The source, discharge, and chemical characteristics of water from Agua Caliente Spring, Palm Springs, California

USGS Publications Warehouse

Brandt, Justin; Catchings, Rufus D.; Christensen, Allen H.; Flint, Alan L.; Gandhok, Gini; Goldman, Mark R.; Halford, Keith J.; Langenheim, V.E.; Martin, Peter; Rymer, Michael J.; Schroeder, Roy A.; Smith, Gregory A.; Sneed, Michelle; Martin, Peter

2011-01-01

Agua Caliente Spring, in downtown Palm Springs, California, has been used for recreation and medicinal therapy for hundreds of years and currently (2008) is the source of hot water for the Spa Resort owned by the Agua Caliente Band of the Cahuilla Indians. The Agua Caliente Spring is located about 1,500 feet east of the eastern front of the San Jacinto Mountains on the southeast-sloping alluvial plain of the Coachella Valley. The objectives of this study were to (1) define the geologic structure associated with the Agua Caliente Spring; (2) define the source(s), and possibly the age(s), of water discharged by the spring; (3) ascertain the seasonal and longer-term variability of the natural discharge, water temperature, and chemical characteristics of the spring water; (4) evaluate whether water-level declines in the regional aquifer will influence the temperature of the spring discharge; and, (5) estimate the quantity of spring water that leaks out of the water-collector tank at the spring orifice.

Modeling the interactions of phthalocyanines in water: from the Cu(II)-tetrasulphonate to the metal-free phthalocyanine.

PubMed

Martín, Elisa I; Martínez, Jose M; Sánchez Marcos, Enrique

2011-01-14

A quantum and statistical study on the effects of the ions Cu(2+) and SO(3)(-) in the solvent structure around the metal-free phthalocyanine (H(2)Pc) is presented. We developed an ab initio interaction potential for the system CuPc-H(2)O based on quantum chemical calculations and studied its transferability to the H(2)Pc-H(2)O and [CuPc(SO(3))(4)](4-)-H(2)O interactions. The use of the molecular dynamics technique allows the determination of energetic and structural properties of CuPc, H(2)Pc, and [CuPc(SO(3))(4)](4-) in water and the understanding of the keys for the different behaviors of the three phthalocyanine (Pc) derivatives in water. The inclusion of the Cu(2+) cation in the Pc structure reinforces the appearance of two axial water molecules and second-shell water molecules in the solvent structure, whereas the presence of SO(3)(-) anions implies a well defined hydration shell of about eight water molecules around them making the macrocycle soluble in water. Debye-Waller factors for axial water molecules have been obtained in order to examine the potential sensitivity of the extended x-ray absorption fine structure technique to detect the axial water molecules.

Molecular dynamics studies of interfacial water at the alumina surface.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Argyris, Dr. Dimitrios; Ho, Thomas; Cole, David

2011-01-01

Interfacial water properties at the alumina surface were investigated via all-atom equilibrium molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated alumina surfaces were considered to assess the structural and dynamic behavior of the first few hydration layers in contact with the substrates. Density profiles suggest water layering up to {approx}10 {angstrom} from the solid substrate. Planar density distribution data indicate that water molecules in the first interfacial layer are organized in well-defined patterns dictated by the atomic terminations of the alumina surface. Interfacial water exhibits preferential orientation and delayed dynamics compared to bulk water. Water exhibits bulk-like behavior atmore » distances greater than {approx}10 {angstrom} from the substrate. The formation of an extended hydrogen bond network within the first few hydration layers illustrates the significance of water?water interactions on the structural properties at the interface.« less

A multi-scale ''soil water structure'' model based on the pedostructure concept

NASA Astrophysics Data System (ADS)

Braudeau, E.; Mohtar, R. H.; El Ghezal, N.; Crayol, M.; Salahat, M.; Martin, P.

2009-02-01

Current soil water models do not take into account the internal organization of the soil medium and, a fortiori, the physical interaction between the water film surrounding the solid particles of the soil structure, and the surface charges of this structure. In that sense they empirically deal with the physical soil properties that are all generated from this soil water-structure interaction. As a result, the thermodynamic state of the soil water medium, which constitutes the local physical conditions, namely the pedo-climate, for biological and geo-chemical processes in soil, is not defined in these models. The omission of soil structure from soil characterization and modeling does not allow for coupling disciplinary models for these processes with soil water models. This article presents a soil water structure model, Kamel®, which was developed based on a new paradigm in soil physics where the hierarchical soil structure is taken into account allowing for defining its thermodynamic properties. After a review of soil physics principles which forms the basis of the paradigm, we describe the basic relationships and functionality of the model. Kamel® runs with a set of 15 soil input parameters, the pedohydral parameters, which are parameters of the physically-based equations of four soil characteristic curves that can be measured in the laboratory. For cases where some of these parameters are not available, we show how to estimate these parameters from commonly available soil information using published pedotransfer functions. A published field experimental study on the dynamics of the soil moisture profile following a pounded infiltration rainfall event was used as an example to demonstrate soil characterization and Kamel® simulations. The simulated soil moisture profile for a period of 60 days showed very good agreement with experimental field data. Simulations using input data calculated from soil texture and pedotransfer functions were also generated and compared to simulations of the more ideal characterization. The later comparison illustrates how Kamel® can be used and adapt to any case of soil data availability. As physically based model on soil structure, it may be used as a standard reference to evaluate other soil-water models and also pedotransfer functions at a given location or agronomical situation.

Documentation of the Surface-Water Routing (SWR1) Process for modeling surface-water flow with the U.S. Geological Survey Modular Ground-Water Model (MODFLOW-2005)

USGS Publications Warehouse

Hughes, Joseph D.; Langevin, Christian D.; Chartier, Kevin L.; White, Jeremy T.

2012-01-01

A flexible Surface-Water Routing (SWR1) Process that solves the continuity equation for one-dimensional and two-dimensional surface-water flow routing has been developed for the U.S. Geological Survey three-dimensional groundwater model, MODFLOW-2005. Simple level- and tilted-pool reservoir routing and a diffusive-wave approximation of the Saint-Venant equations have been implemented. Both methods can be implemented in the same model and the solution method can be simplified to represent constant-stage elements that are functionally equivalent to the standard MODFLOW River or Drain Package boundary conditions. A generic approach has been used to represent surface-water features (reaches) and allows implementation of a variety of geometric forms. One-dimensional geometric forms include rectangular, trapezoidal, and irregular cross section reaches to simulate one-dimensional surface-water features, such as canals and streams. Two-dimensional geometric forms include reaches defined using specified stage-volume-area-perimeter (SVAP) tables and reaches covering entire finite-difference grid cells to simulate two-dimensional surface-water features, such as wetlands and lakes. Specified SVAP tables can be used to represent reaches that are smaller than the finite-difference grid cell (for example, isolated lakes), or reaches that cannot be represented accurately using the defined top of the model. Specified lateral flows (which can represent point and distributed flows) and stage-dependent rainfall and evaporation can be applied to each reach. The SWR1 Process can be used with the MODFLOW Unsaturated Zone Flow (UZF1) Package to permit dynamic simulation of runoff from the land surface to specified reaches. Surface-water/groundwater interactions in the SWR1 Process are mathematically defined to be a function of the difference between simulated stages and groundwater levels, and the specific form of the reach conductance equation used in each reach. Conductance can be specified directly or calculated as a function of the simulated wetted perimeter and defined reach bed hydraulic properties, or as a weighted combination of both reach bed hydraulic properties and horizontal hydraulic conductivity. Each reach can be explicitly coupled to a single specific groundwater-model layer or coupled to multiple groundwater-model layers based on the reach geometry and groundwater-model layer elevations in the row and column containing the reach. Surface-water flow between reservoirs is simulated using control structures. Surface-water flow between reaches, simulated by the diffusive-wave approximation, can also be simulated using control structures. A variety of control structures have been included in the SWR1 Process and include (1) excess-volume structures, (2) uncontrolled-discharge structures, (3) pumps, (4) defined stage-discharge relations, (5) culverts, (6) fixed- or movable-crest weirs, and (7) fixed or operable gated spillways. Multiple control structures can be implemented in individual reaches and are treated as composite flow structures. Solution of the continuity equation at the reach-group scale (a single reach or a user-defined collection of individual reaches) is achieved using exact Newton methods with direct solution methods or exact and inexact Newton methods with Krylov sub-space methods. Newton methods have been used in the SWR1 Process because of their ability to solve nonlinear problems. Multiple SWR1 time steps can be simulated for each MODFLOW time step, and a simple adaptive time-step algorithm, based on user-specified rainfall, stage, flow, or convergence constraints, has been implemented to better resolve surface-water response. A simple linear- or sigmoid-depth scaling approach also has been implemented to account for increased bed roughness at small surface-water depths and to increase numerical stability. A line-search algorithm also has been included to improve the quality of the Newton-step upgrade vector, if possible. The SWR1 Process has been benchmarked against one- and two-dimensional numerical solutions from existing one- and two-dimensional numerical codes that solve the dynamic-wave approximation of the Saint-Venant equations. Two-dimensional solutions test the ability of the SWR1 Process to simulate the response of a surface-water system to (1) steady flow conditions for an inclined surface (solution of Manning's equation), and (2) transient inflow and rainfall for an inclined surface. The one-dimensional solution tests the ability of the SWR1 Process to simulate a looped network with multiple upstream inflows and several control structures. The SWR1 Process also has been compared to a level-pool reservoir solution. A synthetic test problem was developed to evaluate a number of different SWR1 solution options and simulate surface-water/groundwater interaction. The solution approach used in the SWR1 Process may not be applicable for all surface-water/groundwater problems. The SWR1 Process is best suited for modeling long-term changes (days to years) in surface-water and groundwater flow. Use of the SWR1 Process is not recommended for modeling the transient exchange of water between streams and aquifers when local and convective acceleration and other secondary effects (for example, wind and Coriolis forces) are substantial. Dam break evaluations and two-dimensional evaluations of spatially extensive domains are examples where acceleration terms and secondary effects would be significant, respectively.

Nano-confined water in the interlayers of hydrocalumite: Reorientational dynamics probed by neutron spectroscopy and molecular dynamics computer simulations

NASA Astrophysics Data System (ADS)

Kalinichev, A. G.; Faraone, A.; Udovic, T.; Kolesnikov, A. I.; de Souza, N. R.; Reinholdt, M. X.; Kirkpatrick, R.

2008-12-01

Layered double hydroxides (LDHs, anionic clays) represent excellent model systems for detailed molecular- level studies of the structure, dynamics, and energetics of nano-confined water in mineral interlayers and nano-pores, because LDH interlayers can have a well-defined structures and contain H2O molecules and a wide variety of anions in structurally well-defined positions and coordinations. [Ca2Al(OH)6]Cl·2H2O, also known as hydrocalumite or Friedel's salt, has a well- ordered Ca,Al distribution in the hydroxide layer and a very high degree of H2O,Cl ordering in the interlayer. It is also one of the only LDH phase for which a single crystal structure refinement is available. Thus, it is currently the best model compound for understanding the structure and dynamical behavior of interlayer and surface species in other, less-ordered, LDHs. We investigated the structural and dynamic behavior of water in the interlayers of hydrocalumite using inelastic (INS) and quasielastic (QENS) neutron scattering and molecular dynamics computer simulations. The comperehensive neutron scattering studies were performed for one fully hydrated and one dehydrated sample of hydrocalumite using several complementary instruments (HFBS, DCS and FANS at NCNR; HRMECS and QENS at IPNS) at temperatures above and below the previously discovered order-disorder interlayer phase transition. Together the experimental and molecular modeling results capture the important details of the dynamics of nano-confined water and the effects of the orientational ordering of H2O molecules above and below the phase transition. They provide otherwise unobtainable experimental information about the transformation of H2O librational and diffusional modes across the order-disorder phase transition and significantly add to our current understanding of the structure and dynamics of water in LDH phases based on the earlier NMR, IR, X-ray, and calorimetric measurements. The approach can now be extended to probe the dynamics of nano-confined and interfacial water in more disordered phases (LDH, clays, cement, etc.), for which much less initial structural information is available.

A one-dimensional ice structure built from pentagons

NASA Astrophysics Data System (ADS)

Carrasco, Javier; Michaelides, Angelos; Forster, Matthew; Haq, Sam; Raval, Rasmita; Hodgson, Andrew

2009-05-01

Heterogeneous ice nucleation has a key role in fields as diverse as atmospheric chemistry and biology. Ice nucleation on metal surfaces affords an opportunity to watch this process unfold at the molecular scale on a well-defined, planar interface. A common feature of structural models for such films is that they are built from hexagonal arrangements of molecules. Here we show, through a combination of scanning tunnelling microscopy, infrared spectroscopy and density-functional theory, that about 1-nm-wide ice chains that nucleate on Cu(110) are not built from hexagons, but instead are built from a face-sharing arrangement of water pentagons. The pentagon structure is favoured over others because it maximizes the water-metal bonding while maintaining a strong hydrogen-bonding network. It reveals an unanticipated structural adaptability of water-ice films, demonstrating that the presence of the substrate can be sufficient to favour non-hexagonal structural units.

Dissolution Processes, Kinetics

EPA Science Inventory

Chemistry by its very nature is concerned with change. There are simple but significant interactions between air, water, and minerals that impact our natural environment. Minerals with well-defined structure are converted by various environmental chemical reactions into their e...

Planning attitudes, lay philosophies, and water allocation: A preliminary analysis and research agenda

NASA Astrophysics Data System (ADS)

Syme, Geoffrey J.; Nancarrow, Blair E.

Despite the important societal consequences of water policy, community attitudes toward planning, ethics, and equity for allocation of water have received little research attention. This preliminary research was conducted to assess the range and structure of planning attitudes and equity and ethical considerations which might be relevant to the general public's evaluation of water allocation systems. The relationship of these to priorities for water allocation were also examined. The results showed a complex structure for planning attitudes. There were also generalized but clearly defined community approaches to water allocation. A number of significant relationships between planning attitudes and philosophies of allocation were shown. Planning attitudes also related to priorities for water allocation. In practical terms the research provides some preliminary, ethically based evaluative criteria which could be applied to allocation decision-making systems. Theoretical research possibilities are also outlined.

Aquaporin water channels – from atomic structure to clinical medicine

PubMed Central

Agre, Peter; King, Landon S; Yasui, Masato; Guggino, Wm B; Ottersen, Ole Petter; Fujiyoshi, Yoshinori; Engel, Andreas; Nielsen, Søren

2002-01-01

The water permeability of biological membranes has been a longstanding problem in physiology, but the proteins responsible for this remained unknown until discovery of the aquaporin 1 (AQP1) water channel protein. AQP1 is selectively permeated by water driven by osmotic gradients. The atomic structure of human AQP1 has recently been defined. Each subunit of the tetramer contains an individual aqueous pore that permits single-file passage of water molecules but interrupts the hydrogen bonding needed for passage of protons. At least 10 mammalian aquaporins have been identified, and these are selectively permeated by water (aquaporins) or water plus glycerol (aquaglyceroporins). The sites of expression coincide closely with the clinical phenotypes – ranging from congenital cataracts to nephrogenic diabetes insipidus. More than 200 members of the aquaporin family have been found in plants, microbials, invertebrates and vertebrates, and their importance to the physiology of these organisms is being uncovered. PMID:12096044

Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS.

PubMed

Eklund, Lars; Hofer, Tomas S; Persson, Ingmar

2015-01-28

Theoretical ab initio quantum mechanical charge field molecular dynamics (QMCF MD) has been applied in conjunction with experimental large angle X-ray scattering (LAXS) and EXAFS measurements to study structure and dynamics of the hydrated oxo chloro anions chlorite, ClO2(-), chlorate, ClO3(-), and perchlorate, ClO4(-). In addition, the structures of the hydrated hypochlorite, ClO(-), bromate, BrO3(-), iodate, IO3(-) and metaperiodate, IO4(-), ions have been determined in aqueous solution by means of LAXS. The structures of the bromate, metaperiodate, and orthoperiodate, H2IO6(3-), ions have been determined by EXAFS as solid sodium salts and in aqueous solution as well. The results show clearly that the only form of periodate present in aqueous solution is metaperiodate. The Cl-O bond distances in the hydrated oxo chloro anions as determined by LAXS and obtained in the QMCF MD simulations are in excellent agreement, being 0.01-0.02 Å longer than in solid anhydrous salts due to hydration through hydrogen bonding to water molecules. The oxo halo anions, all with unit negative charge, have low charge density making them typical structure breakers, thus the hydrogen bonds formed to the hydrating water molecules are weaker and more short-lived than those between water molecules in pure water. The water exchange mechanism of the oxo chloro anions resembles those of the oxo sulfur anions with a direct exchange at the oxygen atoms for perchlorate and sulfate. The water exchange rate for the perchlorate ion is significantly faster, τ0.5 = 1.4 ps, compared to the hydrated sulfate ion and pure water, τ0.5 = 2.6 and 1.7 ps, respectively. The angular radial distribution functions show that the chlorate and sulfite ions have a more complex water exchange mechanism. As the chlorite and chlorate ions are more weakly hydrated than the sulfite ion the spatial occupancy is less well-defined and it is not possible to follow any well-defined migration pattern as it is difficult to distinguish between hydrating water molecules and bulk water in the region close to the ions.

Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS

PubMed Central

Eklund, Lars; Hofer, Tomas S.

