Yadav, Sangeeta; Yadav, Dinesh

    2016-09-01

    A total of 129 proteases sequences comprising 43 serine proteases, 36 aspartic proteases, 24 cysteine protease, 21 metalloproteases, and 05 neutral proteases from different Aspergillus species were analyzed for the catalytically active site residues using MEROPS database and various bioinformatics tools. Different proteases have predominance of variable active site residues. In case of 24 cysteine proteases of Aspergilli, the predominant active site residues observed were Gln193, Cys199, His364, Asn384 while for 43 serine proteases, the active site residues namely Asp164, His193, Asn284, Ser349 and Asp325, His357, Asn454, Ser519 were frequently observed. The analysis of 21 metalloproteases of Aspergilli revealed Glu298 and Glu388, Tyr476 as predominant active site residues. In general, Aspergilli species-specific active site residues were observed for different types of protease sequences analyzed. The phylogenetic analysis of these 129 proteases sequences revealed 14 different clans representing different types of proteases with diverse active site residues.

  13. 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

  14. 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

  15. Geohydrology and ground-water quality at the Pueblo Depot Activity Landfill near Pueblo, Colorado. Water Resources Investigation

    SciTech Connect

    Watts, K.R.; Ortiz, R.F.

    1990-01-01

    The report describes the geohydrologic system and chemical characteristics of ground water at the Pueblo Depot Activity landfill, as required for the issuance of a certificate of designation for the landfill, and describes the potential effects of the landfill on ground-water quality. Ground-water samples were collected during December 1988 and mid-January 1989 from eight wells, a seep, and an offsite stock tank. These sites and the four piezometers were sampled during February 1989. Water levels were measured in the monitor wells and piezometers to determine depth from land surface to the water table, the water-table altitude, and saturated thickness of the shallow unconfined aquifer at the landfill. Hydraulic characteristics of the aquifer are based on lithologic descriptions and results of aquifer tests in nearby wells with similar lithologic characteristics.

  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. The removal of odors and pyrophorics from produced water sites, sour water tanks, and process equipment using potassium permanganate

    SciTech Connect

    Vella, P.

    1996-12-31

    In the production of oil, the water that is generated contains a number of different organic and inorganic compounds. The compounds that commonly cause problems are those having an odor such as mercaptans and hydrogen sulfide (H{sub 2}S). Disposal of this water is becoming increasingly difficult due to environmental restrictions, especially concerning sulfides. Previous methods for disposal, such as deep well injection, are no longer acceptable. Other alternatives must be found. A similar problem exists at a refinery with respect to sour water. Sour water is defined as any water, process or otherwise, that is contaminated with H{sub 2}S. The sour water is usually cycled between a sour water tank and the unit process requiring the water. At some point in time, the water becomes too contaminated for use in the process, and must be discharged. The water is usually stored in a sour water tank, which can also contain organic sludge, suspended solids, dissolved organics, and other hazardous materials. This paper describes the use of potassium permanganate for the removal of odors at production/refining sites.

  18. Artificial marsh treatment of non-process water for reuse in site steam boilers

    SciTech Connect

    Moore, R.M.; Card, S.W.

    1997-09-01

    An artificial marsh has been constructed to treat surface water at a Magnolia, Arkansas production facility. The artificial marsh water treatment system utilizes aquatic plants and bacteria to treat up to one million gallons (4,000 m{sup 3}) per day of non-contact water and storm water runoff from within the main plant and adjacent areas. To protect the ecological balance of the marsh, the cooling tower biocide was switched from an organic biocide to a program that uses sodium bromide. Sample analyses have demonstrated that the water quality existing the marsh meets or exceeds permit requirements including bio-assay. The water after removal of suspended solids by sand filtration is suitable for reuse as fed to the water softeners which supply water to the site steam boilers. By diverting this water into the plant, the amount of fresh well water required at the site and the amount of non-contact water exiting the facility has been reduced.

  19. 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)

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

    PubMed

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

    2016-01-01

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

  1. Hanford Site ground-water model: Geographic information system linkages and model enhancements, FY 1993

    SciTech Connect

    Wurstner, S.K.; Devary, J.L.

    1993-12-01

    Models of the unconfined aquifer are important tools that are used to (1) identify and quantify existing, emerging, or potential ground-water quality problems, (2) predict changes in ground-water flow and contaminant transport as waste-water discharge operations change, and (3) assess the potential for contaminants to migrate from the US Department of Energy`s Hanford Site through the ground water. Formerly, most of the numerical models developed at the Hanford Site were two-dimensional. However, contaminant concentrations cannot be accurately predicted with a two-dimensional model, which assumes a constant vertical distribution of contaminants in the aquifer. Development of two- and three-dimensional models of ground-water flow based on the Coupled Fluid, Energy, and Solute Transport (CFEST) code began in the mid- 1980s. The CFEST code was selected because of its ability to simulate both ground-water flow and contaminant transport. Physical processes that can be modeled by CFEST include aquifer geometry, heterogeneity, boundary conditions, and initial conditions. The CFEST ground-water modeling library has been integrated with the commercially available geographic information system (GIS) ARC/INFO. The display and analysis capabilities of a GIS are well suited to the size and diversity of databases being generated at the Hanford Site. The ability to visually inspect large databases through a graphical analysis tool provides a stable foundation for site assessments and ground-water modeling studies. Any ground-water flow model being used by an ongoing project should be continually updated and refined to reflect the most current knowledge of the system. The two-dimensional ground-water flow model being used in support of the Ground-Water Surveillance Project has recently been updated and enhanced. One major enhancement was the extension of the model area to include North Richland.

  2. 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.

  3. Discovery of Active Hydrothermal Sites Along the Mariana Volcanic Arc, Western Pacific Ocean

    NASA Astrophysics Data System (ADS)

    Baker, E. T.; Embley, R. W.; Resing, J. A.; Lupton, J. E.; Massoth, G. J.; de Ronde, C. E.; Nakamura, K.; Walker, S. L.

    2003-12-01

    Some 20,000 km of volcanic arcs, roughly one-third the total length of the global midocean ridge (MOR) system, rim the western Pacific Ocean. But compared to 25 years of hydrothermal investigations along MORs, exploration of similar activity on the estimated 600 submarine arc volcanoes is only beginning. In February 2003, as part of the Submarine Ring of Fire project funded by NOAA's Ocean Exploration Program, we made the first systematic survey of hydrothermal activity along the 1270-km-long Mariana intraoceanic volcanic arc, which lies almost entirely within the US EEZ. Prior fieldwork had documented active (but low-temperature) hydrothermal discharge on only three volcanoes: Kasuga 2, Kasuga 3, and Esmeralda Bank. During the cruise, we conducted 70 CTD operations over more than 50 individual volcanoes from 13° N to 23° N, plus a continuous CTD survey along 75 km of the back-arc spreading center (13° 15'N to 13° 41'N) adjacent to the southern end of the arc. We found evidence for active hydrothermal venting at 11 submarine volcanoes with summit (or caldera floor) depths ranging from 50 to 1550 m. Two additional sites were identified on the back-arc spreading center. Ongoing analyses of collected water samples could increase these totals. Our results confirmed continuing hydrothermal activity at Kasuga 2 (but not Kasuga 3) and Esmeralda Bank, in addition to newly discovered sites on nine other volcanoes. Many of these sites produce intense and widely dispersed plumes indicative of vigorous, high-temperature discharge. The volcanoes with active hydrothermal systems are about equally divided between those with and without summit calderas. The addition of the Marianas data greatly improves our view of hydrothermal sources along arcs. The 20,000 km of Pacific arcs can be divided between 6380 km of intraoceanic (i.e., mostly submarine) arcs and 13,880 km of island (i.e., mostly subaerial) arcs. At present, ˜15% of the total length of Pacific arcs has been surveyed

  4. 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.