2014-01-01

Theoretical ab initio quantum mechanical charge field molecular dynamics (QMCF MD) has been applied in conjunction with experimental large angle X-ray scattering (LAXS) and EXAFS measurements to study structure and dynamics of the hydrated oxo chloro anions chlorite, ClO2−, chlorate, ClO3−, and perchlorate, ClO4−. In addition, the structures of the hydrated hypochlorite, ClO−, bromate, BrO3−, iodate, IO3− and metaperiodate, IO4−, ions have been determined in aqueous solution by means of LAXS. The structures of the bromate, metaperiodate, and orthoperiodate, H2IO63−, ions have been determined by EXAFS as solid sodium salts and in aqueous solution as well. The results show clearly that the only form of periodate present in aqueous solution is metaperiodate. The Cl-O bond distances in the hydrated oxo chloro anions as determined by LAXS and obtained in the QMCF MD simulations are in excellent agreement, being 0.01–0.02 Å longer than in solid anhydrous salts due to hydration through hydrogen bonding to water molecules. The oxo halo anions, all with unit negative charge, have low charge density making them typical structure breakers, thus the hydrogen bonds formed to the hydrating water molecules are weaker and more short-lived than those between water molecules in pure water. The water exchange mechanism of the oxo chloro anions resembles those of the oxo sulfur anions with a direct exchange at the oxygen atoms for perchlorate and sulfate. The water exchange rate for the perchlorate ion is significantly faster, τ0.5=1.4 ps, compared to the hydrated sulfate ion and pure water, τ0.5=2.6 and 1.7 ps, respectively. The angular radial distribution functions show that the chlorate and sulfite ions have a more complex water exchange mechanism. As the chlorite and chlorate ions are more weakly hydrated than the sulfite ion the spatial occupancy is less well-defined and it is not possible to follow any well-defined migration pattern as it is difficult to distinguish between hydrating water molecules and bulk water in the region close to the ions. PMID:25473816

Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS

DOE PAGES

Eklund, Lars; Hofer, Tomas S.; Persson, Ingmar

2014-11-26

Theoretical ab initio quantum mechanical charge field molecular dynamics (QMCF MD) has been applied in conjunction with experimental large angle X-ray scattering (LAXS) and EXAFS measurements to study structure and dynamics of the hydrated oxo chloro anions chlorite, ClO 2 –, chlorate, ClO 3 –, and perchlorate, ClO 4 –. In addition, the structures of the hydrated hypochlorite, ClO –, bromate, BrO 3 –, iodate, IO 3 – and metaperiodate, IO 4 –, ions have been determined in aqueous solution by means of LAXS. The structures of the bromate, metaperiodate, and orthoperiodate, H 2IO 6 3–, ions have been determinedmore » by EXAFS as solid sodium salts and in aqueous solution as well. The results show clearly that the only form of periodate present in aqueous solution is metaperiodate. The Cl–O bond distances in the hydrated oxo chloro anions as determined by LAXS and obtained in the QMCF MD simulations are in excellent agreement, being 0.01–0.02 Å longer than in solid anhydrous salts due to hydration through hydrogen bonding to water molecules. The oxo halo anions, all with unit negative charge, have low charge density making them typical structure breakers, thus the hydrogen bonds formed to the hydrating water molecules are weaker and more short-lived than those between water molecules in pure water. The water exchange mechanism of the oxo chloro anions resembles those of the oxo sulfur anions with a direct exchange at the oxygen atoms for perchlorate and sulfate. Here, the water exchange rate for the perchlorate ion is significantly faster, τ 0.5 = 1.4 ps, compared to the hydrated sulfate ion and pure water, τ 0.5 = 2.6 and 1.7 ps, respectively. The angular radial distribution functions show that the chlorate and sulfite ions have a more complex water exchange mechanism. As the chlorite and chlorate ions are more weakly hydrated than the sulfite ion the spatial occupancy is less well-defined and it is not possible to follow any well-defined migration pattern as it is difficult to distinguish between hydrating water molecules and bulk water in the region close to the ions.« less

Separator assembly for use in spent nuclear fuel shipping cask

DOEpatents

Bucholz, James A.

1983-01-01

A separator assembly for use in a spent nuclear fuel shipping cask has a honeycomb-type wall structure defining parallel cavities for holding nuclear fuel assemblies. Tubes formed of an effective neutron-absorbing material are embedded in the wall structure around each of the cavities and provide neutron flux traps when filled with water.

The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery.

PubMed

Spyrakis, Francesca; Ahmed, Mostafa H; Bayden, Alexander S; Cozzini, Pietro; Mozzarelli, Andrea; Kellogg, Glen E

2017-08-24

The value of thoroughly understanding the thermodynamics specific to a drug discovery/design study is well known. Over the past decade, the crucial roles of water molecules in protein structure, function, and dynamics have also become increasingly appreciated. This Perspective explores water in the biological environment by adopting its point of view in such phenomena. The prevailing thermodynamic models of the past, where water was seen largely in terms of an entropic gain after its displacement by a ligand, are now known to be much too simplistic. We adopt a set of terminology that describes water molecules as being "hot" and "cold", which we have defined as being easy and difficult to displace, respectively. The basis of these designations, which involve both enthalpic and entropic water contributions, are explored in several classes of biomolecules and structural motifs. The hallmarks for characterizing water molecules are examined, and computational tools for evaluating water-centric thermodynamics are reviewed. This Perspective's summary features guidelines for exploiting water molecules in drug discovery.

Water adsorption on the Fe3O4(111) surface: dissociation and network formation.

PubMed

Zaki, Eman; Mirabella, Francesca; Ivars-Barceló, Francisco; Seifert, Jan; Carey, Spencer; Shaikhutdinov, Shamil; Freund, Hans-Joachim; Li, Xiaoke; Paier, Joachim; Sauer, Joachim

2018-06-13

We monitored adsorption of water on a well-defined Fe3O4(111) film surface at different temperatures as a function of coverage using infrared reflection-absorption spectroscopy, temperature programmed desorption, and single crystal adsorption calorimetry. Additionally, density functional theory was employed using a Fe3O4(111)-(2 × 2) slab model to generate 15 energy minimum structures for various coverages. Corresponding vibrational properties of the adsorbed water species were also computed. The results show that water molecules readily dissociate on regular surface Fetet1-O ion pairs to form "monomers", i.e., terminal Fe-OH and surface OH groups. Further water molecules adsorb on the hydroxyl covered surface non-dissociatively and form "dimers" and larger oligomers, which ultimately assemble into an ordered (2 × 2) hydrogen-bonded network structure with increasing coverage prior to the formation of a solid water film.

Development and application of a comprehensive simulation model to evaluate impacts of watershed structures and irrigation water use on streamflow and groundwater: The case of Wet Walnut Creek Watershed, Kansas, USA

USGS Publications Warehouse

Ramireddygari, S.R.; Sophocleous, M.A.; Koelliker, J.K.; Perkins, S.P.; Govindaraju, R.S.

2000-01-01

This paper presents the results of a comprehensive modeling study of surface and groundwater systems, including stream-aquifer interactions, for the Wet Walnut Creek Watershed in west-central Kansas. The main objective of this study was to assess the impacts of watershed structures and irrigation water use on streamflow and groundwater levels, which in turn affect availability of water for the Cheyenne Bottoms Wildlife Refuge Management area. The surface-water flow model, POTYLDR, and the groundwater flow model, MODFLOW, were combined into an integrated, watershed-scale, continuous simulation model. Major revisions and enhancements were made to the POTYLDR and MODFLOW models for simulating the detailed hydrologic budget for the Wet Walnut Creek Watershed. The computer simulation model was calibrated and verified using historical streamflow records (at Albert and Nekoma gaging stations), reported irrigation water use, observed water-level elevations in watershed structure pools, and groundwater levels in the alluvial aquifer system. To assess the impact of watershed structures and irrigation water use on streamflow and groundwater levels, a number of hypothetical management scenarios were simulated under various operational criteria for watershed structures and different annual limits on water use for irrigation. A standard 'base case' was defined to allow comparative analysis of the results of different scenarios. The simulated streamflows showed that watershed structures decrease both streamflows and groundwater levels in the watershed. The amount of water used for irrigation has a substantial effect on the total simulated streamflow and groundwater levels, indicating that irrigation is a major budget item for managing water resources in the watershed. (C) 2000 Elsevier Science B.V.This paper presents the results of a comprehensive modeling study of surface and groundwater systems, including stream-aquifer interactions, for the Wet Walnut Creek Watershed in west-central Kansas. The main objective of this study was to assess the impacts of watershed structures and irrigation water use on streamflow and groundwater levels, which in turn affect availability of water for the Cheyenne Bottoms Wildlife Refuge Management area. The surface-water flow model, POTYLDR, and the groundwater flow model, MODFLOW, were combined into an integrated, watershed-scale, continuous simulation model. Major revisions and enhancements were made to the POTYLDR and MODFLOW models for simulating the detailed hydrologic budget for the Wet Walnut Creek Watershed. The computer simulation model was calibrated and verified using historical streamflow records (at Albert and Nekoma gaging stations), reported irrigation water use, observed water-level elevations in watershed structure pools, and groundwater levels in the alluvial aquifer system. To assess the impact of watershed structures and irrigation water use on streamflow and groundwater levels, a number of hypothetical management scenarios were simulated under various operational criteria for watershed structures and different annual limits on water use for irrigation. A standard `base case' was defined to allow comparative analysis of the results of different scenarios. The simulated streamflows showed that watershed structures decrease both streamflows and groundwater levels in the watershed. The amount of water used for irrigation has a substantial effect on the total simulated streamflow and groundwater levels, indicating that irrigation is a major budget item for managing water resources in the watershed.A comprehensive simulation model that combines the surface water flow model POTYLDR and the groundwater flow model MODFLOW was used to study the impacts of watershed structures (e.g., dams) and irrigation water use (including stream-aquifer interactions) on streamflow and groundwater. The model was revised, enhanced, calibrated, and verified, then applied to evaluate the hydrologic budget for Wet Wal

Integrated exploration for low-temperature geothermal resources in the Honey Lake basin, California

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schimschal, U.

An integrated exploration study is presented to locate low-temperature geothermal reservoirs in the Honey Lake area of northern California. Regional studies to locate the geothermal resources included gravity, infrared, water-temperature, and water-quality analyses. Five anomalies were mapped from resistivity surveys. Additional study of three anomalies by temperature-gradient and seismic methods was undertaken to define structure and potential of the geothermal resource. The gravity data show a graben structure in the area. Seismic reflection data, indicate faults associated with surface-resistivity and temperature-gradient data. The data support the interpretation that the shallow reservoirs are replenished along the fault zones by deeply circulatingmore » heated meteoric waters.« less

Femtosecond movies of water near interfaces at sub-Angstrom resolution

NASA Astrophysics Data System (ADS)

Coridan, Robert; Hwee Lai, Ghee; Schmidt, Nathan; Abbamonte, Peter; Wong, Gerard C. L.

2010-03-01

The behavior of liquid water near interfaces with nanoscopic variations in chemistry influences a broad range of phenomena in biology. Using inelastic x-ray scattering (IXS) data from 3rd-generation synchrotron x-ray sources, we reconstruct the Greens function of liquid water, which describes the å-scale spatial and femtosecond-scale temporal evolution of density fluctuations. We extend this response function formalism to reconstruct the evolution of hydration structures near dynamic surfaces with different charge distributions, in order to define more precisely the molecular signature of hydrophilicity and hydrophobicity. Moreover, we investigate modifications to surface hydration structures and dynamics as the size of hydrophilic and hydrophobic patches are varied.

Integrated exploration for low-temperature geothermal resources in the Honey Lake Basin, California

USGS Publications Warehouse

Schimschal, U.

1991-01-01

An integrated exploration study is presented to locate low-temperature geothermal reservoirs in the Honey Lake area of northern California. Regional studies to locate the geothermal resources included gravity, infra-red, water-temperature, and water-quality analyses. Five anomalies were mapped from resistivity surveys. Additional study of three anomalies by temperature-gradient and seismic methods was undertaken to define structure and potential of the geothermal resource. The gravity data show a graben structure in the area. Seismic reflection data indicate faults associated with surface-resistivity and temperature-gradient data. The data support the interpretation that the shallow reservoirs are replenished along the fault zones by deeply circulating heated meteoric waters. -Author

Topsoil structure stability in a restored floodplain: Impacts of fluctuating water levels, soil parameters and ecosystem engineers.

PubMed

Schomburg, A; Schilling, O S; Guenat, C; Schirmer, M; Le Bayon, R C; Brunner, P

2018-10-15

Ecosystem services provided by floodplains are strongly controlled by the structural stability of soils. The development of a stable structure in floodplain soils is affected by a complex and poorly understood interplay of hydrological, physico-chemical and biological processes. This paper aims at analysing relations between fluctuating groundwater levels, soil physico-chemical and biological parameters on soil structure stability in a restored floodplain. Water level fluctuations in the soil are modelled using a numerical surface-water-groundwater flow model and correlated to soil physico-chemical parameters and abundances of plants and earthworms. Causal relations and multiple interactions between the investigated parameters are tested through structural equation modelling (SEM). Fluctuating water levels in the soil did not directly affect the topsoil structure stability, but indirectly through affecting plant roots and soil parameters that in turn determine topsoil structure stability. These relations remain significant for mean annual days of complete and partial (>25%) water saturation. Ecosystem functioning of a restored floodplain might already be affected by the fluctuation of groundwater levels alone, and not only through complete flooding by surface water during a flood period. Surprisingly, abundances of earthworms did not show any relation to other variables in the SEM. These findings emphasise that earthworms have efficiently adapted to periodic stress and harsh environmental conditions. Variability of the topsoil structure stability is thus stronger driven by the influence of fluctuating water levels on plants than by the abundance of earthworms. This knowledge about the functional network of soil engineering organisms, soil parameters and fluctuating water levels and how they affect soil structural stability is of fundamental importance to define management strategies of near-natural or restored floodplains in the future. Copyright © 2018 Elsevier B.V. All rights reserved.

Hydration structure of the barite (001)–water interface: Comparison of x-ray reflectivity with molecular dynamics simulations

DOE PAGES

Bracco, Jacquelyn N.; Lee, Sang Soo; Stubbs, Joanne E.; ...

2017-05-11

The three-dimensional structure of the barite (001)-water interface was studied using in situ specular and non-specular X-ray reflectivity (XR). Displacements of the barium and sulfate ions in the surface of a barite crystal and the interfacial water structure were defined in the analyses. The largest relaxations (0.13 Å lateral and 0.08 Å vertical) were observed for the barium and sulfate ions in the topmost unit cell layer, which diminished rapidly with depth. The best fit structure identified four distinct adsorbed species, which in comparison with molecular dynamics (MD) simulations, reveals that they are associated with positions of adsorbed water, eachmore » of which coordinates one or two surface ions (either barium, sulfate, or both). These water molecules also adsorb in positions consistent with those of bariums and sulfates in the bulk crystal lattice. These results demonstrate the importance of combining high resolution XR with MD simulations to fully describe the atomic structure of the hydrated mineral surface. As a result, the agreement between the results indicates both the uniqueness of the structural model obtained from the XR analysis and the accuracy of the force field used in the simulations.« less

Hydration structure of the barite (001)–water interface: Comparison of x-ray reflectivity with molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bracco, Jacquelyn N.; Lee, Sang Soo; Stubbs, Joanne E.

The three-dimensional structure of the barite (001)-water interface was studied using in situ specular and non-specular X-ray reflectivity (XR). Displacements of the barium and sulfate ions in the surface of a barite crystal and the interfacial water structure were defined in the analyses. The largest relaxations (0.13 Å lateral and 0.08 Å vertical) were observed for the barium and sulfate ions in the topmost unit cell layer, which diminished rapidly with depth. The best fit structure identified four distinct adsorbed species, which in comparison with molecular dynamics (MD) simulations, reveals that they are associated with positions of adsorbed water, eachmore » of which coordinates one or two surface ions (either barium, sulfate, or both). These water molecules also adsorb in positions consistent with those of bariums and sulfates in the bulk crystal lattice. These results demonstrate the importance of combining high resolution XR with MD simulations to fully describe the atomic structure of the hydrated mineral surface. As a result, the agreement between the results indicates both the uniqueness of the structural model obtained from the XR analysis and the accuracy of the force field used in the simulations.« less

Analysis and simulation of water-level, specific conductance, and total phosphorus dynamics of the Loxahatchee National Wildlife Refuge, Florida, 1995-2006

USGS Publications Warehouse

Conrads, Paul; Roehl, Edwin A.

2010-01-01

Two scenarios were simulated with the LOXANN DSS. One scenario increased the historical flows at four control structures by 40 percent. The second scenario used a user-defined hydrograph to set the outflow from the Refuge to the weekly average inflow to the Refuge delayed by 2 days. Both scenarios decreased the potential of canal water intruding into the marsh by decreasing the slope of the water level between the canals and the marsh.

Towards a microscopic description of the free-energy landscape of water.

PubMed

Prada-Gracia, Diego; Shevchuk, Roman; Hamm, Peter; Rao, Francesco

2012-10-14

Free-energy landscape theory is often used to describe complex molecular systems. Here, a microscopic description of water structure and dynamics based on configuration-space-networks and molecular dynamics simulations of the TIP4P/2005 model is applied to investigate the free-energy landscape of water. The latter is built on top of a large set of water microstates describing the kinetic stability of local hydrogen-bond arrangements up to the second solvation shell. In temperature space, the landscape displays three different regimes. At around ambient conditions, the free-energy surface is characterized by many short-lived basins of attraction which are structurally well-defined (inhomogeneous regime). At lower temperatures instead, the liquid rapidly becomes homogeneous. In this regime, the free energy is funneled-like, with fully coordinated water arrangements at the bottom of the funnel. Finally, a third regime develops below the temperature of maximal compressibility (Widom line) where the funnel becomes steeper with few interconversions between microstates other than the fully coordinated ones. Our results present a way to manage the complexity of water structure and dynamics, connecting microscopic properties to its ensemble behavior.

Environmental and Water Quality Operational Studies. Evaluating Changes in Dike Field Fishes with Community Information Indices.

DTIC Science & Technology

1983-06-01

large species lists into single numerical expressions. Species diversity is usually - defined as a function of the number of species (i.e. species...1958, Lloyd and Ghelardi 1964, Pielou 1969). The primary motivation * for calculating species diversity indices based on richness or abundance is...diversity was an intrinsic property in ecological processes and an important factor in defining ecosystem structure and function (McArthur 1955

Flow behaviour and structure of heterogeneous particles-water mixture in horizontal and inclined pipes

NASA Astrophysics Data System (ADS)

Vlasák, Pavel; Chára, Zdeněk; Konfršt, Jiří

2018-06-01

The effect of slurry velocity and mean concentration of heterogeneous particle-water mixture on flow behaviour and structure in the turbulent regime was studied in horizontal and inclined pipe sections of inner diameter D = 100 mm. The stratified flow pattern of heterogeneous particle-water mixture in the inclined pipe sections was revealed. The particles moved mostly near to the pipe invert. Concentration distribution in ascending and descending vertical pipe sections confirmed the effect of fall velocity on particle-carrier liquid slip velocity and increase of in situ concentration in the ascending pipe section. Slip velocity in two-phase flow, which is defined as the velocity difference between the solid and liquid phase, is one of mechanism of particle movement in two-phase flow. Due to the slip velocity, there is difference between transport and in situ concentrations, and the slip velocity can be determined from comparison of the in situ and transport concentration. For heterogeneous particle-water mixture flow the slip velocity depends on the flow structure.

Saltwater-barrier line in Florida : concepts, considerations, and site examples

USGS Publications Warehouse

Hughes, Jerry L.