  5. Durability of bactericidal activity in electrolyzed neutral water by storage.

    PubMed

    Nagamatsu, Yuki; Chen, Kerr-Kong; Tajima, Kiyoshi; Kakigawa, Hiroshi; Kozono, Yoshio

    2002-06-01

    Electrolyzed strong and weak acid waters have been widely used for sterilization in clinical dentistry because of their excellent bactericidal activities. Electrolyzed neutral water was recently developed with a new concept of long-term good durability in addition to the excellent bactericidal activity similar to acid waters. The present study, evaluated the storage life of this water compared with the acid waters in terms of the changes in pH, oxidation-reduction potential (ORP), residual chlorine and bactericidal activity under several conditions using Staphylococcus aureus 209P. The strong acid water showed a rapid deterioration of its bactericidal activity. The weak acid and neutral waters exhibited excellent durability. Although all the bacteria were annihilated by the contact with the waters even stored for 40 days in the uncapped bottle, the neutral water was superior in further long-term duration.

  6. Mechanism of Oxygen Reduction in Cytochrome c Oxidase and the Role of the Active Site Tyrosine.

    PubMed

    Blomberg, Margareta R A

    2016-01-26

    Cytochrome c oxidase, the terminal enzyme in the respiratory chain, reduces molecular oxygen to water and stores the released energy through electrogenic chemistry and proton pumping across the membrane. Apart from the heme-copper binuclear center, there is a conserved tyrosine residue in the active site (BNC). The tyrosine delivers both an electron and a proton during the O-O bond cleavage step, forming a tyrosyl radical. The catalytic cycle then occurs in four reduction steps, each taking up one proton for the chemistry (water formation) and one proton to be pumped. It is here suggested that in three of the reduction steps the chemical proton enters the center of the BNC, leaving the tyrosine unprotonated with radical character. The reproprotonation of the tyrosine occurs first in the final reduction step before binding the next oxygen molecule. It is also suggested that this reduction mechanism and the presence of the tyrosine are essential for the proton pumping. Density functional theory calculations on large cluster models of the active site show that only the intermediates with the proton in the center of the BNC and with an unprotonated tyrosyl radical have a high electron affinity of similar size as the electron donor, which is essential for the ability to take up two protons per electron and thus for the proton pumping. This type of reduction mechanism is also the only one that gives a free energy profile in accordance with experimental observations for the amount of proton pumping in the working enzyme.

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

    USGS Publications Warehouse

    Barr, Miya N.; Davis, Jerri V.

    2010-01-01

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

  8. Water resources data, Wyoming, water year 2004; Volume 1. Surface water; with List of discontinued and active surface-water, water-quality, sediment, and biological stations

    USGS Publications Warehouse

    Watson, K.R.; Woodruff, R.E.; Laidlaw, G.A.; Clark, M.L.; Miller, K.A.

    2005-01-01

    Water resources data for the 2004 water year for Wyoming consist of records of stage, discharge and water quality of streams; stage and contents of lakes and reservoirs, and water levels and water quality of ground water. Volume 1 of this report contains discharge records for 164 gaging stations; water quality for 43 gaging stations and 45 ungaged stations, and stage and contents for one reservoir. Volume 2 of this report contains water levels records for 64 wells. Additional water data were collected at various sites, not part of the systematic data collection program, and are published as miscellaneous measurements. These data represent part of the National Water Information System operated by the U.S. Geological Survey and cooperating State and Federal agencies in Wyoming.

  9. 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.

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  14. 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...

  15. 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.

  16. 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.

  17. 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.

  18. 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...

  19. 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...

  20. Seasonal factors affecting surfactant biodegradation in Antarctic coastal waters: comparison of a polluted and pristine site.

    PubMed

    George, Alison L

    2002-05-01

    This report is the first seasonal study of anthropogenic pollutant biodegradation rates in Antarctic coastal waters. The capacity of surface waters from Rothera Research Station, Adelaide Island, Antarctica, to biodegrade the anionic surfactant sodium dodecyl sulphate (SDS) was quantified in biodegradation tests from April 1988 to January 1999. Large temporal differences in the persistence of SDS were observed. In mid-winter (July), the SDS-biodegradation half life was twice that measured in mid-summer (January), despite small temperature differences (up to 2.45 degrees C). Comparisons between water from a pristine site and a site receiving grey-waste water from the station showed that some acclimation to SDS was occurring in the contaminated water. This resulted in SDS half lives up to to approximately 80 h shorter in the polluted water compared with the pristine site in the summer months when a large population of SDS-degrading bacteria had developed. Biodegradation half lives in Antarctic coastal waters (160-460 h) were generally far higher than those observed in temperate waters.

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

    SciTech Connect

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

    1999-05-20

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

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

    EPA Science Inventory

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

  3. 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...

  4. 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

  5. Control of active sites in selective flocculation: III -- Mechanism of site blocking

    SciTech Connect

    Behl, S.; Moudgil, B.M. . Dept. of Materials Science and Engineering)

    1993-12-01

    It has been shown in Parts I and II of this paper that heteroflocculation can be controlled by poisoning the sites for flocculant adsorption using a site blocking agent (SBA). An efficient SBA was determined to be the lower molecular weight fraction of the flocculant. In this paper, the underlying mechanism of SBA action is described. Also, the mathematical model detailed in Part I is used to determine the effect of different SBAs on apatite-dolomite separation efficiency. It has been demonstrated that the depression in flocculation is directly related to the site blocking parameter ([bar [Phi

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

    USGS Publications Warehouse

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

    2007-01-01

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

  7. Dynamically achieved active site precision in enzyme catalysis.

    PubMed

    Klinman, Judith P

    2015-02-17

    CONSPECTUS: The grand challenge in enzymology is to define and understand all of the parameters that contribute to enzymes' enormous rate accelerations. The property of hydrogen tunneling in enzyme reactions has moved the focus of research away from an exclusive focus on transition state stabilization toward the importance of the motions of the heavy atoms of the protein, a role for reduced barrier width in catalysis, and the sampling of a protein conformational landscape to achieve a family of protein substates that optimize enzyme-substrate interactions and beyond. This Account focuses on a thermophilic alcohol dehydrogenase for which the chemical step of hydride transfer is rate determining across a wide range of experimental conditions. The properties of the chemical coordinate have been probed using kinetic isotope effects, indicating a transition in behavior below 30 °C that distinguishes nonoptimal from optimal C-H activation. Further, the introduction of single site mutants has the impact of either enhancing or eliminating the temperature dependent transition in catalysis. Biophysical probes, which include time dependent hydrogen/deuterium exchange and fluorescent lifetimes and Stokes shifts, have also been pursued. These studies allow the correlation of spatially resolved transitions in protein motions with catalysis. It is now possible to define a long-range network of protein motions in ht-ADH that extends from a dimer interface to the substrate binding domain across to the cofactor binding domain, over a distance of ca. 30 Å. The ongoing challenge to obtaining spatial and temporal resolution of catalysis-linked protein motions is discussed.