1979-01-01

Construction of canals and enlargement of streams in Florida has been mostly to alleviate impact of floods and to drain wetlands for development. Land drainage and heavy pumpage from coastal water-table aquifers has degraded potable ground and surface water with saltwater. Control of saltwater intrusion is possible through implementation of certain hydrologic principles. State of Florida statute 373.033 provides for a saltwater-barrier line in areas of saltwater intrusion along canals. A saltwater-barrier line is defined as the allowable landward limit that a canal shall be constructed or enlarged or a stream deepened or enlarged without a salinity-control structure seaward of the saltwater-barrier line. The salinity control structure controls saltwater intrusion along a surface-water channel and assists in controlling saltwater intrusion into shallow aquifers. This report briefly reviews the fundamentals of saltwater intrusion in surface-water channels and associated coastal aquifers, describes the effects of established saltwater-barrier lines in Florida, and gives a history of the use and benefits of salinity-control structures. (Woodard-USGS).

Adaptive forest management for drinking water protection under climate change

NASA Astrophysics Data System (ADS)

Koeck, R.; Hochbichler, E.

2012-04-01

Drinking water resources drawn from forested catchment areas are prominent for providing water supply on our planet. Despite the fact that source waters stemming from forested watersheds have generally lower water quality problems than those stemming from agriculturally used watersheds, it has to be guaranteed that the forest stands meet high standards regarding their water protection functionality. For fulfilling these, forest management concepts have to be applied, which are adaptive regarding the specific forest site conditions and also regarding climate change scenarios. In the past century forest management in the alpine area of Austria was mainly based on the cultivation of Norway spruce, by the way neglecting specific forest site conditions, what caused in many cases highly vulnerable mono-species forest stands. The GIS based forest hydrotope model (FoHyM) provides a framework for forest management, which defines the most crucial parameters in a spatial explicit form. FoHyM stratifies the spacious drinking water protection catchments into forest hydrotopes, being operational units for forest management. The primary information layer of FoHyM is the potential natural forest community, which reflects the specific forest site conditions regarding geology, soil types, elevation above sea level, exposition and inclination adequately and hence defines the specific forest hydrotopes. For each forest hydrotope, the adequate tree species composition and forest stand structure for drinking water protection functionality was deduced, based on the plant-sociological information base provided by FoHyM. The most important overall purpose for the related elaboration of adaptive forest management concepts and measures was the improvement of forest stand stability, which can be seen as the crucial parameter for drinking water protection. Only stable forest stands can protect the fragile soil and humus layers and hence prevent erosion process which could endanger the water resources. Forest stands which are formed by a tree species set which conforms to the potential natural forest community are more stable than the currently wide-spread mono-species Norway spruce plantations, especially in times of climate change, where e.g. bark beetle infestations threat spruce with increased intensity. FoHyM also provides the relevant ecological boundary conditions for any estimation of climate change adaptations. The adaptation of the tree species distribution within each forest hydrotope to climate change conditions was fulfilled by the integration of climate change scenarios and the estimation of the eco-physiological characteristics of related tree species. Hence it was possible to define the tree species distribution related to a specific climate change scenario for each forest hydrotope. The silvicultural concepts and measures to accomplish the defined tree species distribution and forest stand structure for each forest hydrotope were defined and elaborated by taking the specific requirements of drinking water protection areas into account, what e.g. comprised the prohibition of the clear cut technique and the application of continuous cover forest management concepts. The overall purpose of these adaptive silvicultural concepts and techniques which were based on the application of FoHyM was the improvement of the water protection functionality of forest stands within drinking water protection zones.

Electrical and structural properties of ZnO synthesized via infiltration of lithographically defined polymer templates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang-Yong Nam; Stein, Aaron; Kisslinger, Kim

We investigate the electrical and structural properties of infiltration-synthesized ZnO. In-plane ZnO nanowire arrays with prescribed positional registrations are generated by infiltrating diethlyzinc and water vapor into lithographically defined SU-8 polymer templates and removing organic matrix by oxygen plasma ashing. Transmission electron microscopy reveals that homogeneously amorphous as-infiltrated polymer templates transform into highly nanocrystalline ZnO upon removal of organic matrix. Field-effect transistor device measurements show that the synthesized ZnO after thermal annealing displays a typical n-type behavior, ~1019 cm -3 carrier density, and ~0.1 cm 2 V -1 s -1 electron mobility, reflecting highly nanocrystalline internal structure. The results demonstratemore » the potential application of infiltration synthesis in fabricating metal oxide electronic devices.« less

Electrical and structural properties of ZnO synthesized via infiltration of lithographically defined polymer templates

DOE PAGES

Chang-Yong Nam; Stein, Aaron; Kisslinger, Kim; ...

2015-11-17

We investigate the electrical and structural properties of infiltration-synthesized ZnO. In-plane ZnO nanowire arrays with prescribed positional registrations are generated by infiltrating diethlyzinc and water vapor into lithographically defined SU-8 polymer templates and removing organic matrix by oxygen plasma ashing. Transmission electron microscopy reveals that homogeneously amorphous as-infiltrated polymer templates transform into highly nanocrystalline ZnO upon removal of organic matrix. Field-effect transistor device measurements show that the synthesized ZnO after thermal annealing displays a typical n-type behavior, ~1019 cm -3 carrier density, and ~0.1 cm 2 V -1 s -1 electron mobility, reflecting highly nanocrystalline internal structure. The results demonstratemore » the potential application of infiltration synthesis in fabricating metal oxide electronic devices.« less

Effects of integrated watershed management on livestock water productivity in water scarce areas in Ethiopia

NASA Astrophysics Data System (ADS)

Descheemaeker, Katrien; Mapedza, Everisto; Amede, Tilahun; Ayalneh, Wagnew

In the water scarce Lenche Dima watershed in the northern Ethiopian highlands community based integrated watershed management was implemented to fight land degradation, raise agricultural productivity and improve farmers’ livelihoods. The effects of two interventions, namely exclosures and water harvesting structures, were assessed based on data from farmers’ interviews, measurements of feed biomass production, and estimates of energy production and requirements. Water used for livestock feed production was obtained through simple soil water balance modelling. By protecting 40% of the rangelands, the water productivity of the feed increased by about 20%. This indicated that exclosure establishment could lead to similar improvements in livestock water productivity (LWP, defined as the ratio of livestock benefits over the water used in producing these). Water harvesting structures ensured year-round water availability in the homestead, which resulted in less energy used for walking to drinking points. A considerable amount of energy was thus saved, which could be used for livestock production and improved animal health without additional water use. Besides restoring regulating and supporting ecosystem services, both interventions led to a more efficient use of the scarce water resources for biomass and livestock production.

Ringin' the water bell: dynamic modes of curved fluid sheets

NASA Astrophysics Data System (ADS)

Kolinski, John; Aharoni, Hillel; Fineberg, Jay; Sharon, Eran

2015-11-01

A water bell is formed by fluid flowing in a thin, coherent sheet in the shape of a bell. Experimentally, a water bell is created via the impact of a cylindrical jet on a flat surface. Its shape is set by the splash angle (the separation angle) of the resulting cylindrically symmetric water sheet. The separation angle is altered by adjusting the height of a lip surrounding the impact point, as in a water sprinkler. We drive the lip's height sinusoidally, altering the separation angle, and ringin' the water bell. This forcing generates disturbances on the steady-state water bell that propagate forward and backward in the fluid's reference frame at well-defined velocities, and interact, resulting in the emergence of an interference pattern unique to each steady-state geometry. We analytically model these dynamics by linearizing the amplitude of the bell's response about the underlying curved geometry. This simple model predicts the nodal structure over a wide range of steady-state water bell configurations and driving frequencies. Due to the curved water bell geometry, the nodal structure is quite complex; nevertheless, the predicted nodal structure agrees extremely well with the experimental data. When we drive the bell beyond perturbative separation angles, the nodal locations surprisingly persist, despite the strikingly altered underlying water bell shape. At extreme driving amplitudes the water sheet assumes a rich variety of tortuous, non-convex shapes; nevertheless, the fluid sheet remains intact.

Anatomical features associated with water transport in imperforate tracheary elements of vessel-bearing angiosperms

PubMed Central

Sano, Yuzou; Morris, Hugh; Shimada, Hiroshi; Ronse De Craene, Louis P.; Jansen, Steven

2011-01-01

Background and Aims Imperforate tracheary elements (ITEs) in wood of vessel-bearing angiosperms may or may not transport water. Despite the significance of hydraulic transport for defining ITE types, the combination of cell structure with water transport visualization in planta has received little attention. This study provides a quantitative analysis of structural features associated with the conductive vs. non-conductive nature of ITEs. Methods Visualization of water transport was studied in 15 angiosperm species by dye injection and cryo-scanning electron microscopy. Structural features of ITEs were examined using light and electron microscopy. Key Results ITEs connected to each other by pit pairs with complete pit membranes contributed to water transport, while cells showing pit membranes with perforations up to 2 µm were hydraulically not functional. A close relationship was found between pit diameter and pit density, with both characters significantly higher in conductive than in non-conductive cells. In species with both conductive and non-conductive ITEs, a larger diameter was characteristic of the conductive cells. Water transport showed no apparent relationship with the length of ITEs and vessel grouping. Conclusions The structure and density of pits between ITEs represent the main anatomical characters determining water transport. The pit membrane structure of ITEs provides a reliable, but practically challenging, criterion to determine their conductive status. It is suggested that the term tracheids should strictly be used for conductive ITEs, while fibre-tracheids and libriform fibres are non-conductive. PMID:21385773

The 'upstream wake' of swimming and flying animals and its correlation with propulsive efficiency.

PubMed

Peng, Jifeng; Dabiri, John O

2008-08-01

The interaction between swimming and flying animals and their fluid environments generates downstream wake structures such as vortices. In most studies, the upstream flow in front of the animal is neglected. In this study, we demonstrate the existence of upstream fluid structures even though the upstream flow is quiescent or possesses a uniform incoming velocity. Using a computational model, the flow generated by a swimmer (an oscillating flexible plate) is simulated and a new fluid mechanical analysis is applied to the flow to identify the upstream fluid structures. These upstream structures show the exact portion of fluid that is going to interact with the swimmer. A mass flow rate is then defined based on the upstream structures, and a metric for propulsive efficiency is established using the mass flow rate and the kinematics of the swimmer. We propose that the unsteady mass flow rate defined by the upstream fluid structures can be used as a metric to measure and objectively compare the efficiency of locomotion in water and air.

Structured Water Layers Adjacent to Biological Membranes

PubMed Central

Higgins, Michael J.; Polcik, Martin; Fukuma, Takeshi; Sader, John E.; Nakayama, Yoshikazu; Jarvis, Suzanne P.

2006-01-01

Water amid the restricted space of crowded biological macromolecules and at membrane interfaces is essential for cell function, though the structure and function of this “biological water” itself remains poorly defined. The force required to remove strongly bound water is referred to as the hydration force and due to its widespread importance, it has been studied in numerous systems. Here, by using a highly sensitive dynamic atomic force microscope technique in conjunction with a carbon nanotube probe, we reveal a hydration force with an oscillatory profile that reflects the removal of up to five structured water layers from between the probe and biological membrane surface. Further, we find that the hydration force can be modified by changing the membrane fluidity. For 1,2-dipalmitoyl-sn-glycero-3-phosphocholine gel (Lβ) phase bilayers, each oscillation in the force profile indicates the force required to displace a single layer of water molecules from between the probe and bilayer. In contrast, 1,2-dipalmitoyl-sn-glycero-3-phosphocholine fluid (Lα) phase bilayers at 60°C and 1,2-dioleoyl-sn-glycero-3-phosphocholine fluid (Lα) phase bilayers at 24°C seriously disrupt the molecular ordering of the water and result predominantly in a monotonic force profile. PMID:16798815

High-definition polymeric membranes: construction of 3D lithographed channel arrays through control of natural building blocks dynamics.

PubMed

Speranza, Valentina; Trotta, Francesco; Drioli, Enrico; Gugliuzza, Annarosa

2010-02-01

The fabrication of well-defined interfaces is in high demand in many fields of biotechnologies. Here, high-definition membrane-like arrays are developed through the self-assembly of water droplets, which work as natural building blocks for the construction of ordered channels. Solution viscosity together with the dynamics of the water droplets can decide the final formation of three-dimensional well-ordered patterns resembling anodic structures, especially because solvents denser than water are used. Particularly, the polymer solution viscosity is demonstrated to be a powerful tool for control of the mobility of submerged droplets during the microfabrication process. The polymeric patterns are structured at very high levels of organization and exhibit well-established transport-surface property relationships, considered basics for any types of advanced biotechnologies.

Interfacial Properties of Thin Films of Poly(vinyl ether)s with Architectural Design in Water

NASA Astrophysics Data System (ADS)

Oda, Yukari; Itagaki, Nozomi; Sugimoto, Sin; Kawaguchi, Daisuke; Matsuno, Hisao; Tanaka, Keiji

Precise design of primary structure and architecture of polymers leads to the well-defined structure, unique physical properties, and excellent functions not only in the bulk but also at the interfaces. We here constructed functional polymer interfaces in water based on the architectural design of poly(vinyl ether)s with oxyethylene side-chains (POEVE). A branched polymer with POEVE parts was preferentially segregated at the air interface in the matrix of poly(methyl methacrylate). As an alternative way to prepare the POEVE surface, the cross-linked hydrogel thin films were prepared. The moduli of the hydrogel films near the water interfaces, which were examined by force-distance curve measurements using atomic force microscopy, were greatly sensitive to the cross-linking density of the polymers. Diffuse interfaces of POEVE chains at the water interface make it possible to prevent the platelet adhesion on the films.

Hydrogeochemical investigations in the Osgood mountains, north-central Nevada. Chapter B.

USGS Publications Warehouse

Wanty, Richard B.; Berger, Byron R.; Tuttle, Michele L.W.; Briggs, Paul H.; Meier, Allen L.; Crock, James G.; Stillings, Lisa L.

2006-01-01

Field investigations performed in the Osgood Mountains during the summers of 1999 and 2000 were designed to test methods of combining geologic, hydrologic, and geochemical investigations. The goals were to develop a more thorough understanding of the movement of water through the study area and to understand the water-rock reactions that may occur along flow paths. The Osgood Mountains were chosen for study because they represent a well-defined geologic system, based on existing and new field data. New work in the area focused on gathering more data about fractures, faults, and joints and on collecting water samples to evaluate the role of geologic structures on hydrologic and geochemical properties of the ground-water/surface-water system. Chemical methods employed in the study included measuring traditional field parameters (e.g., pH, temperature, conductivity, dissolved oxygen) as well as Fe2+ and collecting a variety of samples that were preserved for later laboratory analysis. Hydrologic methods included closely spaced evaluations of substream hydraulic head to define ground-water discharge and recharge zones as well as some measurements of stream discharge. Geologic investigations focused on the locations and orientations of fractures and kinematic indicators of slip observable in outcrops.

Design of a convective cooling system for a Mach 6 hypersonic transport airframe

NASA Technical Reports Server (NTRS)

Helenbrook, R. G.; Anthony, F. M.

1971-01-01

Results of analytical and design studies are presented for a water-glycol convective cooling system for the airframe structure of a hypersonic transport. System configurations and weights are compared. The influences of system pressure drop and flow control schedules on system weight are defined.

Proposal on a sustainable strategy to avoid point source pollution of water with plant protection products.

PubMed

Mestdagh, Inge; Bonicelli, Bernard; Laplana, Ramon; Roettele, Manfred

2009-01-01

Based on the results and lessons learned from the TOPPS project (Training the Operators to prevent Pollution from Point Sources), a proposal on a sustainable strategy to avoid point source pollution from Plant Protection Products (PPPs) was made. Within this TOPPS project (2005-2008), stakeholders were interviewed and research and analysis were done in 6 pilot catchment areas (BE, FR, DE, DK, IT, PL). Next, there was a repeated survey on operators' perception and opinion to measure changes resulting from TOPPS activities and good and bad practices were defined based on the Best Management Practices (risk analysis). Aim of the proposal is to suggest a strategy considering the differences between countries which can be implemented on Member State level in order to avoid PPP pollution of water through point sources. The methodology used for the up-scaLing proposal consists of the analysis of the current situation, a gap analysis, a consistency analysis and organisational structures for implementation. The up-scaling proposal focuses on the behaviour of the operators, on the equipment and infrastructure available with the operators. The proposal defines implementation structures to support correct behaviour through the development and updating of Best Management Practices (BMPs) and through the transfer and the implementation of these BMPs. Next, the proposal also defines requirements for the improvement of equipment and infrastructure based on the defined key factors related to point source pollution. It also contains cost estimates for technical and infrastructure upgrades to comply with BMPs.

A monomeric TIM-barrel structure from Pyrococcus furiosus is optimized for extreme temperatures.

PubMed

Repo, Heidi; Oeemig, Jesper S; Djupsjöbacka, Janica; Iwaï, Hideo; Heikinheimo, Pirkko

2012-11-01

The structure of phosphoribosyl anthranilate isomerase (TrpF) from the hyperthermophilic archaeon Pyrococcus furiosus (PfTrpF) has been determined at 1.75 Å resolution. The PfTrpF structure has a monomeric TIM-barrel fold which differs from the dimeric structures of two other known thermophilic TrpF proteins. A comparison of the PfTrpF structure with the two known bacterial thermophilic TrpF structures and the structure of a related mesophilic protein from Escherichia coli (EcTrpF) is presented. The thermophilic TrpF structures contain a higher proportion of ion pairs and charged residues compared with the mesophilic EcTrpF. These residues contribute to the closure of the central barrel and the stabilization of the barrel and the surrounding α-helices. In the monomeric PfTrpF conserved structural water molecules are mostly absent; instead, the structural waters are replaced by direct side-chain-main-chain interactions. As a consequence of these combined mechanisms, the P. furiosus enzyme is a thermodynamically stable and entropically optimized monomeric TIM-barrel enzyme which defines a good framework for further protein engineering for industrial applications.