  8. 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

  9. 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

  10. Earthquake prediction activities and Damavand earthquake precursor test site in Iran

    NASA Astrophysics Data System (ADS)

    Mokhtari, Mohammad

    2010-01-01

    Iran has long been known as one of the most seismically active areas of the world, and it frequently suffers destructive and catastrophic earthquakes that cause heavy loss of human life and widespread damage. The Alborz region in the northern part of Iran is an active EW trending mountain belt of 100 km wide and 600 km long. The Alborz range is bounded by the Talesh Mountains to the west and the Kopet Dagh Mountains to the east and consists of several sedimentary and volcanic layers of Cambrian to Eocene ages that were deformed during the late Cenozoic collision. Several active faults affect the central Alborz. The main active faults are the North Tehran and Mosha faults. The Mosha fault is one of the major active faults in the central Alborz as shown by its strong historical seismicity and its clear morphological signature. Situated in the vicinity of Tehran city, this 150-km-long N100° E trending fault represents an important potential seismic source. For earthquake monitoring and possible future prediction/precursory purposes, a test site has been established in the Alborz mountain region. The proximity to the capital of Iran with its high population density, low frequency but high magnitude earthquake occurrence, and active faults with their historical earthquake events have been considered as the main criteria for this selection. In addition, within the test site, there are hot springs and deep water wells that can be used for physico-chemical and radon gas analysis for earthquake precursory studies. The present activities include magnetic measurements; application of methodology for identification of seismogenic nodes for earthquakes of M ≥ 6.0 in the Alborz region developed by International Institute of Earthquake Prediction Theory and Mathematical Geophysics, IIEPT RAS, Russian Academy of Science, Moscow (IIEPT&MG RAS); a feasibility study using a dense seismic network for identification of future locations of seismic monitoring stations and application

  11. Lethal Factor Active-Site Mutations Affect Catalytic Activity In Vitro

    PubMed Central

    Hammond, S. E.; Hanna, P. C.

    1998-01-01

    The lethal factor (LF) protein of Bacillus anthracis lethal toxin contains the thermolysin-like active-site and zinc-binding consensus motif HEXXH (K. R. Klimpel, N. Arora, and S. H. Leppla, Mol. Microbiol. 13:1093–1100, 1994). LF is hypothesized to act as a Zn2+ metalloprotease in the cytoplasm of macrophages, but no proteolytic activities have been previously shown on any target substrate. Here, synthetic peptides are hydrolyzed by LF in vitro. Mass spectroscopy and peptide sequencing of isolated cleavage products separated by reverse-phase high-pressure liquid chromatography indicate that LF seems to prefer proline-containing substrates. Substitution mutations within the consensus active-site residues completely abolish all in vitro catalytic functions, as does addition of 1,10-phenanthroline, EDTA, and certain amino acid hydroxamates, including the novel zinc metalloprotease inhibitor ZINCOV. In contrast, the protease inhibitors bestatin and lysine CMK, previously shown to block LF activity on macrophages, did not block LF activity in vitro. These data provide the first direct evidence that LF may act as an endopeptidase. PMID:9573135

  12. 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.

  13. Monoclonal antibody against the active site of caeruloplasmin and the ELISA system detecting active caeruloplasmin.

    PubMed

    Hiyamuta, S; Ito, K

    1994-04-01

    Serum caeruloplasmin deficiency is a characteristic biochemical abnormality found in patients with Wilson's disease, but the mechanism of this disease is unknown. Although the phenylenediamine oxidase activity of serum caeruloplasmin is markedly low in patients with Wilson's disease, mRNA of caeruloplasmin exists to some extent. To investigate the deficiency of caeruloplasmin oxidase activity in Wilson's disease, we generated 14 monoclonal antibodies (MAbs) and selected ID1, which had the strongest reactivity, and ID2, which had neutralizing ability. We also established a system to measure active caeruloplasmin specifically using these MAbs. These MAbs and the system will be useful tools in analyzing the active site of caeruloplasmin in patients with Wilson's disease.

  14. 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.

  15. Control of active sites in selective flocculation: II -- Role of site blocking agents

    SciTech Connect

    Behl, S.; Moudgil, B.M. . Dept. of Materials Science and Engineering)

    1993-12-01

    Control of heteroflocculation using a lower molecular weight fraction of the flocculant as a site blocking agent is demonstrated in the apatite-dolomite-polyethylene oxide system. The most effective SBA (site blocking agent) was determined to be the highest molecular weight fraction of the flocculant itself which was not capable of flocculating any of the components of the mixture. In the presence of the SBA, flocculant adsorption decreased significantly on apatite particles, thereby inhibiting coflocculation.

  16. 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.

  17. 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.

  18. Evidence of sulphur and nitrogen deposition signals at the United Kingdom Acid Waters Monitoring Network sites.

    PubMed

    Cooper, D M

    2005-09-01

    Some recent studies of trends in sulphate in surface waters have alluded to possible lag effects imposed by catchment soils, resulting in discrepancies between trends in deposition and run-off. To assess the extent of these possible effects in the UK, sulphate concentration data from the United Kingdom Acid Waters Monitoring Network (AWMN) sites are compared with estimates of sulphur deposition at each site. From these data, input-output budgets are computed at an annual time scale. The estimated budgets suggest a close association between catchment sulphur inputs and outputs at an annual scale, with well-balanced annual budgets at most sites, indicative of only minor lag effects. A similar analysis of the AWMN site nitrogen budget shows little evidence of an association between nitrogen inputs and outputs at this time scale.

  19. 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

  20. Treatability of Ninth Avenue Superfund Site ground-water. Final report

    SciTech Connect

    Zappi, M.E.; Teeter, C.; Fleming, E.; Francingues, N.R.

    1991-03-01

    The Ninth Avenue Superfund Site is located in Gary, IN, and has been listed on the US Environmental Protection Agency's National Priorities List since 1973. The site is a 17-acre (68,800-sq m) inactive chemical disposal area within a relatively undeveloped, low-lying area. Past disposal activities resulted in the contamination of the underlying groundwater, predominantly with ketones, benzenes, phenols, and chlorinated aliphatic compounds. Four technologies were evaluated on the bench scale for their ability to remove organic contaminants from a composite of groundwater samples collected from six site observation wells. These technologies were activated sludge (aerobic biotreatment), activated sludge with powdered activated carbon (PAC) addition, air stripping, and activated carbon. The results indicate that activated carbon does not have a high sorptive capacity for the site contaminants. Air stripping did not exhibit a high potential for efficiently removing the contaminants from the composite sample. However, activated sludge indicated potential for removing the site contaminants. The addition of PAC improved contaminant removal. Increased removals of chemical oxygen demand and total organic carbon from the composite sample with increased PAC dose were observed. Activated sludge and PAC/activated carbon were capable of removing all priority pollutants to concentrations at or below detection limits.

  1. An examination of the toxic properties of water extracts in the vicinity of an oil sand extraction site.

    PubMed

    Gagné, F; André, C; Douville, M; Talbot, A; Parrott, J; McMaster, M; Hewitt, M

    2011-11-01

    The industrial extraction of oil sands (OS) in northern Alberta, Canada, has raised concerns about the quality of the Athabasca River. The purpose of this study was to examine the toxic properties of various water extracts on Oncorhynchus mykiss trout hepatocytes. The water samples were fractionated on a reverse-phase C(18) cartridge and the levels of light-, medium- and heavy-weight polycyclic aromatic hydrocarbons (PAHs) were determined by fluorescence spectroscopy. Primary cultures of trout hepatocytes were exposed for 48 h at 15 °C to increasing concentrations of the C(18) extract corresponding to 0.02, 0.1, 0.5 and 2.5X concentrations from upstream/downstream sites in the Athabasca River, lake and groundwater samples, OS tailings and interceptor well-water samples. Changes in cell viability, phase I and phase II biotransformation enzymes (cytochrome P4501A and glutathione S-transferase activities), oxidative damage (lipid peroxidation LPO) and genotoxicity (single and double DNA strand breaks) were monitored in post-exposure cells. The water samples decreased cell viability and increased all the above endpoints at thresholds of between 0.02 and 0.1X the water concentration. The most responsive biomarker was DNA damage but it also offered the least discrimination among sites. LPO was higher at sites downstream of the industrial operations compared to upstream sites. A decision tree analysis was performed to formulate a set of rules by which to identify the distinctive properties of each type of water samples. The analysis revealed that OS tailings and interceptor waters were characterized by an increased concentration in light PAHs (>42 μg L(-1)) and this fraction represented more than 85% of the total PAHs. These samples also inhibited GST activity, which could compromise the elimination of genotoxic PAHs present in the system. An analysis of groundwater samples revealed a contamination pattern similar to that for OS tailings. There is a need for more

  2. 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.

  3. Metal ions bound at the active site of the junction-resolving enzyme T7 endonuclease I.

    PubMed

    Hadden, Jonathan M; Déclais, Anne-Cécile; Phillips, Simon E V; Lilley, David M J

    2002-07-01

    T7 endonuclease I is a nuclease that is selective for the structure of the four-way DNA junction. The active site is similar to those of a number of restriction enzymes. We have solved the crystal structure of endonuclease I with a wild-type active site. Diffusion of manganese ions into the crystal revealed two peaks of electron density per active site, defining two metal ion-binding sites. Site 1 is fully occupied, and the manganese ion is coordinated by the carboxylate groups of Asp55 and Glu65, and the main chain carbonyl of Thr66. Site 2 is partially occupied, and the metal ion has a single protein ligand, the remaining carboxylate oxygen atom of Asp55. Isothermal titration calorimetry showed the sequential exothermic binding of two manganese ions in solution, with dissociation constants of 0.58 +/- 0.019 and 14 +/- 1.5 mM. These results are consistent with a two metal ion mechanism for the cleavage reaction, in which the hydrolytic water molecule is contained in the first coordination sphere of the site 1-bound metal ion.

  4. Reactive simulations of the activation barrier to dissolution of amorphous silica in water.

    PubMed

    Kagan, Michael; Lockwood, Glenn K; Garofalini, Stephen H

    2014-05-28

    Molecular dynamics simulations employing reactive potentials were used to determine the activation barriers to the dissolution of the amorphous SiO2 surface in the presence of a 2 nm overlayer of water. The potential of mean force calculations of the reactions of water molecules with 15 different starting Q4 sites (Qi is the Si site with i bridging oxygen neighbors) to eventually form the dissolved Q0 site were used to obtain the barriers. Activation barriers for each step in the dissolution process, from the Q4 to Q3 to Q2 to Q1 to Q0 were obtained. Relaxation runs between each reaction step enabled redistribution of the water above the surface in response to the new Qi site configuration. The rate-limiting step observed in the simulations was in both the Q32 reaction (a Q3 site changing to a Q2 site) and the Q21 reaction, each with an average barrier of ∼14.1 kcal mol(-1). However, the barrier for the overall reaction from the Q4 site to a Q0 site, averaged over the maximum barrier for each of the 15 samples, was 15.1 kcal mol(-1). This result is within the lower end of the experimental data, which varies from 14-24 kcal mol(-1), while ab initio calculations using small cluster models obtain values that vary from 18-39 kcal mol(-1). Constraints between the oxygen bridges from the Si site and the connecting silica structure, the presence of pre-reaction strained siloxane bonds, and the location of the reacting Si site within slight concave surface contours all affected the overall activation barriers.

  5. 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.

  6. Site-specific water quality guidelines: 1. Derivation approaches based on physicochemical, ecotoxicological and ecological data.

    PubMed

    van Dam, R A; Humphrey, C L; Harford, A J; Sinclair, A; Jones, D R; Davies, S; Storey, A W

    2014-01-01

    Generic water quality guidelines (WQGs) are developed by countries/regions as broad scale tools to assist with the protection of aquatic ecosystems from the impacts of toxicants. However, since generic WQGs cannot adequately account for the many environmental factors that may affect toxicity at a particular site, site-specific WQGs are often needed, especially for high environmental value ecosystems. The Australian and New Zealand Guidelines for Fresh and Marine Water Quality provide comprehensive guidance on methods for refining or deriving WQGs for site-specific purposes. This paper describes three such methods for deriving site-specific WQGs, namely: (1) using local reference water quality data, (2) using biological effects data from laboratory-based toxicity testing, and (3) using biological effects data from field surveys. Two case studies related to the assessment of impacts arising from mining operations in northern Australia are used to illustrate the application of these methods. Finally, the potential of several emerging methods designed to assess thresholds of ecological change from field data for deriving site-specific WQGs is discussed. Ideally, multiple lines of evidence approaches, integrating both laboratory and field data, are recommended for deriving site-specific WQGs. PMID:23846952

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. 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.

  13. Site-Resolved Measurement of Water-Protein Interactions by Solution NMR

    PubMed Central

    Nucci, Nathaniel V.; Pometun, Maxim S.; Wand, A. Joshua

    2010-01-01

    The interactions of biological macromolecules with water are fundamental to their structure, dynamics and function. Historically, characterization of the location and residence times of hydration waters of proteins in solution has been quite difficult. Confinement within the nanoscale interior of a reverse micelle slows water dynamics, allowing detection of global protein-water interactions using nuclear magnetic resonance techniques. Complications that normally arise from hydrogen exchange and long-range dipolar coupling are overcome by the nature of the reverse micelle medium. Characterization of the hydration of ubiquitin demonstrates that encapsulation within a reverse micelle allows detection of dozens of hydration waters. Comparison of nuclear Overhauser effects obtained in the laboratory and rotating frames indicate a considerable range of hydration water dynamics is present on the protein surface. In addition, an unprecedented clustering of different hydration dynamic classes of sites is evident. PMID:21196937

  14. Water-quality assessment of the Sacramento River basin, California : water quality of fixed sites, 1996-1998

    USGS Publications Warehouse

    Domagalski, Joseph L.; Dileanis, Peter D.