Drinking Water Management and Governance in Canada: An Innovative Plan-Do-Check-Act (PDCA) Framework for a Safe Drinking Water Supply

NASA Astrophysics Data System (ADS)

Bereskie, Ty; Rodriguez, Manuel J.; Sadiq, Rehan

2017-08-01

Drinking water management in Canada is complex, with a decentralized, three-tiered governance structure responsible for safe drinking water throughout the country. The current approach has been described as fragmented, leading to governance gaps, duplication of efforts, and an absence of accountability and enforcement. Although there have been no major waterborne disease outbreaks in Canada since 2001, a lack of performance improvement, especially in small drinking water systems, is evident. The World Health Organization water safety plan approach for drinking water management represents an alternative preventative management framework to the current conventional, reactive drinking water management strategies. This approach has seen successful implementation throughout the world and has the potential to address many of the issues with drinking water management in Canada. This paper presents a review and strengths-weaknesses-opportunities-threats analysis of drinking water management and governance in Canada at the federal, provincial/territorial, and municipal levels. Based on this analysis, a modified water safety plan (defined as the plan-do-check-act (PDCA)-WSP framework) is proposed, established from water safety plan recommendations and the principles of PDCA for continuous performance improvement. This proposed framework is designed to strengthen current drinking water management in Canada and is designed to fit within and incorporate the existing governance structure.

Drinking Water Management and Governance in Canada: An Innovative Plan-Do-Check-Act (PDCA) Framework for a Safe Drinking Water Supply.

PubMed

Bereskie, Ty; Rodriguez, Manuel J; Sadiq, Rehan

2017-08-01

Drinking water management in Canada is complex, with a decentralized, three-tiered governance structure responsible for safe drinking water throughout the country. The current approach has been described as fragmented, leading to governance gaps, duplication of efforts, and an absence of accountability and enforcement. Although there have been no major waterborne disease outbreaks in Canada since 2001, a lack of performance improvement, especially in small drinking water systems, is evident. The World Health Organization water safety plan approach for drinking water management represents an alternative preventative management framework to the current conventional, reactive drinking water management strategies. This approach has seen successful implementation throughout the world and has the potential to address many of the issues with drinking water management in Canada. This paper presents a review and strengths-weaknesses-opportunities-threats analysis of drinking water management and governance in Canada at the federal, provincial/territorial, and municipal levels. Based on this analysis, a modified water safety plan (defined as the plan-do-check-act (PDCA)-WSP framework) is proposed, established from water safety plan recommendations and the principles of PDCA for continuous performance improvement. This proposed framework is designed to strengthen current drinking water management in Canada and is designed to fit within and incorporate the existing governance structure.

Effects of sea water on elongated duration of ground motion as well as variation in its amplitude for offshore earthquakes

NASA Astrophysics Data System (ADS)

Todoriki, Masaru; Furumura, Takashi; Maeda, Takuto

2017-01-01

We investigated the effects of sea water on the propagation of seismic waves using a 3-D finite-difference-method simulation of seismic wave propagation following offshore earthquakes. When using a 1-D layered structure, the simulation results showed strong S- to P-wave conversion at the sea bottom; accordingly, S-wave energy was dramatically decreased by the sea water layer. This sea water de-amplification effect had strong frequency dependence, therefore resembling a low-pass filter in which the cut-off frequency and damping coefficients were defined by the thickness of the sea water layer. The sea water also acted to elongate the duration of Rayleigh wave packet. The importance of the sea water layer in modelling offshore earthquakes was further demonstrated by a simulation using a realistic 3-D velocity structure model with and without sea water for a shallow (h = 14 km) outer-rise Nankai Trough event, the 2004 SE Off Kii Peninsula earthquake (Mw = 7.2). Synthetic seismograms generated by the model when sea water was included were in accordance with observed seismograms for long-term longer period motions, particularly those in the shape of Rayleigh waves.

Helicopter- and ship-based measurements of mesoscale ocean color and thermal features in the marginal ice zone

NASA Astrophysics Data System (ADS)

Tanis, Fred J.; Manley, Thomas O.; Mitchell, Brian G.

1990-09-01

Eddies along the Polar Front/Marginal Ice Zone (MIZ) in Fram Strait are thought to make important contributions to nutrient flux and stimulation of primary productivity. During the Coordinated Eastern Arctic Regional Experiment (CEAREX) helicopter-based measurements of upwelling radiance were made in four visible spectral bands and in the thermal IR across mesoscale features associated with the MIZ. These structures were mapped by flying a grid pattern over the ocean surface to define eddy boundaries. Subsequently, the area was also sampled vertically with CTD and spectral radiometer profilers. Data obtained from a single structure were integrated to construct a three dimensional picture of physical and optical properties. Volume modeling of temperature, salinity, and density fields obtained from CTD survey define the subsurface eddy structure and are in good agreement with infrared derived characteristics. Maximum temperature in the core was found to be four degrees higher than the surrounding water. Volume modeling further indicates that a subsurface layer of Arctic Intermediate Water is intrinsically associated with the surface expression of the eddy. The ratio of upwelling radiances, L(44l)/L(565), was found to be correlated to surface chlorophyll, particulate absorption coefficient, and in water determinations of L using the optical profiling system. The remote sensing reflectance ratio along with the IR sea surface temperature were found to be useful to detect the surface expression of the eddy and to indicate near surface biological and physical processes.

Summary of the San Juan structural basin regional aquifer-system analysis, New Mexico, Colorado, Arizona, and Utah

USGS Publications Warehouse

Levings, G.W.; Kernodle, J.M.; Thorn, C.R.

1996-01-01

Ground-water resources are the only source of water in most of the San Juan structural basin and are mainly used for municipal, industrial, domestic, and stock purposes. Industrial use increased dramatically during the late 1970's and early 1980's because of increased exploration and development of uranium and coal resources. The San Juan structural basin is a northwest-trending, asymmetric structural depression at the eastern edge of the Colorado Plateau. The basin contains as much as 14,000 feet of sedimentary rocks overlying a Precambrian basement complex. The sedimentary rocks dip basinward from the basin margins toward the troughlike structural center, or deepest part of the basin. Rocks of Triassic age were selected as the lower boundary for the study. The basin is well defined by structural boundaries in many places with structural relief of as much as 20,000 feet reported. Faulting is prevalent in parts of the basin with displacement of several thousand feet along major faults. The regional aquifers in the basin generally are coincident with the geologic units that have been mapped. Data on the hydrologic properties of the regional aquifers are minimal. Most data were collected on those aquifers associated with uranium and coal resource production. These data are summarized in table format in the report. The regional flow system throughout most of the basin has been affected by the production of oil or gas and subsequent disposal of produced brine. To date more than 26,000 oil- or gas- test holes have been drilled in the basin, the majority penetrating no deeper than the bottom of the Cretaceous rocks. The general water chemistry of the regional aquifers is based on available data. The depositional environments are the major factor controlling the quality of water in the units. The dominant ions are generally sodium, bicarbonate, and sulfate. A detailed geochemical study of three sandstone aquifers--Morrison, Dakota, and Gallup--was undertaken in the northwestern part of the study area. Results of this study indicate that water chemistry changed in individual wells over short periods of time, not expected in a regional flow system. The chemistry of the water is affected by mixing of recharge, ion filtrate, or very dilute ancient water, and by leakage of saline water. The entire system of ground-water flow and its controlling factors has been defined as the conceptual model. A steady-state, three-dimensional ground-water flow model was constructed to simulate modern predevelopment flow in the post-Jurassic rocks of the regional flow system. In the ground-water flow model, 14 geologic units or combinations of geologic units were considered to be regional aquifers, and 5 geologic units or combinations of geologic units were considered to be regional confining units. The model simulated flow in 12 layers (hydrostratigraphic units) and used harmonic-mean vertical leakance to indirectly simulate aquifer connection across 3 other hydrostratigraphic confining units in addition to coupling the 12 units.

Honeycomb-like PLGA- b-PEG Structure Creation with T-Junction Microdroplets.

PubMed

Gultekinoglu, Merve; Jiang, Xinyue; Bayram, Cem; Ulubayram, Kezban; Edirisinghe, Mohan

2018-06-04

Amphiphilic block copolymers are widely used in science owing to their versatile properties. In this study, amphiphilic block copolymer poly(lactic- co-glycolic acid)- block-poly(ethylene glycol) (PLGA- b-PEG) was used to create microdroplets in a T-junction microfluidic device with a well-defined geometry. To compare interfacial characteristics of microdroplets, dichloromethane (DCM) and chloroform were used to prepare PLGA- b-PEG solution as an oil phase. In the T-junction device, water and oil phases were manipulated at variable flow rates from 50 to 300 μL/min by increments of 50 μL/min. Fabricated microdroplets were directly collected on a glass slide. After a drying period, porous two-dimensional and three-dimensional structures were obtained as honeycomb-like structure. Pore sizes were increased according to increased water/oil flow rate for both DCM and chloroform solutions. Also, it was shown that increasing polymer concentration decreased the pore size of honeycomb-like structures at a constant water/oil flow rate (50:50 μL/min). Additionally, PLGA- b-PEG nanoparticles were also obtained on the struts of honeycomb-like structures according to the water solubility, volatility, and viscosity properties of oil phases, by the aid of Marangoni flow. The resulting structures have a great potential to be used in biomedical applications, especially in drug delivery-related studies, with nanoparticle forming ability and cellular responses in different surface morphologies.

Solvation structure of the halides from x-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antalek, Matthew; Hedman, Britt; Sarangi, Ritimukta, E-mail: ritis@slac.stanford.edu

2016-07-28

Three-dimensional models for the aqueous solvation structures of chloride, bromide, and iodide are reported. K-edge extended X-ray absorption fine structure (EXAFS) and Minuit X-ray absorption near edge (MXAN) analyses found well-defined single shell solvation spheres for bromide and iodide. However, dissolved chloride proved structurally distinct, with two solvation shells needed to explain its strikingly different X-ray absorption near edge structure (XANES) spectrum. Final solvation models were as follows: iodide, 8 water molecules at 3.60 ± 0.13 Å and bromide, 8 water molecules at 3.40 ± 0.14 Å, while chloride solvation included 7 water molecules at 3.15 ± 0.10 Å, andmore » a second shell of 7 water molecules at 4.14 ± 0.30 Å. Each of the three derived solvation shells is approximately uniformly disposed about the halides, with no global asymmetry. Time-dependent density functional theory calculations simulating the chloride XANES spectra following from alternative solvation spheres revealed surprising sensitivity of the electronic state to 6-, 7-, or 8-coordination, implying a strongly bounded phase space for the correct structure during an MXAN fit. MXAN analysis further showed that the asymmetric solvation predicted from molecular dynamics simulations using halide polarization can play no significant part in bulk solvation. Classical molecular dynamics used to explore chloride solvation found a 7-water solvation shell at 3.12 (−0.04/+0.3) Å, supporting the experimental result. These experiments provide the first fully three-dimensional structures presenting to atomic resolution the aqueous solvation spheres of the larger halide ions.« less

Infrared and infrared emission spectroscopic study of typical Chinese kaolinite and halloysite.

PubMed

Cheng, Hongfei; Frost, Ray L; Yang, Jing; Liu, Qinfu; He, Junkai

2010-12-01

The structure and thermal stability between typical Chinese kaolinite and halloysite were analysed by X-ray diffraction (XRD), infrared spectroscopy, infrared emission spectroscopy (IES) and Raman spectroscopy. Infrared emission spectroscopy over the temperature range of 300-700°C has been used to characterise the thermal decomposition of both kaolinite and halloysite. Halloysite is characterised by two bands in the water bending region at 1629 and 1648 cm(-1), attributed to structural water and coordinated water in the interlayer. Well defined hydroxyl stretching bands at around 3695, 3679, 3652 and 3625 cm(-1) are observed for both kaolinite and halloysite. The 550°C infrared emission spectrum of halloysite is similar to that of kaolinite in 650-1350 cm(-1) spectral region. The infrared emission spectra of halloysite were found to be considerably different to that of kaolinite at lower temperatures. These differences are attributed to the fundamental difference in the structure of the two minerals. Copyright © 2010 Elsevier B.V. All rights reserved.

Spatial organization and drivers of the virtual water trade: a community-structure analysis

NASA Astrophysics Data System (ADS)

D'Odorico, Paolo; Carr, Joel; Laio, Francesco; Ridolfi, Luca

2012-09-01

The trade of agricultural commodities can be associated with a virtual transfer of the local freshwater resources used for the production of these goods. Thus, trade of food products virtually transfers large amounts of water from areas of food production to far consumption regions, a process termed the ‘globalization of water’. We consider the (time-varying) community structure of the virtual water network for the years 1986-2008. The communities are groups of countries with dense internal connections, while the connections are sparser among different communities. Between 1986 and 2008, the ratio between virtual water flows within communities and the total global trade of virtual water has continuously increased, indicating the existence of well defined clusters of virtual water transfers. In some cases (e.g. Central and North America and Europe in recent years) the virtual water communities correspond to geographically coherent regions, suggesting the occurrence of an ongoing process of regionalization of water resources. However, most communities also include countries located on different ‘sides’ of the world. As such, geographic proximity only partly explains the community structure of virtual water trade. Similarly, the global distribution of people and wealth, whose effect on the virtual water trade is expressed through simple ‘gravity models’, is unable to explain the strength of virtual water communities observed in the past few decades. A gravity model based on the availability of and demand for virtual water in different countries has higher explanatory power, but the drivers of the virtual water fluxes are yet to be adequately identified.

The Water Framework Directive: total environment or political compromise?

PubMed

Moss, Brian

2008-08-01

The European Water Framework Directive (2000/60/EC) is potentially ground-breaking legislation. It seeks to bring about improvement of aquatic habitats in Europe to 'good ecological status', defined as slightly different from 'high ecological status', with no or minimal human impact. The characteristics of pristine ecological status include nutrient parsimony, a defined characteristic structure of the system (including geomorphological structure and hydrology, biological and food web structure) and the connectivity and extent of the system that are essential for resilience to change. This modern ecological understanding is being ignored by government agencies charged with enacting the Directive. Schemes are being devised that measure secondary characteristics of habitats using approaches drawn from traditional water quality management. Typologies, indicated by the Directive to give a geographical basis within which to determine ecological status, are also being corrupted with different typologies used for different determinands. The ecological reality of reasonably distinctive, integrated systems (an erosive upland river versus a floodplain system, for example) is being avoided. Emphasis is being placed on precision of measurement of specific determinands rather than accuracy in what is being measured and proposed schemes are complex and expensive when accurate assessment could be carried out much more cheaply. Many are also likely to become redundant as effects of climate change take hold. The current approach will lead to some improvement in water quality but not to the fundamental change in ecological quality intended by the Directive and has partly been encouraged by lack of definition and contradictions within the Directive itself. Documented details currently available from the UK agencies are used to illustrate how the intentions of the Directive are being undermined for ostensibly political convenience through processes of redefinition and limitation of characteristics measured. There appears to be a parallel concern among official and non-governmental European bodies.

Relationships between residue Voronoi volume and sequence conservation in proteins.

PubMed

Liu, Jen-Wei; Cheng, Chih-Wen; Lin, Yu-Feng; Chen, Shao-Yu; Hwang, Jenn-Kang; Yen, Shih-Chung

2018-02-01

Functional and biophysical constraints can cause different levels of sequence conservation in proteins. Previously, structural properties, e.g., relative solvent accessibility (RSA) and packing density of the weighted contact number (WCN), have been found to be related to protein sequence conservation (CS). The Voronoi volume has recently been recognized as a new structural property of the local protein structural environment reflecting CS. However, for surface residues, it is sensitive to water molecules surrounding the protein structure. Herein, we present a simple structural determinant termed the relative space of Voronoi volume (RSV); it uses the Voronoi volume and the van der Waals volume of particular residues to quantify the local structural environment. RSV (range, 0-1) is defined as (Voronoi volume-van der Waals volume)/Voronoi volume of the target residue. The concept of RSV describes the extent of available space for every protein residue. RSV and Voronoi profiles with and without water molecules (RSVw, RSV, VOw, and VO) were compared for 554 non-homologous proteins. RSV (without water) showed better Pearson's correlations with CS than did RSVw, VO, or VOw values. The mean correlation coefficient between RSV and CS was 0.51, which is comparable to the correlation between RSA and CS (0.49) and that between WCN and CS (0.56). RSV is a robust structural descriptor with and without water molecules and can quantitatively reflect evolutionary information in a single protein structure. Therefore, it may represent a practical structural determinant to study protein sequence, structure, and function relationships. Copyright © 2017 Elsevier B.V. All rights reserved.

Electrical and structural properties of ZnO synthesized via infiltration of lithographically defined polymer templates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nam, Chang-Yong, E-mail: cynam@bnl.gov; Stein, Aaron; Kisslinger, Kim

We investigate the electrical and structural properties of infiltration-synthesized ZnO. In-plane ZnO nanowire arrays with prescribed positional registrations are generated by infiltrating diethlyzinc and water vapor into lithographically defined SU-8 polymer templates and removing organic matrix by oxygen plasma ashing. Transmission electron microscopy reveals that homogeneously amorphous as-infiltrated polymer templates transform into highly nanocrystalline ZnO upon removal of organic matrix. Field-effect transistor device measurements show that the synthesized ZnO after thermal annealing displays a typical n-type behavior, ∼10{sup 19 }cm{sup −3} carrier density, and ∼0.1 cm{sup 2} V{sup −1} s{sup −1} electron mobility, reflecting highly nanocrystalline internal structure. The results demonstrate themore » potential application of infiltration synthesis in fabricating metal oxide electronic devices.« less

Structural rearrangement and dispersion of functionalized graphene sheets in aqueous solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Yun Jung; Huang, Liwei; Wang, Howard

2015-09-01

Surfactants are widely used for dispersing graphene and functionalized graphene sheets (FGS) in colloidal suspensions, but there have been few studies of the structure of the dispersed graphene-surfactant complexes in suspension and of their time evolution. Here, we combine experimental study of efficiencies of ionic surfactants/polymers in suspending FGS in water with characterization using atomic force microscopy, small angle neutron scattering, and molecular simulations to probe the detailed structures of FGSs. A systematic study of FGS dispersions using ionic surfactants with varying chain lengths revealed that the effective charge density of surfactant layer defines the concentration of dispersed FGS whilemore » the strength of interfacial binding defines the stability of graphene dispersion over long time aging. Ionic surfactants with strong interfacial binding and large molecular weight increase the dispersing power by over an order of magnitude.« less

Scientific or rule-of-thumb techniques of ground-water management--Which will prevail?