    2000-01-01

    Water-quality samples were collected from 12 sites in the Sacramento River Basin, Cali-fornia, from February 1996 through April 1998. Field measurements (dissolved oxygen, pH, specific conductance, alkalinity, and water tem-perature) were completed on all samples, and laboratory analyses were done for suspended sediments, nutrients, dissolved and particulate organic carbon, major ions, trace elements, and mercury species. Samples were collected at four types of locations on the Sacramento River?large tributaries to the Sacramento River, agricul-tural drainage canals, an urban stream, and a flood control channel. The samples were collected across a range of flow conditions representative of those sites during the timeframe of the study. The water samples from the Sacramento River indi-cate that specific conductance increases slightly downstream but that the water quality is indicative of dilute water. Water temperature of the Sacramento River increases below Shasta Lake during the spring and summer irrigation season owing to diversion of water out of the river and subsequent lower flow. All 12 sites had generally low concentrations of nutrients, but chlorophyll concentrations were not measured; therefore, the actual consequences of nutrient loading could not be adequately assessed. Concentrations of dis-solved organic carbon in samples from the Sacramento River and the major tributaries were generally low; the formation of trihalomethanes probably does not currently pose a problem when water from the Sacramento River and its major tributaries is chlorinated for drinking-water purposes. However, dissolved organic carbon concentrations were higher in the urban stream and in agricultural drainage canals, but were diluted upon mixing with the Sacramento River. The only trace element that currently poses a water-quality problem in the Sacramento River is mercury. A federal criterion for the protection of aquatic life was exceeded during this study, and floodwater

  15. Mutation at a Strictly Conserved, Active Site Tyrosine in the Copper Amine Oxidase Leads to Uncontrolled Oxygenase Activity

    SciTech Connect

    Chen, Zhi-wei; Datta, Saumen; DuBois, Jennifer L.; Klinman, Judith P.; Mathews, F. Scott

    2010-09-07

    The copper amine oxidases carry out two copper-dependent processes: production of their own redox-active cofactor (2,4,5-trihydroxyphenylalanine quinone, TPQ) and the subsequent oxidative deamination of substrate amines. Because the same active site pocket must facilitate both reactions, individual active site residues may serve multiple roles. We have examined the roles of a strictly conserved active site tyrosine Y305 in the copper amine oxidase from Hansenula polymorpha kinetically, spetroscopically (Dubois and Klinman (2006) Biochemistry 45, 3178), and, in the present work, structurally. While the Y305A enzyme is almost identical to the wild type, a novel, highly oxygenated species replaces TPQ in the Y305F active sites. This new structure not only provides the first direct detection of peroxy intermediates in cofactor biogenesis but also indicates the critical control of oxidation chemistry that can be conferred by a single active site residue.

  16. 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.

  17. Spatially selective reward site responses in tonically active neurons of the nucleus accumbens in behaving rats.

    PubMed

    Mulder, A B; Shibata, R; Trullier, O; Wiener, S I

    2005-05-01

    To study how hippocampal output signals conveying spatial and other contextual information might be integrated in the nucleus accumbens, tonically active accumbens neurons were recorded in three unrestrained rats as they performed spatial orientation tasks on an elevated round rotatable platform with four identical reward boxes symmetrically placed around the edge. The partially water-deprived rats were required to shuttle either between the pair of reward boxes indicated by beacon cues (lights in the boxes) or between the pair of boxes occupying particular locations in relation to environmental landmark cues. In 43/82 neurons, behaviorally correlated phasic modulations in discharge activity occurred, primarily prior to or after water was provided at the reward boxes. Twenty-two had inhibitory modulation, 12 excitatory, and nine were mixed excitatory and inhibitory. Although tonically active neurons (TANs) have rarely been reported in the rodent, the inhibitory and mixed responses correspond to previously reports in the macaque accumbens of tonically active neurons with activity correlated with reward delivery and, following conditioning, to sensory stimuli associated with rewards. Eighteen of the 43 tonically active accumbens neurons showed spatial selectivity, i.e., behaviorally correlated increases or decreases in firing rate were of different magnitudes at the respective reward boxes. This is the first demonstration that the configuration of environmental sensory cues associated with reward sites are also an effective stimulus for these neurons and that different neurons are selective for different places. These results are consistent with a role for the nucleus accumbens in the initiation of goal-directed displacement behaviors.

  18. Ice nucleation activity of bacteria isolated from cloud water

    NASA Astrophysics Data System (ADS)

    Joly, Muriel; Attard, Eléonore; Sancelme, Martine; Deguillaume, Laurent; Guilbaud, Caroline; Morris, Cindy E.; Amato, Pierre; Delort, Anne-Marie

    2013-05-01

    Some Gamma-Proteobacteria can catalyze ice formation thereby potentially contributing to the induction of precipitation in supercooled clouds and subsequently to bacterial deposition. Forty-four bacterial strains from cloud water were screened for their capacity to induce freezing. Seven strains (16%) were active at -8 °C or warmer and were identified as Pseudomonas syringae, Xanthomonas spp. and Pseudoxanthomonas sp. Phylogenetic analysis revealed that the P. syringae strains in clouds at the Puy de Dôme belonged to clades that are among the most infrequently detected in the environment, while widespread clades were absent suggesting some extent of selection or unusual biogeography of the bacteria at the sampling site. Three strains induced freezing at -3 °C while the others nucleated ice at -4 °C to -6 °C. The freezing profiles revealed that the peaks of activity were centered around -3.5 °C, -5 °C and/or -8.5 °C depending on the strain. The frequency of ice-nuclei (IN) per cell at -6 °C was generally below 0.5% and reached up to 4.2% in one strain. We estimated that clouds influenced by vegetated areas would carry between less than 1 and ˜500 bacterial IN mL-1 of water active between -3 °C and -10 °C depending on the season. These data will contribute to modeling the impact of bacterial IN on precipitation at regional scales.

  19. 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

  20. 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.

  1. 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.

  2. 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

  3. 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

  4. 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.

  5. 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

  6. 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

  7. An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.

    PubMed

    Loewen, Peter C; Carpena, Xavi; Vidossich, Pietro; Fita, Ignacio; Rovira, Carme

    2014-05-21

    Catalase peroxidases (KatG's) are bifunctional heme proteins that can disproportionate hydrogen peroxide (catalatic reaction) despite their structural dissimilarity with monofunctional catalases. Using X-ray crystallography and QM/MM calculations, we demonstrate that the catalatic reaction of KatG's involves deprotonation of the active-site Trp, which plays a role similar to that of the distal His in monofunctional catalases. The interaction of a nearby mobile arginine with the distal Met-Tyr-Trp essential adduct (in/out) acts as an electronic switch, triggering deprotonation of the adduct Trp.

  8. 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...

  9. 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.

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  14. 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)

  15. Sediment biogeochemistry and microbial activity at natural hydrocarbon seeps and at sites impacted by anthropogenic hydrocarbon discharges

    NASA Astrophysics Data System (ADS)

    Joye, S. B.; Sibert, R.; Battles, J.; Fields, L.; Kleindienst, S.; Crespo-Medina, M.; Hunter, K.; Meile, C. D.; Montoya, J. P.