USGS Publications Warehouse

McGuinness, Charles Lee

1969-01-01

Emphasis in ground-water development, once directed largely to quantitatively minor (but sociologically vital) service of human and stock needs, is shifting: aquifers are treated as possible regulating reservoirs managed conjunctively with surface water. Too, emphasis on reducing stream pollution is stimulating interest in aquifers as possible waste-storage media. Such management of aquifers requires vast amounts of data plus a much better understanding of aquifer-system behavior than now exists. Implicit in this deficiency of knowledge is a need for much new research, lest aquifers be managed according to ineffective rule-of-thumb standards, or even abandoned as unmanageable. The geohydrologist's task is to define both internal and boundary characteristics of aquifer systems. Stratigraphy is a primary determinant of these characteristics, but stratigraphically minor features may make aquifers transcend stratigraphic boundaries. For example, a structurally insignificant fracture may carry more water than a major fault; a minor stratigraphic discontinuity may be a major hydrologic boundary. Hence, there is a need for ways of defining aquifer boundaries and quantifying aquifer and confining-bed characteristics that are very different from ordinary stratigraphic techniques. Among critical needs are techniques for measuring crossbed permeability; for extrapolating and interpolating point data on direction and magnitude of permeability in defining aquifer geometry; and for accurately measuring geochemical properties of water and aquifer material, and interpreting those measurements in terms of source of water, rate of movement, and waste-sorbing capacities of aquifers and of confining beds--in general, techniques adequate for predicting aquifer response to imposed forces whether static, hydraulic, thermal, or chemical. Only when such predictions can be made routinely can aquifer characteristics be inserted into a master model that incorporates both the hydrologic and the socioeconomic facts necessary to intelligent social actions involving water.

Condensing Heat Exchanger with Hydrophilic Antimicrobial Coating

NASA Technical Reports Server (NTRS)

Thomas, Christopher M. (Inventor); Ma, Yonghui (Inventor)

2014-01-01

A multi-layer antimicrobial hydrophilic coating is applied to a substrate of anodized aluminum, although other materials may form the substrate. A silver layer is sputtered onto a thoroughly clean anodized surface of the aluminum to about 400 nm thickness. A layer of crosslinked, silicon-based macromolecular structure about 10 nm thickness overlies the silver layer, and the outermost surface of the layer of crosslinked, silicon-based macromolecular structure is hydroxide terminated to produce a hydrophilic surface with a water drop contact angle of less than 10.degree.. The coated substrate may be one of multiple fins in a condensing heat exchanger for use in the microgravity of space, which has narrow channels defined between angled fins such that the surface tension of condensed water moves water by capillary flow to a central location where it is pumped to storage. The antimicrobial coating prevents obstruction of the capillary passages.

Biological plywood film formation from para-nematic liquid crystalline organization.

PubMed

Aguilar Gutierrez, Oscar F; Rey, Alejandro D

2017-11-15

In vitro non-equilibrium chiral phase ordering processes of biomacromolecular solutions offer a systematic and reproducible way of generating material architectures found in Nature, such as biological plywoods. Accelerated progress in biomimetic engineering of mesoscopic plywoods and other fibrous structures requires a fundamental understanding of processing and transport principles. In this work we focus on collagen I based materials and structures to find processing conditions that lead to defect-free collagen films displaying the helicoidal plywood architecture. Here we report experimentally-guided theory and simulations of the chiral phase ordering of collagen molecules through water solvent evaporation of pre-aligned dilute collagen solutions. We develop, implement and a posteriori validate an integrated liquid crystal chiral phase ordering-water transport model that captures the essential features of spatio-temporal chiral structure formation in shrinking film domains due to directed water loss. Three microstructural (texture) modes are identified depending on the particular value of the time-scale ratio defined by collagen rotational diffusion to water translational diffusion. The magnitude of the time scale ratio provides the conditions for the synchronization of the helical axis morphogenesis with the increase in the mesogen concentration due to water loss. Slower than critical water removal rates leads to internal multiaxial cellular patterns, reminiscent of the classical columnar-equiaxed metallurgical casting structures. Excessive water removal rates lead to destabilization of the chiral axis and multidomain defected films. The predictions of the integrated model are in qualitative agreement with experimental results and can potentially guide solution processing of other bio-related mesogenic solutions that seek to mimic the architecture of biological fibrous composites.

Soil Water Retention as Indicator for Soil Physical Quality - Examples from Two SoilTrEC European Critical Zone Observatories

NASA Astrophysics Data System (ADS)

Rousseva, Svetla; Kercheva, Milena; Shishkov, Toma; Dimitrov, Emil; Nenov, Martin; Lair, Georg J.; Moraetis, Daniel

2014-05-01

Soil water retention is of primary importance for majority of soil functions. The characteristics derived from Soil Water Retention Curve (SWRC) are directly related to soil structure and soil water regime and can be used as indicators for soil physical quality. The aim of this study is to present some parameters and relationships based on the SWRC data from the soil profiles characterising the European SoilTrEC Critical Zone Observatories Fuchsenbigl and Koiliaris. The studied soils are representative for highly productive soils managed as arable land in the frame of soil formation chronosequence at "Marchfeld" (Fuchsenbigl CZO), Austria and heavily impacted soils during centuries through intensive grazing and farming, under severe risk of desertification in context of climatic and lithological gradient at Koiliaris, Crete, Greece. Soil water retention at pF ≤ 2.52 was determined using the undisturbed soil cores (100 cm3 and 50 cm3) by a suction plate method. Water retention at pF = 4.2 was determined by a membrane press method and at pF ≥ 5.6 - by adsorption of water vapour at controlled relative humidity, both using ground soil samples. The soil physical quality parameter (S-parameter) was defined as the slope of the water retention curve at its inflection point (Dexter, 2006), determined with the obtained parameters of van Genuhten (1980) water retention equation. The S-parameter values were categorised to assess soil physical quality as follows: S < 0.020 very poor, 0.020 ≤ S < 0.035 poor, 0.035 ≤ S < 0.050 good, S ≥ 0.050 very good (Dexter, 2004). The results showed that most of the studied topsoil horizons have good physical quality according to both the S-parameter and the Plant-Available Water content (PAW), with the exception of the soils from croplands at CZO Fuxenbigl (F4, F5) which are with poor soil structure. The link between the S-parameter and the indicator of soil structure stability (water stable soil aggregates with size 1-3 mm) is not well defined. The scattering is due to high values of S in subsoil, which does not always coincide with favourable physical properties, as it can be seen from the relationship with the PAW content. It was found that values of S ≥ 0.05 correspond to PAW > 20 % vol. in the topsoil horizons. The high values of S in subsoil horizons are due to the low PAW and restrict the application of the S categories in these cases. Well defined links are found between the PAW content and the S-parameter when the data from the topsoil horizons are grouped in 2 groups according to the ratio between air-filled pores (at pF 2.52) and plant available water: <2 and ≥ 2. The authors acknowledge gratefully the European Commission Research Directorate-General for funding the SoilTrEC project (Contract No 244118) under its 7th Framework Programme.

Wheels and Tracks in Snow. Validation Study of the CRREL Shallow Snow Mobility Model

DTIC Science & Technology

1990-11-01

define g. an insignificant effect on T we plotted all of the for a vehicle by traction data for the wheels/ fracks vehicles, and for the CIV, against...divided by the number of depth, structure, water content, temperature, and contact points and the average contact area of these even type and strength

Conducting LaAlO3/SrTiO3 heterointerfaces on atomically-flat substrates prepared by deionized-water

PubMed Central

Connell, J. G.; Nichols, J.; Gruenewald, J. H.; Kim, D.-W.; Seo, S. S. A.

2016-01-01

We have investigated how the recently-developed water-leaching method for atomically-flat SrTiO3 (STO) substrates affects the transport properties of LaAlO3 (LAO) and STO heterointerfaces. Using pulsed laser deposition at identical growth conditions, we have synthesized epitaxial LAO thin-films on two different STO substrates, which are prepared by water-leaching and buffered hydrofluoric acid (BHF) etching methods. The structural, transport, and optical properties of LAO/STO heterostructures grown on water-leached substrates show the same high-quality as the samples grown on BHF-etched substrates. These results indicate that the water-leaching method can be used to grow complex oxide heterostructures with atomically well-defined heterointerfaces without safety concerns. PMID:27033248

Data model and relational database design for the New Jersey Water-Transfer Data System (NJWaTr)

USGS Publications Warehouse

Tessler, Steven

2003-01-01

The New Jersey Water-Transfer Data System (NJWaTr) is a database design for the storage and retrieval of water-use data. NJWaTr can manage data encompassing many facets of water use, including (1) the tracking of various types of water-use activities (withdrawals, returns, transfers, distributions, consumptive-use, wastewater collection, and treatment); (2) the storage of descriptions, classifications and locations of places and organizations involved in water-use activities; (3) the storage of details about measured or estimated volumes of water associated with water-use activities; and (4) the storage of information about data sources and water resources associated with water use. In NJWaTr, each water transfer occurs unidirectionally between two site objects, and the sites and conveyances form a water network. The core entities in the NJWaTr model are site, conveyance, transfer/volume, location, and owner. Other important entities include water resource (used for withdrawals and returns), data source, permit, and alias. Multiple water-exchange estimates based on different methods or data sources can be stored for individual transfers. Storage of user-defined details is accommodated for several of the main entities. Many tables contain classification terms to facilitate the detailed description of data items and can be used for routine or custom data summarization. NJWaTr accommodates single-user and aggregate-user water-use data, can be used for large or small water-network projects, and is available as a stand-alone Microsoft? Access database. Data stored in the NJWaTr structure can be retrieved in user-defined combinations to serve visualization and analytical applications. Users can customize and extend the database, link it to other databases, or implement the design in other relational database applications.

Application of nonlinear least-squares regression to ground-water flow modeling, west-central Florida

USGS Publications Warehouse

Yobbi, D.K.

2000-01-01

A nonlinear least-squares regression technique for estimation of ground-water flow model parameters was applied to an existing model of the regional aquifer system underlying west-central Florida. The regression technique minimizes the differences between measured and simulated water levels. Regression statistics, including parameter sensitivities and correlations, were calculated for reported parameter values in the existing model. Optimal parameter values for selected hydrologic variables of interest are estimated by nonlinear regression. Optimal estimates of parameter values are about 140 times greater than and about 0.01 times less than reported values. Independently estimating all parameters by nonlinear regression was impossible, given the existing zonation structure and number of observations, because of parameter insensitivity and correlation. Although the model yields parameter values similar to those estimated by other methods and reproduces the measured water levels reasonably accurately, a simpler parameter structure should be considered. Some possible ways of improving model calibration are to: (1) modify the defined parameter-zonation structure by omitting and/or combining parameters to be estimated; (2) carefully eliminate observation data based on evidence that they are likely to be biased; (3) collect additional water-level data; (4) assign values to insensitive parameters, and (5) estimate the most sensitive parameters first, then, using the optimized values for these parameters, estimate the entire data set.

The behaviour of water and sodium chloride solution confined into asbestos nanotube

NASA Astrophysics Data System (ADS)

Fomin, Yu. D.; Ryzhov, V. N.; Tsiok, E. N.

2016-08-01

We present the molecular simulation study of the behaviour of water and sodium chloride solution confined in lizardite asbestos nanotube which is a typical example of hydrophilic confinement. The local structure and orientational and dynamic properties are studied. It is shown that at low enough temperatures there is a well-defined orientational ordering of the water molecules. At high local densities corresponding to the maxima of the density distribution function, the water molecules are oriented parallel to the axis of the tube. It is also shown that the diffusion coefficient drops about two orders of magnitude comparing to the bulk case. The behaviour of sodium chloride solutions is also considered and the formation of double layer is observed.

Quantum Behavior of Water Molecules Confined to Nanocavities in Gemstones.

PubMed

Gorshunov, Boris P; Zhukova, Elena S; Torgashev, Victor I; Lebedev, Vladimir V; Shakurov, Gil'man S; Kremer, Reinhard K; Pestrjakov, Efim V; Thomas, Victor G; Fursenko, Dimitry A; Dressel, Martin

2013-06-20

When water is confined to nanocavities, its quantum mechanical behavior can be revealed by terahertz spectroscopy. We place H2O molecules in the nanopores of a beryl crystal lattice and observe a rich and highly anisotropic set of absorption lines in the terahertz spectral range. Two bands can be identified, which originate from translational and librational motions of the water molecule isolated within the cage; they correspond to the analogous broad bands in liquid water and ice. In the present case of well-defined and highly symmetric nanocavities, the observed fine structure can be explained by macroscopic tunneling of the H2O molecules within a six-fold potential caused by the interaction of the molecule with the cavity walls.

An Empirical Agent-Based Model to Simulate the Adoption of Water Reuse Using the Social Amplification of Risk Framework.

PubMed

Kandiah, Venu; Binder, Andrew R; Berglund, Emily Z

2017-10-01

Water reuse can serve as a sustainable alternative water source for urban areas. However, the successful implementation of large-scale water reuse projects depends on community acceptance. Because of the negative perceptions that are traditionally associated with reclaimed water, water reuse is often not considered in the development of urban water management plans. This study develops a simulation model for understanding community opinion dynamics surrounding the issue of water reuse, and how individual perceptions evolve within that context, which can help in the planning and decision-making process. Based on the social amplification of risk framework, our agent-based model simulates consumer perceptions, discussion patterns, and their adoption or rejection of water reuse. The model is based on the "risk publics" model, an empirical approach that uses the concept of belief clusters to explain the adoption of new technology. Each household is represented as an agent, and parameters that define their behavior and attributes are defined from survey data. Community-level parameters-including social groups, relationships, and communication variables, also from survey data-are encoded to simulate the social processes that influence community opinion. The model demonstrates its capabilities to simulate opinion dynamics and consumer adoption of water reuse. In addition, based on empirical data, the model is applied to investigate water reuse behavior in different regions of the United States. Importantly, our results reveal that public opinion dynamics emerge differently based on membership in opinion clusters, frequency of discussion, and the structure of social networks. © 2017 Society for Risk Analysis.

Detecting Habitats and Ecosystem Functions Considering the Mesozooplankton Size and Diversity Structures and Environmental Conditions in the Gulf of Lion, NW Mediterranean Sea

NASA Astrophysics Data System (ADS)

Carlotti, F.; Espinasse, B.; Zhou, M.; Jean-Luc, D.

2016-02-01

Environmental conditions and zooplankton size structure and taxonomic diversity were investigated in the Gulf of Lion in May 2010 and January 2011. The integrated physical and biological measurements provided a 3D view with high spatial resolution of the physical and biological variables and their correlations over the whole gulf. The effects of physical processes such as freshwater input, coastal upwelling, and water column mixing by winds on phytoplankton and zooplankton distributions were analyzed using these data. Several analytic tests were performed in order to define several ecoregions representing different habitats of plankton communities. Three habitats were distinguished based on statistical analysis performed on biological and physical variables: (1) the coastal area characterized by shallow waters, high chl a concentrations, and a steep slope of the normalized biomass size spectrum (NBSS); (2) the area affected by the Rhône with high stratification and flat NBSS slope; and (3) the continental shelf with a deep mixed layer, relatively low particle concentrations, and moderate NBSS slope. The zooplankton diversity was characterized by spatial differences in community composition among the Rhône plume area, the coastal shelf, and shelf break waters. Defining habitat is a relevant approach to designing new zooplankton sampling strategies, validating distribution models and including the zooplankton compartment in trophodynamic studies.

Plan of study for the regional aquifer-system analysis of the San Juan structural basin, New Mexico, Colorado, Arizona, and Utah

USGS Publications Warehouse

Welder, G.E.

1986-01-01

The San Juan structural basin is an 18,000 sq mi area that contains several extensive aquifers. The basin includes three surface drainage basins and parts of New Mexico, Colorado, Arizona, and Utah. Surface water in the area is fully appropriated, and the steadily increasing demand for groundwater has resulted in water supply concerns. Competition is great between mining and electric power companies, municipalities, and Indian communities for the limited groundwater supplies. This report outlines a 4-year plan for a study of the regional aquifer system in the San Juan structural basin. The purposes of the study are to define and understand the aquifer system; to assess the effects of groundwater use on the aquifers and streams; and to determine the availability and quality of groundwater in the basin. (Author 's abstract)

Acoustic and optical borehole-wall imaging for fractured-rock aquifer studies

USGS Publications Warehouse

Williams, J.H.; Johnson, C.D.

2004-01-01

Imaging with acoustic and optical televiewers results in continuous and oriented 360?? views of the borehole wall from which the character, relation, and orientation of lithologic and structural planar features can be defined for studies of fractured-rock aquifers. Fractures are more clearly defined under a wider range of conditions on acoustic images than on optical images including dark-colored rocks, cloudy borehole water, and coated borehole walls. However, optical images allow for the direct viewing of the character of and relation between lithology, fractures, foliation, and bedding. The most powerful approach is the combined application of acoustic and optical imaging with integrated interpretation. Imaging of the borehole wall provides information useful for the collection and interpretation of flowmeter and other geophysical logs, core samples, and hydraulic and water-quality data from packer testing and monitoring. ?? 2003 Elsevier B.V. All rights reserved.

Defining how aging Pseudotsuga and Abies compensate for multiple stresses through multi-criteria assessment of a functional-structural model

Treesearch

Maureen C. Kennedy; E. David Ford; Thomas M. Hinckley

2009-01-01

Many hypotheses have been advanced about factors that control tree longevity. We use a simulation model with multi-criteria optimization and Pareto optimality to determine branch morphologies in the Pinaceae that minimize the effect of growth limitations due to water stress while simultaneously maximizing carbohydrate gain. Two distinct branch morphologies in the...

Pronounced microheterogeneity in a sorbitol-water mixture observed through variable temperature neutron scattering.

PubMed

Chou, Shin G; Soper, Alan K; Khodadadi, Sheila; Curtis, Joseph E; Krueger, Susan; Cicerone, Marcus T; Fitch, Andrew N; Shalaev, Evgenyi Y

2012-04-19

In this study, the structure of concentrated d-sorbitol-water mixtures is studied by wide- and small-angle neutron scattering (WANS and SANS) as a function of temperature. The mixtures are prepared using both deuterated and regular sorbitol and water at a molar fraction of sorbitol of 0.19 (equivalent to 70% by weight of regular sorbitol in water). Retention of an amorphous structure (i.e., absence of crystallinity) is confirmed for this system over the entire temperature range, 100-298 K. The glass transition temperature, Tg, is found from differential scanning calorimetry to be approximately 200 K. WANS data are analyzed using empirical potential structure refinement, to obtain the site-site radial distribution functions (RDFs) and coordination numbers. This analysis reveals the presence of nanoscaled water clusters surrounded by (and interacting with) sorbitol molecules. The water clusters appear more structured compared to bulk water and, especially at the lowest temperatures, resemble the structure of low-density amorphous ice (LDA). Upon cooling to 100 K the peaks in the water RDFs become markedly sharper, with increased coordination number, indicating enhanced local (nanometer-scale) ordering, with changes taking place both above and well below the Tg. On the mesoscopic (submicrometer) scale, although there are no changes between 298 and 213 K, cooling the sample to 100 K results in a significant increase in the SANS signal, which is indicative of pronounced inhomogeneities. This increase in the scattering is partly reversed during heating, although some hysteresis is observed. Furthermore, a power law analysis of the SANS data indicates the existence of domains with well-defined interfaces on the submicrometer length scale, probably as a result of the appearance and growth of microscopic voids in the glassy matrix. Because of the unusual combination of small and wide scattering data used here, the present results provide new physical insight into the structure of aqueous glasses over a broad temperature and length scale, leading to an improved understanding of the mechanisms of temperature- and water-induced (de)stabilization of various systems, including proteins, pharmaceuticals, and biological objects.

Propagation of crises in the virtual water trade network

NASA Astrophysics Data System (ADS)

Tamea, Stefania; Laio, Francesco; Ridolfi, Luca

2015-04-01

The international trade of agricultural goods is associated to the displacement of the water used to produce such goods and embedded in trade as a factor of production. Water virtually exchanged from producing to consuming countries, named virtual water, defines flows across an international network of 'virtual water trade' which enable the assessment of environmental forcings and implications of trade, such as global water savings or country dependencies on foreign water resources. Given the recent expansion of commodity (and virtual water) trade, in both displaced volumes and network structure, concerns have been raised about the exposure to crises of individuals and societies. In fact, if one country had to markedly decrease its export following a socio-economical or environmental crisis, such as a war or a drought, many -if not all- countries would be affected due to a cascade effect within the trade network. The present contribution proposes a mechanistic model describing the propagation of a local crisis into the virtual water trade network, accounting for the network structure and the virtual water balance of all countries. The model, built on data-based assumptions, is tested on the real case study of the Argentinean crisis in 2008-09, when the internal agricultural production (measured as virtual water volume) decreased by 26% and the virtual water export of Argentina dropped accordingly. Crisis propagation and effects on the virtual water trade are correctly captured, showing the way forward to investigations of crises impact and country vulnerability based on the results of the model proposed.

Structural analysis of zeolite NaA synthesized by a cost-effective hydrothermal method using kaolin and its use as water softener.

PubMed

Loiola, A R; Andrade, J C R A; Sasaki, J M; da Silva, L R D

2012-02-01

Zeolite 4A (LTA) has been successfully synthesized by a hydrothermal method, where kaolin was used as silica and alumina source. The synthesized zeolite was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), laser granulometry, and FTIR spectroscopy. XRD data from the Rietveld refinement method confirmed only one crystallographic phase. Zeolite A morphology was observed by SEM analysis, and it showed well-defined crystals with slightly different sizes but with the same cubic shape. Particle size distribution of the crystals was confirmed by laser granulometry, whereas FTIR spectroscopy revealed significant structural differences between the starting material and the final zeolite product used as water softener. Copyright © 2010 Elsevier Inc. All rights reserved.

Isothermal dehydration of thin films of water and sugar solutions

NASA Astrophysics Data System (ADS)

Heyd, R.; Rampino, A.; Bellich, B.; Elisei, E.; Cesàro, A.; Saboungi, M.-L.

2014-03-01

The process of quasi-isothermal dehydration of thin films of pure water and aqueous sugar solutions is investigated with a dual experimental and theoretical approach. A nanoporous paper disk with a homogeneous internal structure was used as a substrate. This experimental set-up makes it possible to gather thermodynamic data under well-defined conditions, develop a numerical model, and extract needed information about the dehydration process, in particular the water activity. It is found that the temperature evolution of the pure water film is not strictly isothermal during the drying process, possibly due to the influence of water diffusion through the cellulose web of the substrate. The role of sugar is clearly detectable and its influence on the dehydration process can be identified. At the end of the drying process, trehalose molecules slow down the diffusion of water molecules through the substrate in a more pronounced way than do the glucose molecules.

Isothermal dehydration of thin films of water and sugar solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heyd, R.; Rampino, A.; Laboratory of Physical and Macromolecular Chemistry, University of Trieste, Via Giorgieri 1, 34127 Trieste

The process of quasi-isothermal dehydration of thin films of pure water and aqueous sugar solutions is investigated with a dual experimental and theoretical approach. A nanoporous paper disk with a homogeneous internal structure was used as a substrate. This experimental set-up makes it possible to gather thermodynamic data under well-defined conditions, develop a numerical model, and extract needed information about the dehydration process, in particular the water activity. It is found that the temperature evolution of the pure water film is not strictly isothermal during the drying process, possibly due to the influence of water diffusion through the cellulose webmore » of the substrate. The role of sugar is clearly detectable and its influence on the dehydration process can be identified. At the end of the drying process, trehalose molecules slow down the diffusion of water molecules through the substrate in a more pronounced way than do the glucose molecules.« less

Geophysical investigation of sentinel lakes in Lake, Seminole, Orange, and Volusia Counties, Florida

USGS Publications Warehouse

Reich, Christopher; Flocks, James; Davis, Jeffrey

2012-01-01

This study was initiated in cooperation with the St. Johns River Water Management District (SJRWMD) to investigate groundwater and surface-water interaction in designated sentinel lakes in central Florida. Sentinel lakes are a SJRWMD established set of priority water bodies (lakes) for which minimum flows and levels (MFLs) are determined. Understanding both the structure and lithology beneath these lakes can ultimately lead to a better understanding of the MFLs and why water levels fluctuate in certain lakes more so than in other lakes. These sentinel lakes have become important water bodies to use as water-fluctuation indicators in the SJRWMD Minimum Flows and Levels program and will be used to define long-term hydrologic and ecologic performance measures. Geologic control on lake hydrology remains poorly understood in this study area. Therefore, the U.S. Geological Survey investigated 16 of the 21 water bodies on the SJRWMD priority list. Geologic information was obtained by the tandem use of high-resolution seismic profiling (HRSP) and direct-current (DC) resistivity profiling to isolate both the geologic framework (structure) and composition (lithology). Previous HRSP surveys from various lakes in the study area have been successful in identifying karst features, such as subsidence sinkholes. However, by using this method only, it is difficult to image highly irregular or chaotic surfaces, such as collapse sinkholes. Resistivity profiling was used to complement HRSP by detecting porosity change within fractured or collapsed structures and increase the ability to fully characterize the subsurface. Lake Saunders (Lake County) is an example of a lake composed of a series of north-south-trending sinkholes that have joined to form one lake body. HRSP shows surface depressions and deformation in the substrate. Resistivity data likewise show areas in the southern part of the lake where resistivity shifts abruptly from approximately 400 ohm meters (ohm-m) along the edges to approximately 12 ohm-m in the center. These well-defined areas may indicate a "ravel" zone of increased porosity or clay content. Within Lake Helen (Volusia County), a parallel set of seismic reflectors within a host of chaotic reflectors may represent fill within a large sinkhole. The feature extends to more than 50 meters (m) deep and contains very steep pinnacles within the center. Seismic data in Lake Helen are supported by high resistivity values from adjacent continuous resistivity profiles that show possible center collapse within the lake and infilling of sandy material. When used together, HRSP and DC resistivity techniques provide a composite image of structure and lithology to detect potential conduits for fluid flow.

Green roof soil system affected by soil structural changes: A project initiation

NASA Astrophysics Data System (ADS)

Jelínková, Vladimíra; Dohnal, Michal; Šácha, Jan; Šebestová, Jana; Sněhota, Michal

2014-05-01

Anthropogenic soil systems and structures such as green roofs, permeable or grassed pavements comprise appreciable part of the urban watersheds and are considered to be beneficial regarding to numerous aspects (e.g. carbon dioxide cycle, microclimate, reducing solar absorbance and storm water). Expected performance of these systems is significantly affected by water and heat regimes that are primarily defined by technology and materials used for system construction, local climate condition, amount of precipitation, the orientation and type of the vegetation cover. The benefits and potencies of anthropogenic soil systems could be considerably threatened in case when exposed to structural changes of thin top soil layer in time. Extensive green roof together with experimental green roof segment was established and advanced automated monitoring system of micrometeorological variables was set-up at the experimental site of University Centre for Energy Efficient Buildings as an interdisciplinary research facility of the Czech Technical University in Prague. The key objectives of the project are (i) to characterize hydraulic and thermal properties of soil substrate studied, (ii) to establish seasonal dynamics of water and heat in selected soil systems from continuous monitoring of relevant variables, (iii) to detect structural changes with the use of X-ray Computed Tomography, (iv) to identify with the help of numerical modeling and acquired datasets how water and heat dynamics in anthropogenic soil systems are affected by soil structural changes. Achievements of the objectives will advance understanding of the anthropogenic soil systems behavior in conurbations with the temperate climate.

Molecular dynamics study of unfolding of lysozyme in water and its mixtures with dimethyl sulfoxide.

PubMed

Sedov, Igor A; Magsumov, Timur I

2017-09-01

All-atom explicit solvent molecular dynamics was used to study the process of unfolding of hen egg white lysozyme in water and mixtures of water with dimethyl sulfoxide at different compositions. We have determined the kinetic parameters of unfolding at a constant temperature 450K. For each run, the time of disruption of the tertiary structure of lysozyme t u was defined as the moment when a certain structural criterion computed from the trajectory reaches its critical value. A good agreement is observed between the results obtained using several different criteria. The secondary structure according to DSSP calculations is found to be partially unfolded to the moment of disruption of tertiary structure, but some of its elements keep for a long time after that. The values of t u averaged over ten 30ns-long trajectories for each solvent composition are shown to decrease very rapidly with addition of dimethyl sulfoxide, and rather small amounts of dimethyl sulfoxide are found to change the pathway of unfolding. In pure water, despite the loss of tertiary contacts and disruption of secondary structure elements, the protein preserves its compact globular state at least over 130ns of simulation, while even at 5mol percents of dimethyl sulfoxide it loses its compactness within 30ns. The proposed methodology is a generally applicable tool to quantify the rate of protein unfolding in simulation studies. Copyright © 2017 Elsevier Inc. All rights reserved.

Wave-formed structures and paleoenvironmental reconstruction

USGS Publications Warehouse

Clifton, H.E.; Dingler, J.R.

1984-01-01

Wave-formed sedimentary structures can be powerful interpretive tools because they reflect not only the velocity and direction of the oscillatory currents, but also the length of the horizontal component of orbital motion and the presence of velocity asymmetry within the flow. Several of these aspects can be related through standard wave theories to combinations of wave dimensions and water depth that have definable natural limits. For a particular grain size, threshold of particle movement and that of conversion from a rippled to flat bed indicate flow-velocity limits. The ratio of ripple spacing to grain size provides an estimate of the length of the near-bottom orbital motion. The degree of velocity asymmetry is related to the asymmetry of the bedforms, though it presently cannot be estimated with confidence. A plot of water depth versus wave height (h-H diagram) provides a convenient approach for showing the combination of wave parameters and water depths capable of generating any particular structure in sand of a given grain size. Natural limits on wave height and inferences or assumptions regarding either water depth or wave period based on geologic evidence allow refinement of the paleoenvironmental reconstruction. The assumptions and the degree of approximation involved in the different techniques impose significant constraints. Inferences based on wave-formed structures are most reliable when they are drawn in the context of other evidence such as the association of sedimentary features or progradational sequences. ?? 1984.

Estimates of water source contributions in a dynamic urban water supply system inferred via a Bayesian stable isotope mixing model

NASA Astrophysics Data System (ADS)

Jameel, M. Y.; Brewer, S.; Fiorella, R.; Tipple, B. J.; Bowen, G. J.; Terry, S.

2017-12-01

Public water supply systems (PWSS) are complex distribution systems and critical infrastructure, making them vulnerable to physical disruption and contamination. Exploring the susceptibility of PWSS to such perturbations requires detailed knowledge of the supply system structure and operation. Although the physical structure of supply systems (i.e., pipeline connection) is usually well documented for developed cities, the actual flow patterns of water in these systems are typically unknown or estimated based on hydrodynamic models with limited observational validation. Here, we present a novel method for mapping the flow structure of water in a large, complex PWSS, building upon recent work highlighting the potential of stable isotopes of water (SIW) to document water management practices within complex PWSS. We sampled a major water distribution system of the Salt Lake Valley, Utah, measuring SIW of water sources, treatment facilities, and numerous sites within in the supply system. We then developed a hierarchical Bayesian (HB) isotope mixing model to quantify the proportion of water supplied by different sources at sites within the supply system. Known production volumes and spatial distance effects were used to define the prior probabilities for each source; however, we did not include other physical information about the supply system. Our results were in general agreement with those obtained by hydrodynamic models and provide quantitative estimates of contributions of different water sources to a given site along with robust estimates of uncertainty. Secondary properties of the supply system, such as regions of "static" and "dynamic" source (e.g., regions supplied dominantly by one source vs. those experiencing active mixing between multiple sources), can be inferred from the results. The isotope-based HB isotope mixing model offers a new investigative technique for analyzing PWSS and documenting aspects of supply system structure and operation that are otherwise challenging to observe. The method could allow water managers to document spatiotemporal variation in PWSS flow patterns, critical for interrogating the distribution system to inform operation decision making or disaster response, optimize water supply and, monitor and enforce water rights.

Ternary liquid mixtures control the multiplicity, shape and internal structure of emulsion droplets

NASA Astrophysics Data System (ADS)

Haase, Martin F.; Brujic, Jasna

2014-03-01

It is important to control the shape, internal structure and stability of emulsion droplets for drug delivery, biochemical assays, and the design of materials with novel physical properties. Successful methods involve the mechanical manipulation of the flow of oil in water using complex microfluidic devices to make multiple emulsions with a sequential introduction of specific reactants. Instead, here we show how the thermodynamics of immiscible liquid mixtures tailor emulsions using a single dripping instability. For example, the initial composition and choice of surfactant govern the multiplicity of concentric alternating oil and water layers inside the droplets. Stabilizing ternary droplets using nanoparticles gives rise to a plethora of shapes whose geometry is defined by the deformability of the shell and the flow rate. Another option is to incorporate lipids to the multiple emulsion droplet, which form vesicles upon expulsion of the inner water droplets. Depending on the number of initial water droplets, these vesicles eventually form complex hollow topologies, which can be used as junctions or scaffolds for the self-assembly of colloidal particles in the future.

San Antonio relay ramp: Area of stratal continuity between large-displacement barrier faults of the Edwards aquifer and Balcones fault zone, central Texas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, E.W.

1996-09-01

The San Antonio relay ramp, a gentle southwest-dipping monocline, formed between the tips of two en echelon master faults having maximum throws of >240 in. Structural analysis of this relay ramp is important to studies of Edwards aquifer recharge and ground-water flow because the ramp is an area of relatively good stratal continuity linking the outcrop belt recharge zone and unconfined aquifer with the downdip confined aquifer. Part of the relay ramp lies within the aquifer recharge zone and is crossed by several southeast-draining creeks, including Salado, Cibolo, and Comal Creeks, that supply water to the ramp recharge area. Thismore » feature is an analog for similar structures within the aquifer and for potential targets for hydrocarbons in other Gulf Coast areas. Defining the ramp is an {approximately}13-km-wide right step of the Edwards Group outcrop belt and the en echelon master faults that bound the ramp. The master faults strike N55-75{degrees}E, and maximum displacement exceeds the {approximately}165-m thickness of the Edwards Group strata. The faults therefore probably serve as barriers to Edwards ground-water flow. Within the ramp, tilted strata gently dip southwestward at {approximately}5 m/km, and the total structural relief along the ramp`s southwest-trending axis is <240 in. The ramp`s internal framework is defined by three fault blocks that are {approximately}4 to {approximately}6 km wide and are bound by northeast-striking faults having maximum throws between 30 and 150 m. Within the fault blocks, local areas of high fracture permeability may exist where smaller faults and joints are well connected.« less

Co-ordination of growth, gas exchange and hydraulics define the carbon safety margin in tree species with contrasting drought strategies.

PubMed

Mitchell, P J; O'Grady, A P; Tissue, D T; Worledge, D; Pinkard, E A

2014-05-01

Gas exchange, growth, water transport and carbon (C) metabolism diminish during drought according to their respective sensitivities to declining water status. The timing of this sequence of declining physiological functions may determine how water and C relations compromise plant survival. In this paper, we test the hypothesis that the degree of asynchrony between declining C supply (photosynthesis) and C demand (growth and respiration) determines the rate and magnitude of changes in whole-plant non-structural carbohydrates (NSC) during drought. Two complementary experiments using two tree species (Eucalyptus globulus Labill. and Pinus radiata D. Don) with contrasting drought response strategies were performed to (i) assess changes in radial stem growth, transpiration, leaf water potential and gas exchange in response to chronic drought, and (ii) evaluate the concomitant impacts of these drought responses on the temporal patterns of NSC during terminal drought. The three distinct phases of water stress were delineated by thresholds of growth cessation and stomatal closure that defined the 'carbon safety margin' (i.e., the difference between leaf water potential when growth is zero and leaf water potential when net photosynthesis is zero). A wider C safety margin in E. globulus was defined by an earlier cessation of growth relative to photosynthesis that reduced the demand for NSC while maintaining C acquisition. By contrast, the narrower C safety margin in P. radiata was characterized by a synchronous decline in growth and photosynthesis, whereby growth continued under a declining supply of NSC from photosynthesis. The narrower C safety margin in P. radiata was associated with declines in starch concentrations after ∼ 90 days of chronic drought and significant depletion of starch in all organs at mortality. The observed divergence in the sensitivity of drought responses is indicative of a potential trade-off between maintaining hydraulic safety and adequate C availability. © The Author 2014. Published by Oxford University Press. All rights reserved.

In situ emulsification using a non-uniform alternating electric field

NASA Astrophysics Data System (ADS)

Choi, Suhwan; Saveliev, Alexei V.

2014-08-01

We report an electric field based method for in situ emulsification of water droplets immersed in a continuous oil phase. High density water-in-oil emulsions are generated using non-uniform ac electric fields applied between needle and plate electrodes. An initial water droplet is entrained in the area of high electric field near the needle electrode where it is dispersed under the influence of high electric stresses. Breakup mechanisms responsible for a gradual dispersion of the water droplets are investigated. Identified mechanisms involve drop elongation to a cylindrical shape followed by a capillary breakup, ac electrospraying from individual water droplets, and formation and breakup of bead-like structures comprised by the water droplets interconnected by thin water bridges. Water droplets with diameters close to 1 μm and a narrow size distribution are formed at long processing times. The generated emulsion has a well-defined boundary and is confined near the needle electrode in a shape resembling a pendant drop.