    2013-12-01

    Natural hydrocarbon seeps occur along the seafloor where geologic faults facilitate transfer of deeply sourced fluids enriched in gas, oil, and dissolved organic matter through shallow sediments and into the water column. At natural seeps, microbial populations specialize in hydrocarbon degradation and rates of microbial activity, including sulfate reduction and anaerobic oxidation of methane, can be extremely high. As a result, the biogeochemical signature of sediments near areas of active natural seepage is distinct: high concentrations of metabolic end products, such as dissolved inorganic carbon and hydrogen sulfide, abound, and often, high dissolved inorganic carbon concentrations result in the precipitation of authigenic carbonate minerals. We examined microbial processes and biogeochemical signatures at two natural seeps, Green Canyon 600 and Mississippi Canyon 118. Higher and more frequent seepage loci at the Green Canyon 600 site led to more widespread hotspots of elevated microbial activity and distinct geochemistry. However, rates of microbial activity were comparable at the two sites in areas of active hydrocarbon seepage. The microbial communities at the two sites were surprisingly different. The second group of sites was impacted by anthropogenic hydrocarbon discharges instead of natural seepage. One site, Oceanus 26, lies near the Deepwater Horizon/Macondo wellhead and was impacted by weathered oil sedimentation during the Macondo discharge. The second set of impacted sites, noted as Taylor Energy, lie near a sunken platform and compromised riser, which have together resulted in persistent hydrocarbon discharge to the adjacent oceanic system for more than 6 years. Rates of microbial activity in the upper sediments at Oceanus 26 were depressed relative to activity in the deeper layers, suggesting inhibition by the presence of weathered oil or an microbial community unable to weather the carbon available in the layer. At the Taylor energy site

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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

  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.

  2. 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

  3. Active Site, Catalytic Cycle, and Iodination Reactions of Vanadium Iodoperoxidase: A Computational Study.

    PubMed

    Pacios, Luis F; Gálvez, Oscar

    2010-05-11

    A combined computational study using molecular surfaces and Poisson-Boltzmann electrostatic potentials for proteins and quantum calculations on complexes representing the vanadate cofactor throughout the catalytic cycle is employed to study the activity of vanadium iodoperoxidase (VIPO) from alga Laminaria digitata . A model structure of VIPO is compared with available crystal structures of chloroperoxidases (VClPOs) and bromoperoxidases (VBrPOs) focusing on properties of the active site that concern halogen specificity. It is found that VIPO displays distinctive features regarding electrostatic potentials at the site cavity and the local topography of the cavity entrance. Quantum calculations on cofactor stages throughout the catalytic cycle reveal that, while steps involving binding of hydrogen peroxide and halide oxidization agree with available data on VBrPO, final formation and subsequent release of hypohalous acid could follow a different pathway consisting of His476-assisted protonation of bonded hypoiodite and further displacement by a water molecule. Ab initio free energies of reaction computed to explore iodination of organic substrates predict strongly exoergonic reactions with HOI, whereas other possible iodination reagents give thermodynamically disfavored reactions.

  4. 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.

  5. 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.

  6. The controlled relay of multiple protons required at the active site of nitrogenase.

    PubMed

    Dance, Ian

    2012-07-01

    The enzyme nitrogenase, when reducing natural and unnatural substrates, requires large numbers of protons per chemical catalytic cycle. The active face of the catalytic site (the FeMo-cofactor, FeMo-co) is situated in a protein domain which is largely hydrophobic and anhydrous, and incapable of serial provision of multiple protons. Through detailed analysis of the high quality protein crystal structures available the characteristics of a chain of water molecules leading from the protein surface to a key sulfur atom (S3B) of FeMo-co are described. The first half of the water chain from the surface inwards is branched, slightly variable, and able to accommodate exogenous small molecules: this is dubbed the proton bay. The second half, from the proton bay to S3B, is comprised of a single chain of eight hydrogen bonded water molecules. This section is strictly conserved, and is intimately involved in hydrogen bonds with homocitrate, an essential component that chelates Mo. This is the proton wire, and a detailed Grotthuss mechanism for serial translocation of protons through this proton wire to S3B is proposed. This controlled serial proton relay from the protein surface to S3B is an essential component of the intramolecular hydrogenation paradigm for the complete chemical mechanisms of nitrogenase. Each proton reaching S3B, instigated by electron transfer to FeMo-co, becomes a hydrogen atom that migrates to other components of the active face of FeMo-co and to bound substrates and intermediates, allowing subsequent multiple proton transfers along the proton wire. Experiments to test the proposed mechanism of proton supply are suggested. The water chain in nitrogenase is comparable with the purported proton pumping pathway of cytochrome c oxidase.

  7. 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

  8. 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

  9. Controls on water drop volume at speleothem drip sites: An experimental study

    NASA Astrophysics Data System (ADS)

    Collister, Christopher; Mattey, David

    2008-09-01

    SummaryThe growth of speleothem under cave drip sites is closely related to local climate events and provides an increasingly important means of deciphering past climate change. Since calcite precipitation rates depend on the water discharge at the drip site, the drip rate and mass of water drops detaching from stalactites are fundamental controls on speleothem growth and we have investigated factors that control the volume of water drops in this environment. The classical investigations on the volume of falling water drops are reviewed but there have been no measurements of the volume of drops detaching from curved surfaces equivalent to tips of stalactites. In this study we have used an acoustic drop counting method to measure the variation of the mass of water drops detaching from tubes (representing 'soda straw' stalactites) and artificial stalactites with spherical terminations (representing massive stalactites) as a function of tube radius or surface curvature and the drip rate. The experimental method corroborates classical measurements of drop mass detaching from tubes and, for massive stalactites, we derive a simple empirical relationship between drop mass and radius of curvature of a spherical surface, based on 100,000 drop counts from artificial stalactites with 19 different radii ranging from 3.6 mm to 500 mm. The results of this study allow discharge to be calculated from drip interval measurements and provide a quantitative basis for theoretical modelling of speleothem growth from drip sites.

  10. 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)

  11. 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)

  12. 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.

  13. Using catalytic atom maps to predict the catalytic functions present in enzyme active sites.

    PubMed

    Nosrati, Geoffrey R; Houk, K N

    2012-09-18

    Catalytic atom maps (CAMs) are minimal models of enzyme active sites. The structures in the Protein Data Bank (PDB) were examined to determine if proteins with CAM-like geometries in their active sites all share the same catalytic function. We combined the CAM-based search protocol with a filter based on the weighted contact number (WCN) of the catalytic residues, a measure of the "crowdedness" of the microenvironment around a protein residue. Using this technique, a CAM based on the Ser-His-Asp catalytic triad of trypsin was able to correctly identify catalytic triads in other enzymes within 0.5 Å rmsd of the CAM with 96% accuracy. A CAM based on the Cys-Arg-(Asp/Glu) active site residues from the tyrosine phosphatase active site achieved 89% accuracy in identifying this type of catalytic functionality. Both of these CAMs were able to identify active sites across different fold types. Finally, the PDB was searched to locate proteins with catalytic functionality similar to that present in the active site of orotidine 5'-monophosphate decarboxylase (ODCase), whose mechanism is not known with certainty. A CAM, based on the conserved Lys-Asp-Lys-Asp tetrad in the ODCase active site, was used to search the PDB for enzymes with similar active sites. The ODCase active site has a geometry similar to that of Schiff base-forming Class I aldolases, with lowest aldolase rmsd to the ODCase CAM at 0.48 Å. The similarity between this CAM and the aldolase active site suggests that ODCase has the correct catalytic functionality present in its active site for the generation of a nucleophilic lysine. PMID:22909276

  14. Using Catalytic Atom Maps to Predict the Catalytic Functions Present in Enzyme Active Sites

    PubMed Central

    Nosrati, Geoffrey R.; Houk, K. N.