Creating potentiometric surfaces from combined water well and oil well data in the midcontinent of the United States

USGS Publications Warehouse

Gianoutsos, Nicholas J.; Nelson, Philip H.

2013-01-01

For years, hydrologists have defined potentiometric surfaces using measured hydraulic-head values in water wells from aquifers. Down-dip, the oil and gas industry is also interested in the formation pressures of many of the same geologic formations for the purpose of hydrocarbon recovery. In oil and gas exploration, drillstem tests (DSTs) provide the formation pressure for a given depth interval in a well. These DST measurements can be used to calculate hydraulic-head values in deep hydrocarbon-bearing formations in areas where water wells do not exist. Unlike hydraulic-head measurements in water wells, which have a low number of problematic data points (outliers), only a small subset of the DST data measure true formation pressures. Using 3D imaging capabilities to view and clean the data, we have developed a process to estimate potentiometric surfaces from erratic DST data sets of hydrocarbon-bearing formations in the midcontinent of the U.S. The analysis indicates that the potentiometric surface is more readily defined through human interpretation of the chaotic DST data sets rather than through the application of filtering and geostatistical analysis. The data are viewed as a series of narrow, 400-mile-long swaths and a 2D viewer is used to select a subset of hydraulic-head values that represent the potentiometric surface. The user-selected subsets for each swath are then combined into one data set for each formation. These data are then joined with the hydraulic-head values from water wells to define the 3D potentiometric surfaces. The final product is an interactive, 3D digital display containing: (1) the subsurface structure of the formation, (2) the cluster of DST-derived hydraulic head values, (3) the user-selected subset of hydraulic-head values that define the potentiometric surface, (4) the hydraulic-head measurements from the corresponding shallow aquifer, (5) the resulting potentiometric surface encompassing both oil and gas and water wells, and (6) the land surface elevation of the region. Examples from the midcontinent of the United States, specifically Kansas, Oklahoma, and parts of adjacent states illustrate the process.

INTEGRATING PROBABILISTIC AND FIXED-SITE MONITORING FOR ROBUST WATER QUALITY ASSESSMENTS

EPA Science Inventory

Determining the extent of water-quality degradation, controlling nonpoint sources, and defining allowable amounts of contaminants are important water-quality issues defined in the Clean Water Act that require new monitoring data. Probabilistic, randomized stream water-quality mon...

Conformational features of cepacian: the exopolysaccharide produced by clinical strains of Burkholderia cepacia.

PubMed

Nogueira, Carlos E Sampaio; Ruggiero, Jose R; Sist, Paola; Cescutti, Paola; Urbani, Ranieri; Rizzo, Roberto

2005-04-11

Conformational energy calculations and molecular dynamics investigations, both in water and in dimethyl sulfoxide, were carried out on the exopolysaccharide cepacian produced by the majority of the clinical strains of Burkholderia cepacia, an opportunistic pathogen causing serious lung infection in patients affected by cystic fibrosis, The investigation was aimed at defining the structural and conformational features, which might be relevant for clarification of the structure-function relationships of the polymer. The molecular dynamics calculations were carried out by Ramachandran-type energy plots of the disaccharides that constitute the polymer repeating unit. The dynamics of an oligomer composed of three repeating units were investigated in water and in Me2SO, a non-aggregating solvent. Analysis of the time persistence of hydrogen bonds showed the presence of a large number of favourable interactions in water, which were less evident in Me2SO. The calculations on the cepacian chain indicated that polymer conformational features in water were affected by the lateral chains, but were also largely dictated by the presence of solvent. Moreover, the large number of intra-chain hydrogen bonds in water disappeared in Me2SO solution, increasing the average dimension of the polymer chains.

Structural properties of hydration shell around various conformations of simple polypeptides.

PubMed

Czapiewski, Dariusz; Zielkiewicz, Jan

2010-04-08

In this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 3(10), and alpha. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation layer. This contribution divides into two terms, depending on the peptide-water and water-water interactions, respectively, and in this paper both terms are investigated. The structure of "solvation" water is described by the second term, and therefore it mainly attracts our attention. Determination of this term, however, is not an easy task, requiring some controversial approximations. Therefore, we have transformed this term to the form of some rational parameter which measures the local structural ordering of water within the solvation shell. Moreover, the results of several independent investigations are reported: we adopt the harmonic approximation for an independent estimation of the water entropy within the solvation shell, and we also study structure of the water-water hydrogen bond network, mean geometry of a single hydrogen bond, the self-diffusion coefficients (both translational and rotational) of water, and the mean lifetimes of water-water and water-peptide hydrogen bonds. All the obtained results lead to the conclusion that the local structure of water within the solvation shell changes only slightly in comparison to the bulk one. If so, the measure of local water ordering proposed by us is exploited with the aim to gain the deeper insight on the structural properties of "solvation" water. It has been shown that this parameter can be factored into three terms, which measure translational, configurational, and orientational ordering, respectively. Using this factoring, the ordering map for a precise description of the water local ordering has been built. An interesting correlation is observed: the points on this map lie approximately on the straight line, while the linear conformations clearly deviate from the general tendency. Further analysis of the obtained results allows us to express the supposition that an increasing local ordering of water around given secondary structure corresponds to an increasing relative stability of this structure in aqueous solution. Analyzing the geometry of the water-water hydrogen bond network within the solvation layer, we find some systematic deviations of this geometry from the bulk water properties. We also observe that the alanine peptides (excluding the linear form) disturb the hydrogen bond network in the less range, and in another way than the various conformations of polyglycine, while the linear form of polyalanine behaves very similarly to the glycine ones. Next, investigating the dynamic properties, we also conclude that water near the peptide surface creates a pseudorigid structure, a "halo" around the peptide core. This "halo" is stabilized by slightly higher energy of the hydrogen bonds network: we have found that within this region the hydrogen bonds network is slightly less distorted, the water-water hydrogen bonds are a little more stable and their mean lifetime is clearly longer that that of bulk water. Significant differences between the alanine- and glycine-based polypeptides are also visible. It has also been found that this solvation layer interacts with the polyalanine in another way than with polyglycine. Although in the case of the glycine-based polypeptide this layer slides relatively freely over the peptide surface, for the alanine-based polypeptide this sliding is strongly hindered by the presence of the methyl groups, and this effect is additionally enhanced by a rise in the solvation layer rigidity. Thus, the survey of various dynamic properties allows us to perceive and to explain distinct differences in behavior of water within the solvation shell around both glycine and alanine peptides.

Integration of Remote Sensing and Geophysical Applications for Delineation of Geological Structures: Implication for Water Resources in Egypt

NASA Astrophysics Data System (ADS)

Mohamed, L.; Farag, A. Z. A.

2017-12-01

North African countries struggle with insufficient, polluted, oversubscribed, and increasingly expensive water. This natural water shortage, in addition to the lack of a comprehensive scheme for the identification of new water resources challenge the political settings in north Africa. Groundwater is one of the main water resources and its occurrence is controlled by the structural elements which are still poorly understood. Integration of remote sensing images and geophysical tools enable us to delineate the surface and subsurface structures (i.e. faults, joints and shear zones), identify the role of these structures on groundwater flow and then to define the proper locations for groundwater wells. This approach were applied to three different areas in Egypt; southern Sinai, north eastern Sinai and the Eastern Desert using remote sensing, geophysical and hydrogeological datasets as follows: (1) identification of the spatial and temporal rainfall events using meteorological station data and Tropical Rainfall Measuring Mission data; (2) delineation of major faults and shear zones using ALOS Palsar, Landsat 8 and ASTER images, geological maps and field investigation; (3) generation of a normalized difference ratio image using Envisat radar images before and after the rain events to identify preferential water-channeling discontinuities in the crystalline terrain; (4) analysis of well data and derivations of hydrological parameters; (5) validation of the water-channeling discontinuities using Very Low Frequency, testing the structural elements (pre-delineated by remote sensing data) and their depth using gravity, magnetic and Vertical Electrical Sounding methods; (6) generation of regional groundwater flow and isotopic (18O and 2H) distribution maps for the sedimentary aquifer and an approximation flow map for the crystalline aquifer. The outputs include: (1) a conceptual/physical model for the groundwater flow in fractured crystalline and sedimentary aquifers; (2) locations of suggested new wells in light of the findings.

Dynamical Coupling of Intrinsically Disordered Proteins and Their Hydration Water: Comparison with Folded Soluble and Membrane Proteins

PubMed Central

Gallat, F.-X.; Laganowsky, A.; Wood, K.; Gabel, F.; van Eijck, L.; Wuttke, J.; Moulin, M.; Härtlein, M.; Eisenberg, D.; Colletier, J.-P.; Zaccai, G.; Weik, M.

2012-01-01

Hydration water is vital for various macromolecular biological activities, such as specific ligand recognition, enzyme activity, response to receptor binding, and energy transduction. Without hydration water, proteins would not fold correctly and would lack the conformational flexibility that animates their three-dimensional structures. Motions in globular, soluble proteins are thought to be governed to a certain extent by hydration-water dynamics, yet it is not known whether this relationship holds true for other protein classes in general and whether, in turn, the structural nature of a protein also influences water motions. Here, we provide insight into the coupling between hydration-water dynamics and atomic motions in intrinsically disordered proteins (IDP), a largely unexplored class of proteins that, in contrast to folded proteins, lack a well-defined three-dimensional structure. We investigated the human IDP tau, which is involved in the pathogenic processes accompanying Alzheimer disease. Combining neutron scattering and protein perdeuteration, we found similar atomic mean-square displacements over a large temperature range for the tau protein and its hydration water, indicating intimate coupling between them. This is in contrast to the behavior of folded proteins of similar molecular weight, such as the globular, soluble maltose-binding protein and the membrane protein bacteriorhodopsin, which display moderate to weak coupling, respectively. The extracted mean square displacements also reveal a greater motional flexibility of IDP compared with globular, folded proteins and more restricted water motions on the IDP surface. The results provide evidence that protein and hydration-water motions mutually affect and shape each other, and that there is a gradient of coupling across different protein classes that may play a functional role in macromolecular activity in a cellular context. PMID:22828339

Structure and lifetimes in ionic liquids and their mixtures.

PubMed

Gehrke, Sascha; von Domaros, Michael; Clark, Ryan; Hollóczki, Oldamur; Brehm, Martin; Welton, Tom; Luzar, Alenka; Kirchner, Barbara

2018-01-01

With the aid of molecular dynamics simulations, we study the structure and dynamics of different ionic liquid systems, with focus on hydrogen bond, ion pair and ion cage formation. To do so, we report radial distribution functions, their number integrals, and various time-correlation functions, from which we extract well-defined lifetimes by means of the reactive flux formalism. We explore the influence of polarizable force fields vs. non-polarizable ones with downscaled charges (±0.8) for the example of 1-butyl-3-methylimidazolium bromide. Furthermore, we use 1-butyl-3-methylimidazolium trifluoromethanesulfonate to investigate the impact of temperature and mixing with water as well as with the chloride ionic liquid. Smaller coordination numbers, larger distances, and tremendously accelerated dynamics are observed when the polarizable force field is applied. The same trends are found with increasing temperature. Adding water decreases the ion-ion coordination numbers whereas the water-ion and water-water coordination is enhanced. A domain analysis reveals that the nonpolar parts of the ions are dispersed and when more water is added the water clusters increase in size. The dynamics accelerate in general upon addition of water. In the ionic liquid mixture, the coordination number around the cation changes between the two anions, but the number integrals of the cation around the anions remain constant and the dynamics slow down with increasing content of the chloride ionic liquid.

Water-Solubilized, Cap-Stabilized, Helical Polyalanines: Calibration Standards for NMR and CD Analyses

PubMed Central

Heitmann, Björn; Job, Gabriel E.; Kennedy, Robert J.; Walker, Sharon M.; Kemp, Daniel S.

2006-01-01

NMR and CD studies are reported for two length series of solubilized, spaced, highly helical polyalanines that are N-capped by the optimal helix stabilizer βAsp-Hel and C-capped by β-aminoalanine beta and that are studied in water at 2 °C, pH 1–8. NMR analysis yields a structural characterization of the peptide AcβAspHelAla8betaNH2 and selected members of one βAspHelAlanbeta series. At pH > 4.5 the βAspHel cap provides a preorganized triad of carboxylate anion and two amide residues that is complementary to the helical polyalanine N-terminus. The C-terminal β-aminoalanine assumes a helix-stabilizing conformation consistent with literature precedents. H(N)CO NMR experiments applied to capped, uniformly 13C- and 15N-labeled Ala8 and Ala12 peptides define Alan hydrogen bonding signatures as α-helical without detectable 310 character. Relative NH→ND exchange rates yield site protection factors PFi that define uniquely high fractional helicities FH for the peptide Alan regions. These Alan calibration series, studied in water and lacking helix-stabilizing tertiary structure, yield the first 13C NMR chemical shifts, 3JHNHα coupling constants, and CD ellipticities [θMolar]λ,n characteristic of a fully helical alanine within an Alan context. CD data are used to assign parameters X and [θ]λ,∞, required for rigorous calculation of FH values from CD ellipticities. PMID:15701003

Application guide for AFINCH (Analysis of Flows in Networks of Channels) described by NHDPlus

USGS Publications Warehouse

Holtschlag, David J.

2009-01-01

AFINCH (Analysis of Flows in Networks of CHannels) is a computer application that can be used to generate a time series of monthly flows at stream segments (flowlines) and water yields for catchments defined in the National Hydrography Dataset Plus (NHDPlus) value-added attribute system. AFINCH provides a basis for integrating monthly flow data from streamgages, water-use data, monthly climatic data, and land-cover characteristics to estimate natural monthly water yields from catchments by user-defined regression equations. Images of monthly water yields for active streamgages are generated in AFINCH and provide a basis for detecting anomalies in water yields, which may be associated with undocumented flow diversions or augmentations. Water yields are multiplied by the drainage areas of the corresponding catchments to estimate monthly flows. Flows from catchments are accumulated downstream through the streamflow network described by the stream segments. For stream segments where streamgages are active, ratios of measured to accumulated flows are computed. These ratios are applied to upstream water yields to proportionally adjust estimated flows to match measured flows. Flow is conserved through the NHDPlus network. A time series of monthly flows can be generated for stream segments that average about 1-mile long, or monthly water yields from catchments that average about 1 square mile. Estimated monthly flows can be displayed within AFINCH, examined for nonstationarity, and tested for monotonic trends. Monthly flows also can be used to estimate flow-duration characteristics at stream segments. AFINCH generates output files of monthly flows and water yields that are compatible with ArcMap, a geographical information system analysis and display environment. Chloropleth maps of monthly water yield and flow can be generated and analyzed within ArcMap by joining NHDPlus data structures with AFINCH output. Matlab code for the AFINCH application is presented.

Compounding Effects of Agricultural Land Use and Water Use in Free-Flowing Rivers: Confounding Issues for Environmental Flows

NASA Astrophysics Data System (ADS)

Hardie, Scott A.; Bobbi, Chris J.

2018-03-01

Defining the ecological impacts of water extraction from free-flowing river systems in altered landscapes is challenging as multiple stressors (e.g., flow regime alteration, increased sedimentation) may have simultaneous effects and attributing causality is problematic. This multiple-stressor context has been acknowledged in environmental flows science, but is often neglected when it comes to examining flow-ecology relationships, and setting and implementing environmental flows. We examined the impacts of land and water use on rivers in the upper Ringarooma River catchment in Tasmania (south-east Australia), which contains intensively irrigated agriculture, to support implementation of a water management plan. Temporal and spatial and trends in river condition were assessed using benthic macroinvertebrates as bioindicators. Relationships between macroinvertebrate community structure and environmental variables were examined using univariate and multivariate analyses, focusing on the impacts of agricultural land use and water use. Structural changes in macroinvertebrate communities in rivers in the catchment indicated temporal and spatial declines in the ecological condition of some stretches of river associated with agricultural land and water use. Moreover, water extraction appeared to exacerbate impairment associated with agricultural land use (e.g., reduced macroinvertebrate density, more flow-avoiding taxa). The findings of our catchment-specific bioassessments will underpin decision-making during the implementation of the Ringarooma water management plan, and highlight the need to consider compounding impacts of land and water use in environmental flows and water planning in agricultural landscapes.

Compounding Effects of Agricultural Land Use and Water Use in Free-Flowing Rivers: Confounding Issues for Environmental Flows.

PubMed

Hardie, Scott A; Bobbi, Chris J

2018-03-01

Defining the ecological impacts of water extraction from free-flowing river systems in altered landscapes is challenging as multiple stressors (e.g., flow regime alteration, increased sedimentation) may have simultaneous effects and attributing causality is problematic. This multiple-stressor context has been acknowledged in environmental flows science, but is often neglected when it comes to examining flow-ecology relationships, and setting and implementing environmental flows. We examined the impacts of land and water use on rivers in the upper Ringarooma River catchment in Tasmania (south-east Australia), which contains intensively irrigated agriculture, to support implementation of a water management plan. Temporal and spatial and trends in river condition were assessed using benthic macroinvertebrates as bioindicators. Relationships between macroinvertebrate community structure and environmental variables were examined using univariate and multivariate analyses, focusing on the impacts of agricultural land use and water use. Structural changes in macroinvertebrate communities in rivers in the catchment indicated temporal and spatial declines in the ecological condition of some stretches of river associated with agricultural land and water use. Moreover, water extraction appeared to exacerbate impairment associated with agricultural land use (e.g., reduced macroinvertebrate density, more flow-avoiding taxa). The findings of our catchment-specific bioassessments will underpin decision-making during the implementation of the Ringarooma water management plan, and highlight the need to consider compounding impacts of land and water use in environmental flows and water planning in agricultural landscapes.

Providing Public Space Continuities in Post-Industrial Areas through Remodelling Land/Water Connections

NASA Astrophysics Data System (ADS)

Burda, Izabela M.; Nyka, Lucyna

2017-10-01

This article examines the problem of urban transformation strategies applied in recent years which are based on the creation of new water areas and modification of existing ones. The research is an attempt to prove that modifications of plans of water areas and forms of their borders may play an important role in achieving the best quality public spaces in post-industrial territories. The basis for demonstrating the importance of modifying water borders, and introducing new forms of water-based structures in cities, are theoretical surveys, comparative studies and in-field analyses. It can be seen that post-industrial areas, which used to create voids in the urban fabric, can be perceived as unique but isolated places that should be integrated into the layout of cities. Thus, creating continuity of public spaces that will relate converted areas to their surroundings is a well-known objective of many transformation strategies. This research proves that an effective strategy toward achieving this goal can be based on the modification of relationships between land and water. Namely, the introduction of new water areas, designing new pieces of land that protrude into the water, softening the boundaries of water lines or the opposite, like structuring smaller water flows into well-defined canals, may significantly contribute to the quality of public spaces. As such, all of this fosters the development of sustainable cities and contributes significantly to the emergence of high-quality urban landscapes.