    2012-01-01

    Catalytic Atom Maps (CAMs) are minimal models of enzyme active sites. The structures in the Protein Data Bank (PDB) were examined to determine if proteins with CAM-like geometries in their active sites all share the same catalytic function. We combined the CAM-based search protocol with a filter based on the weighted contact number (WCN) of the catalytic residues, a measure of the “crowdedness” of the microenvironment around a protein residue. Using this technique, a CAM based on the Ser-His-Asp catalytic triad of trypsin was able to correctly identify catalytic triads in other enzymes within 0.5 Å RMSD of the Catalytic Atom Map with 96% accuracy. A CAM based on the Cys-Arg-(Asp/Glu) active site residues from the tyrosine phosphatase active site achieved 89% accuracy in identifying this type of catalytic functionality. Both of these Catalytic Atom Maps were able to identify active sites across different fold types. Finally, the PDB was searched to locate proteins with catalytic functionality similar to that present in the active site of orotidine 5′-monophosphate decarboxylase (ODCase), whose mechanism is not known with certainty. A CAM, based on the conserved Lys-Asp-Lys-Asp tetrad in the ODCase active site, was used to search the PDB for enzymes with similar active sites. The ODCase active site has a geometry similar to that of Schiff base-forming Class I aldolases, with lowest aldolase RMSD to the ODCase CAM at 0.48 Å. The similarity between this CAM and the aldolase active site suggests that ODCase has the correct catalytic functionality present in its active site for the generation of a nucleophilic lysine. PMID:22909276

  15. 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

  16. 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…

  17. 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 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...

  18. 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 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...

  19. 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 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...

  20. 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.

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

    PubMed

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

    2014-03-01

    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 that a selected subset of chemicals used in natural gas drilling operations and also 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 operations may result in elevated endocrine-disrupting chemical activity in surface and ground water.

  2. Molybdenum and tungsten oxygen transferases--and functional diversity within a common active site motif.

    PubMed

    Pushie, M Jake; Cotelesage, Julien J; George, Graham N

    2014-01-01

    Molybdenum and tungsten are the only second and third-row transition elements with a known function in living organisms. The molybdenum and tungsten enzymes show common structural features, with the metal being bound by a pyranopterin-dithiolene cofactor called molybdopterin. They catalyze a variety of oxygen transferase reactions coupled with two-electron redox chemistry in which the metal cycles between the +6 and +4 oxidation states usually with water, either product or substrate, providing the oxygen. The functional roles filled by the molybdenum and tungsten enzymes are diverse; for example, they play essential roles in microbial respiration, in the uptake of nitrogen in green plants, and in human health. Together, the enzymes form a superfamily which is among the most prevalent known, being found in all kingdoms of life. This review discusses what is known of the active site structures and the mechanisms, together with some recent insights into the evolution of these important enzyme systems.

  3. THE IMPACT OF GROUND WATER-SURFACE WATER INTERACTIONS ON CONTAMINANT TRANSPORT AT CONTAMINATED SITES

    EPA Science Inventory

    The purpose of this document is to provide an overview of the dynamics of chemical processes that govern contaminant transport and speciation during water exchange across the GW/SW transition zone. A conceptual model of the GW/SW transition zone is defined to serve as a starting...

  4. Parameterization of an Active Thermal Erosion Site, Caribou Creek, Alaska

    NASA Astrophysics Data System (ADS)

    Busey, R.; Bolton, W. R.; Cherry, J. E.; Hinzman, L. D.

    2012-12-01

    Thermokarst features are thought to be an important mechanism for landscape change in permafrost-dominated cold regions, but few such features have been incorporated into full featured landscape models. The root of this shortcoming is that historic observations are not detailed enough to parameterize a model, and the models typically do not include the relevant processes for thermal erosion. A new, dynamic thermokarst feature has been identified at the Caribou-Poker Creek Research Watershed (CPCRW) in the boreal forest of Interior Alaska. Located adjacent to a traditional use trail, this feature terminates directly in Caribou Creek. Erosion within the feature is driven predominantly by fluvial interflow. CPCRW is a Long-Term Ecological Research site underlain by varying degrees of relatively warm, discontinuous permafrost. This poster will describe the suite of measurements that have been undertaken to parameterize the ERODE model for this site, including thorough surveys, time lapse- and aerial photography, and 3-D structure from motion algorithms.

  5. Comparison of the mutagenic activity of XAD4 and blue rayon extracts of surface water and related drinking water samples.

    PubMed

    Kummrow, Fábio; Rech, Celia M; Coimbrão, Carlos A; Roubicek, Deborah A; Umbuzeiro, Gisela de A

    2003-11-10

    The combination of mutagenicity tests and selective extraction methodologies can be useful to indicate the possible classes of genotoxic organic contaminants in water samples. Treated and source water samples from two sites were analyzed: a river under the influence of an azo dye-processing plant discharge and a reservoir not directly impacted with industrial discharges, but contaminated with untreated domestic sewage. Organic extraction was performed in columns packed with XAD4 resin, that adsorbs a broad class of mutagenic compounds like polycyclic aromatic hydrocarbons (PAHs), arylamines, nitrocompounds, quinolines, antraquinones, etc., including the halogenated disinfection by-products; and with blue rayon that selectively adsorbs polycyclic planar structures. The organic extracts were tested for mutagenicity with the Salmonella assay using TA98 and TA100 strains and the potencies were compared. A protocol for cleaning the blue rayon fibers was developed and the efficiency of the reused fibers was analyzed with spiked samples. For the river water samples under the influence of the azo-type dye-processing plant, the mutagenicity was much higher for both blue rayon and XAD4 extracts when compared to the water from the reservoir not directly impacted with industrial discharges. For the drinking water samples, although both sites showed mutagenic responses with XAD4, only samples from the site under the influence of the industrial discharge showed mutagenic activity with the blue rayon extraction, suggesting the presence of polycyclic compounds in those samples. As expected, negative results were found with the blue rayon extracts of the drinking water collected from the reservoir not contaminated with industrial discharges. In this case, it appears that using the blue rayon to extract drinking water samples and comparing the results with the XAD resin extracts we were able to distinguish the mutagenicity caused by industrial contaminants from the halogenated

  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. 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…

  8. 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

  9. 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.

  10. Water modulation of stratum corneum chymotryptic enzyme activity and desquamation.

    PubMed

    Watkinson, A; Harding, C; Moore, A; Coan, P

    2001-09-01

    Exposure to a dry environment leads to depletion of water from the peripheral stratum corneum layers in a process dependent on the relative humidity (RH) and the intrinsic properties of the tissue. We hypothesized that by modulating the water content of the stratum corneum in the surface layers, RH effects the rate of desquamation by modulating the activity of the desquamatory enzymes, and specifically stratum corneum chymotryptic enzyme (SCCE). Using a novel air interface in vitro desquamatory model, we demonstrated RH-dependent corneocyte release with desquamatory rates decreasing below 80% RH. Application of 10% glycerol or a glycerol-containing moisturizing lotion further increased desquamation, even in humid conditions, demonstrating that water was the rate-limiting factor in the final stages of desquamation. Furthermore, even in humid conditions desquamation was sub-maximal. In situ stratum corneum SCCE activity showed a dependence on RH: activity was significantly higher at 100% than at 44% RH. Further increases in SCCE activity were induced by applying a 10% glycerol solution. Since SCCE, a water-requiring enzyme, must function in the water-depleted outer stratum corneum, we sought to determine whether this enzyme has a tolerance to lowered water activity. Using concentrated sucrose solutions to lower water activity, we analysed the activity of recombinant SCCE and compared it to that of trypsin and chymotrypsin. SCCE activity demonstrated a tolerance to water restriction, and this may be an adaptation to maintain enzyme activity even within the water-depleted stratum corneum intercellular space. Overall these findings support the concept that in the upper stratum corneum, RH modulates desquamation by its effect upon SCCE activity, and possibly other desquamatory hydrolases. In addition, SCCE may be adapted to function in the water-restricted stratum corneum intercellular space.

  11. 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.

  12. 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.

  13. Lavas from Active Boninite and Very Recent Basalt Eruptions at Two Submarine NE Lau Basin Sites

    NASA Astrophysics Data System (ADS)

    Rubin, K. H.; Embley, R. W.; Clague, D. A.; Resing, J. A.; Michael, P. J.; Keller, N. S.; Baker, E. T.

    2009-12-01

    Very young submarine lava flows were discovered at two sites in the NE Lau Basin during a May 2009 NSF-NOAA expedition. The multidisciplinary rapid response expedition was organized to investigate these sites based on chemical and physical water column signatures observed during a NOAA-led regional study in Nov. 2008. An active eruption was discovered and observed for 5 days in May 2009 at W. Mata volcano, just behind the northernmost segment of the Tofua arc. The ongoing eruption produced extrusive and pyroclastic deposits from multiple vents near the 1200m depth summit of the volcano. Lavas were sampled from the summit and volcano flanks using the ROV Jason II. The samples indicate that W. Mata is currently erupting orthopyroxene-clinopyroxene-olivine porphyritic boninite magmas, which is also the predominant rock composition elsewhere on the seamount. The youngest lavas are very fresh, highly vesicular (up to ~30%) and occur as predominantly pillow and lobate forms, sometimes mantled by very young pyroclastic deposits and/or thin chemical coatings of presumed microbial and/or inorganic origin. The coatings and pyroclast apron make it difficult to map the extent of the youngest deposits by visual indicators alone, so we are currently dating 7 well-distributed samples from the W. Mata summit by 210Po-210Pb chronology. Very preliminary age results indicate that samples collected near the active vents are <1 month old, although samples collected further afield erupted sometime between early 2009 and Fall 2008, implying either that active vents have migrated or that lavas flowed farther from the vents in earlier eruptive phases. Extremely fresh but no longer active lava flows were also discovered along 2 km of the NE Lau Spreading Center axis, at 1600m water depth. The highly vesicular and sparsely phyric basalts occur as a series of high effusion rate sheets and lobates at vent-proximal sites along the ridge axis, transitional to pillows in distal locations. Very

  14. Identification of ice nucleation active sites on feldspar dust particles.

    PubMed

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

    2015-03-19

    Mineral dusts originating from Earth's crust are known to be important atmospheric ice nuclei. In agreement with earlier studies, feldspar was found as the most active of the tested natural mineral dusts. Here we investigated in closer detail the reasons for its activity and the difference in the activity of the different feldspars. Conclusions are drawn from scanning electron microscopy, X-ray powder diffraction, infrared spectroscopy, and oil-immersion freezing experiments. K-feldspar showed by far the highest ice nucleation activity. Finally, we give a potential explanation of this effect, finding alkali-metal ions having different hydration shells and thus an influence on the ice nucleation activity of feldspar surfaces. PMID:25584435

  15. 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

  16. Water balance at a low-level radioactive-waste disposal site

    USGS Publications Warehouse

    Healy, R.W.; Gray, J.R.; De Vries, G. M.; Mills, P.C.

    1989-01-01

    The water balance at a low-level radioactive-waste disposal site in northwestern Illinois was studied from July 1982 through June 1984. Continuous data collection allowed estimates to be made for each component of the water-balance equation independent of other components. The average annual precipitation was 948 millimeters. Average annual evapotranspiration was estimated at 637 millimeters, runoff was 160 millimeters, change in water storage in a waste-trench cover was 24 millimeters, and deep percolation was 208 millimeters. The magnitude of the difference between precipitation and all other components (81 millimeters per year) indicates that, in a similar environment, the water-budget method would be useful in estimating evapotranspiration, but questionable for estimation of other components. Precipitation depth and temporal distribution had a very strong effect on all other components of the water-balance equation. Due to the variability of precipitation from year to year, it appears that two years of data are inadequate for characterization of the long-term average water balance at the site.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. Summary of inorganic compositional data for groundwater, soil-water, and surface-water samples collected at the Headgate Draw subsurface drip irrigation site, Johnson County, Wyoming

    USGS Publications Warehouse

    Geboy, Nicholas J.; Engle, Mark A.; Schroeder, Karl T.; Zupancic, John W.

    2011-01-01

    As part of a 5-year project on the impact of subsurface drip irrigation (SDI) application of coalbed-methane (CBM) produced waters, water samples were collected from the Headgate Draw SDI site in the Powder River Basin, Wyoming, USA. This research is part of a larger study to understand short- and long-term impacts on both soil and water quality from the beneficial use of CBM waters to grow forage crops through use of SDI. This document provides a summary of the context, sampling methodology, and quality assurance and quality control documentation of samples collected prior to and over the first year of SDI operation at the site (May 2008-October 2009). This report contains an associated database containing inorganic compositional data, water-quality criteria parameters, and calculated geochemical parameters for samples of groundwater, soil water, surface water, treated CBM waters, and as-received CBM waters collected at the Headgate Draw SDI site.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. Technical procedures for water resources: Volume 4, Deaf Smith County site, Texas: Environmental Field Program: Final draft

    SciTech Connect

    Not Available

    1987-08-01

    This volume contains Technical Procedures pursuant to the water Resources Site Study Plan: including Collection, Preservation, and Shipment of Ground-Water Samples; Inventory Current Water Use and Estimating Projected Water Use; Estimation of Precipitation Depth, Duration, Frequence; Estimation of Probable Maximum Precipitation; Calculation of Floodplains.

  9. 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.

  10. 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