Water-Level Data for the Albuquerque Basin and Adjacent Areas, Central New Mexico, Period of Record Through September 30, 2006

USGS Publications Warehouse

Beman, Joseph E.

2007-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25 to 40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompass the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin are currently (2007) obtained solely from ground-water resources. An increase of about 20 percent in the population from 1990 to 2000 also resulted in an increased demand for water. From April 1982 through September 1983, a network of wells was established to monitor changes in ground-water levels throughout the basin. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly. Currently (2007), the network consists of 133 wells and piezometers. This report presents water-level data collected by U.S. Geological Survey personnel at 133 sites through 2007.

Managing ecological drought and flood within a nature-based approach. Reality or illusion?

NASA Astrophysics Data System (ADS)

Halbac-Cotoara-Zamfir, Rares; Finger, David; Stolte, Jannes

2017-04-01

Water hazards events, emphasized by an improperly implemented water management, may lead to ecological degradation of ecosystems. Traditional water management has generally sought to dampen the natural variability of water flows in different types of ecosystems to attain steady and dependable water supplies for domestic and industrial uses, irrigation, navigation, and hydropower, and to moderate extreme water conditions such as floods and droughts. Ecological drought can be defined as a prolonged and widespread deficit in available water supplies — including changes in natural and managed hydrology — that create multiple stresses across ecosystems, becomes a critical concern among researchers being a phenomenon much more complex than the other types of drought and requesting a specific approach. The impact of drought on ecosystem services lead to the necessity of identifying and implementing eco-reclamation measures which can generate better ecological answers to droughts. Ecological flood is the type of flood analyzed in full consideration with ecological issues, in the analyze process being approached 4 key aspects: connectivity of water system, landscapes of river and lakes, mobility of water bodies, and safety of flood control. As a consequence, both ecological drought and ecological flood represents high challenges for ecological sustainable water management in the process of identifying structural and non-structural measures for covering human demands without causing affected ecosystems to degrade or simplify. An ecological flood and drought control system will combine both the needs of the ecosystems as well as and flood and drought control measures. The components ecosystems' natural flow regime defined by magnitude, frequency, duration and peak timing (high or low flows) interact to maintain the ecosystem productivity. This productivity can be impaired by altered flow regimes generally due to structural measures designed to control flooding. However, from an ecological perspective, floods are not disasters in the sense that human society typically views them. Considering all previous aspects, it is clear that events like floods and droughts can't be avoided, but the hydrological extremes related to these events can be sustainable managed using a series of actions based on two inter-connected approaches: prevention approach and post-event management approach. The main objective remains the necessity of limiting the consequences of water hazards on socio-economic sectors but also the need of quickly and sustainable recovering after an event like this. However, the question still remains valid: Ecological flood and ecological drought can be managed through a nature-based approach? This paper will focus on a theoretical analysis of these "ecological" hydro-meteorological events and will debate a possible nature-based approach for their sustainable management.

Impact craters as biospheric microenvironments, Lawn Hill Structure, Northern Australia.

PubMed

Lindsay, John; Brasier, Martin

2006-04-01

Impact craters on Mars act as traps for eolian sediment and in the past may have provided suitable microenvironments that could have supported and preserved a stressed biosphere. If this is so, terrestrial impact structures such as the 18-km-diameter Lawn Hill Structure, in northern Australia, may prove useful as martian analogs. We sampled outcrop and drill core from the carbonate fill of the Lawn Hill Structure and recorded its gamma-log signature. Facies data along with whole rock geochemistry and stable isotope signatures show that the crater fill is an outlier of the Georgina Basin and was formed by impact at, or shortly before, approximately 509-506 million years ago. Subsequently, it was rapidly engulfed by the Middle Cambrian marine transgression, which filled it with shallow marine carbonates and evaporites. The crater formed a protected but restricted microenvironment in which sediments four times the thickness of the nearby basinal succession accumulated. Similar structures, common on the martian surface, may well have acted as biospheric refuges as the planet's water resources declined. Low-pH aqueous environments on Earth similar to those on Mars, while extreme, support diverse ecologies. The architecture of the eolian crater fill would have been defined by long-term ground water cycles resulting from intermittent precipitation in an extremely arid climate. Nutrient recycling, critical to a closed lacustrine sub-ice biosphere, could be provided by eolian transport onto the frozen water surface.

Chlorophyll-a thin layers in the Magellan fjord system: The role of the water column stratification

NASA Astrophysics Data System (ADS)

Ríos, Francisco; Kilian, Rolf; Mutschke, Erika

2016-08-01

Fjord systems represent hotspots of primary productivity and organic carbon burial. However, the factors which control the primary production in mid-latitude fjords are poorly understood. In this context, results from the first fine-scale measurements of bio-oceanographic features in the water column of fjords associated with the Strait of Magellan are presented. A submersible fluorescence probe (FP) was used to measure the Chlorophyll-a (Chl-a) concentration in situ, along with conductivity, temperature, hydrostatic pressure (depth) and dissolved oxygen (CTD-O2) of the water column. The Austral spring results of 14 FP-CTD-O2 profiles were used to define the vertical and horizontal patches of the fluorescent pigment distribution and their spatial relations with respect to the observed hydrographic features. Three zones with distinct water structures were defined. In all zones, the 'brown' spectral group (diatoms and dinoflagellates) predominated accounting for >80 wt% of the phytoplankton community. Thin layers with high Chl-a concentration were detected in 50% of the profiles. These layers harbored a substantial amount (30-65 wt%) of the phytoplankton biomass. Stratification was positively correlated to the occurrence of Chl-a thin layers. In stable and highly stratified water columns the integrated Chl-a concentration was higher and frequently located within thin layers whereas well mixed water columns displayed lower values and more homogeneous vertical distribution of Chl-a. These results indicate that mixing/stability processes are important factors accounting to the vertical distribution of Chl-a in Magellan fjords.

Estimation of Transpiration and Water Use Efficiency Using Satellite and Field Observations

NASA Technical Reports Server (NTRS)

Choudhury, Bhaskar J.; Quick, B. E.

2003-01-01

Structure and function of terrestrial plant communities bring about intimate relations between water, energy, and carbon exchange between land surface and atmosphere. Total evaporation, which is the sum of transpiration, soil evaporation and evaporation of intercepted water, couples water and energy balance equations. The rate of transpiration, which is the major fraction of total evaporation over most of the terrestrial land surface, is linked to the rate of carbon accumulation because functioning of stomata is optimized by both of these processes. Thus, quantifying the spatial and temporal variations of the transpiration efficiency (which is defined as the ratio of the rate of carbon accumulation and transpiration), and water use efficiency (defined as the ratio of the rate of carbon accumulation and total evaporation), and evaluation of modeling results against observations, are of significant importance in developing a better understanding of land surface processes. An approach has been developed for quantifying spatial and temporal variations of transpiration, and water-use efficiency based on biophysical process-based models, satellite and field observations. Calculations have been done using concurrent meteorological data derived from satellite observations and four dimensional data assimilation for four consecutive years (1987-1990) over an agricultural area in the Northern Great Plains of the US, and compared with field observations within and outside the study area. The paper provides substantive new information about interannual variation, particularly the effect of drought, on the efficiency values at a regional scale.

A molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics.

PubMed

Das, Subhadip; Baghel, Vikesh Singh; Roy, Sudip; Kumar, Rajnish

2015-04-14

One of the options suggested for methane recovery from natural gas hydrates is molecular replacement of methane by suitable guests like CO2 and N2. This approach has been found to be feasible through many experimental and molecular dynamics simulation studies. However, the long term stability of the resultant hydrate needs to be evaluated; the decomposition rate of these hydrates is expected to depend on the interaction between these guest and water molecules. In this work, molecular dynamics simulation has been performed to illustrate the effect of guest molecules with different sizes and interaction strengths with water on structure I (SI) hydrate decomposition and hence the stability. The van der Waals interaction between water of hydrate cages and guest molecules is defined by Lennard Jones potential parameters. A wide range of parameter spaces has been scanned by changing the guest molecules in the SI hydrate, which acts as a model gas for occupying the small and large cages of the SI hydrate. All atomistic simulation results show that the stability of the hydrate is sensitive to the size and interaction of the guest molecules with hydrate water. The increase in the interaction of guest molecules with water stabilizes the hydrate, which in turn shows a slower rate of hydrate decomposition. Similarly guest molecules with a reasonably small (similar to Helium) or large size increase the decomposition rate. The results were also analyzed by calculating the structural order parameter to understand the dynamics of crystal structure and correlated with the release rate of guest molecules from the solid hydrate phase. The results have been explained based on the calculation of potential energies felt by guest molecules in amorphous water, hydrate bulk and hydrate-water interface regions.

System Dynamics Approach for Critical Infrastructure and Decision Support. A Model for a Potable Water System.

NASA Astrophysics Data System (ADS)

Pasqualini, D.; Witkowski, M.

2005-12-01

The Critical Infrastructure Protection / Decision Support System (CIP/DSS) project, supported by the Science and Technology Office, has been developing a risk-informed Decision Support System that provides insights for making critical infrastructure protection decisions. The system considers seventeen different Department of Homeland Security defined Critical Infrastructures (potable water system, telecommunications, public health, economics, etc.) and their primary interdependencies. These infrastructures have been modeling in one model called CIP/DSS Metropolitan Model. The modeling approach used is a system dynamics modeling approach. System dynamics modeling combines control theory and the nonlinear dynamics theory, which is defined by a set of coupled differential equations, which seeks to explain how the structure of a given system determines its behavior. In this poster we present a system dynamics model for one of the seventeen critical infrastructures, a generic metropolitan potable water system (MPWS). Three are the goals: 1) to gain a better understanding of the MPWS infrastructure; 2) to identify improvements that would help protect MPWS; and 3) to understand the consequences, interdependencies, and impacts, when perturbations occur to the system. The model represents raw water sources, the metropolitan water treatment process, storage of treated water, damage and repair to the MPWS, distribution of water, and end user demand, but does not explicitly represent the detailed network topology of an actual MPWS. The MPWS model is dependent upon inputs from the metropolitan population, energy, telecommunication, public health, and transportation models as well as the national water and transportation models. We present modeling results and sensitivity analysis indicating critical choke points, negative and positive feedback loops in the system. A general scenario is also analyzed where the potable water system responds to a generic disruption.

Hydrodynamic Forces on Spillway Torque-Tube Gates

DTIC Science & Technology

2010-10-01

damping coefficient associated with that of an equivalent viscous damper representing the energy dissipation mechanism from the structure itself plus the...in the figure the viscous damper with coef- ficient CD that exerts the drag force on the gate. The degree of freedom is defined as the rotation of...the following simplifying as- sumptions are postulated. Water is assumed an incompressible, inviscid, and homogeneous fluid , and its flow is taken as

Structural assignment of poecillastrins B and C, macrolide lactams from the deep-water Caribbean sponge Poecillastra species.

PubMed

Takada, Kentaro; Choi, Byoung W; Rashid, Mohammad A; Gamble, William R; Cardellina, John H; Van, Que N; Lloyd, John R; McMahon, James B; Gustafson, Kirk R

2007-03-01

Two new chondropsin-type macrolide lactams, poecillastrins B (1) and C (2), were isolated from aqueous extracts of the marine sponge Poecillastra sp. These trace metabolites were isolated in low yield (400-600 microg), and their structures were determined primarily by analysis of NMR data acquired using a cyrogenically cooled probe. High-quality 1D and 2D NMR data sets allowed complete assignment of the spectroscopic data and defined the new structures as 35-membered ring analogues of poecillastrin A (3). Compounds 1 and 2 showed potent cytotoxic activity against a human melanoma tumor cell line (LOX) with an IC50 value of less than 1 microg/mL.

Geologic and mineral and water resources investigations in western Colorado, using Skylab EREP data

NASA Technical Reports Server (NTRS)

Lee, K. (Principal Investigator); Prost, G. L.; Knepper, D. H.; Sawatzky, D. L.; Huntley, D.; Weimer, R. J.

1975-01-01

The author has identified the following significant results. Skylab photographs are superior to ERTS images for photogeologic interpretation, primarily because of improved resolution. Lithologic contacts can be detected consistently better on Skylab S190A photos than on ERTS images. Color photos are best; red and green band photos are somewhat better than color-infrared photos; infrared band photos are worst. All major geologic structures can be recognized on Skylab imagery. Large folds, even those with very gentle flexures, can be mapped accurately and with confidence. Bedding attitudes of only a few degrees are recognized; vertical exaggeration factor is about 2.5X. Mineral deposits in central Colorado may be indicated on Skylab photos by lineaments and color anomalies, but positive identification of these features is not possible. S190A stereo color photography is adequate for defining drainage divides that in turn define the boundaries and distribution of ground water recharge and discharge areas within a basin.

Long-term hydrologic effects on marsh plant community structure in the southern Everglades

USGS Publications Warehouse

Busch, David E.; Loftus, W.F.; Bass, O.L.

1998-01-01

Although large-scale transformation of Everglades landscapes has occurred during the past century, the patterns of association among hydrologic factors and southern Everglades freshwater marsh vegetation have not been well-defined. We used a 10-year data base on the aquatic biota of Shark Slough to classify vegetation and describe plant community change in intermediate- to long-hydroperiod Everglades marshes. Study area marsh vegetation was quantitatively grouped into associations dominated by 1) Cladium jamaicense, 2) a group of emergents including Eleocharis cellulosa, Sagittaria lancifolia, and Rhyncospora tracyi, 3) taxa associated with algal mats (Utricularia spp. and Bacopa caroliniana), and 4) the grasses Panicum hemitomon and Paspalidium geminatum. During the decade evaluated, the range of water depths that characterized our study sites approached both extremes depicted in the 40-year hydrologic record for the region. Water depths were near the long-term average during the mid-1980s, declined sharply during a late 1980s drought, and underwent a prolonged increase from 1991 through 1995. Overall macrophyte cover varied inversely with water depth, while the response of periphyton was more complex. An ordination analysis, based on plant species abundance, revealed that study area vegetation structure was associated with hydrologic patterns. Marsh plant community structure showed evidence of cyclic interannual variation corresponding to hydrologic change over the decade evaluated. Lower water depths, the occurrence of marl substrates, and high periphyton cover were correlated. These factors contributed to reduced macrophyte cover in portions of the study area from which water had been diverted.

Insulative laser shell coupler

DOEpatents

Arnold, Phillip A.; Anderson, Andrew T.; Alger, Terry W.

1994-01-01

A segmented coaxial laser shell assembly having at least two water jacket sections, two pairs of interconnection half rings, a dialectric break ring, and a pair of threaded ring sections. Each water jacket section with an inner tubular section that defines an inner laser cavity with water paths adjacent to at least a portion of the exterior of the inner tubular section, and mating faces at the end of the water jacket section through which the inner laser cavity opens and which defines at least one water port therethrough in communication with the water jackets. The water paths also define in their external surface a circumferential notch set back from and in close proximity to the mating face. The dielectric break ring has selected thickness and is placed between, and in coaxial alignment with, the mating faces of two of the adjacent water jacket sections. The break ring also defines an inner laser cavity of the same size and shape as the inner laser cavity of the water jacket sections and at least one water passage through the break ring to communicate with at least one water port through the mating faces of the water jacket sections.

Insulative laser shell coupler

DOEpatents

Arnold, P.A.; Anderson, A.T.; Alger, T.W.

1994-09-20

A segmented coaxial laser shell assembly having at least two water jacket sections, two pairs of interconnection half rings, a dielectric break ring, and a pair of threaded ring sections is disclosed. Each water jacket section with an inner tubular section that defines an inner laser cavity with water paths adjacent to at least a portion of the exterior of the inner tubular section, and mating faces at the end of the water jacket section through which the inner laser cavity opens and which defines at least one water port therethrough in communication with the water jackets. The water paths also define in their external surface a circumferential notch set back from and in close proximity to the mating face. The dielectric break ring has selected thickness and is placed between, and in coaxial alignment with, the mating faces of two of the adjacent water jacket sections. The break ring also defines an inner laser cavity of the same size and shape as the inner laser cavity of the water jacket sections and at least one water passage through the break ring to communicate with at least one water port through the mating faces of the water jacket sections. 4 figs.

United polarizable multipole water model for molecular mechanics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu

2015-07-07

We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interactionmore » site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.« less

Facile fabrication of well-defined hydrogel beads with magnetic nanocomposite shells.

PubMed

Liu, Hongxia; Wang, Chaoyang; Gao, Quanxing; Chen, Jianxin; Ren, Biye; Liu, Xinxing; Tong, Zhen

2009-07-06

Well-defined magnetic nanocomposite beads with alginate gel cores and shells of iron oxide (gamma-Fe(2)O(3)) nanoparticles were prepared by self-assembly of colloidal particles at liquid-liquid interfaces and subsequent in situ gelation. Fe(2)O(3) nanoparticles could spontaneously adsorb onto the water droplet surfaces to stabilize water-in-hexane emulsions. Water droplets containing sodium alginate were in situ gelled by calcium cations, which were released from calcium-ethylenediamine tetraacetic acid (Ca-EDTA) chelate by decreasing pH value through slow hydrolysis of d-glucono-delta-lactone (GDL). The resulting hybrid beads with a core-shell structure were easily collected by removing hexane. This facile and high efficient fabrication had a 100% yield and could be carried out at room temperature. Insulin microcrystal was encapsulated into the hybrid beads by dispersing them in the aqueous solution of alginate sodium in the fabrication process. The sustained release could be obtained due to the dual barriers of the hydrogel core and the close-packed inorganic shell. The release curves were nicely fitted by the Weibull equation and the release followed Fickian diffusion. The hybrid beads may find applications as delivery vehicles for biomolecules, drugs, cosmetics, food supplements and living cells.

Plant responses, climate pivot points, and trade-offs in water-limited ecosystems

NASA Astrophysics Data System (ADS)

Munson, S. M.; Bunting, E.

2017-12-01

Ecosystem transitions and thresholds are conceptually well-defined and have become a framework to address vegetation response to climate change and land-use intensification, yet there are few approaches to define the environmental conditions which can lead to them. We demonstrate a novel climate pivot point approach using long-term monitoring data from a broad network of permanent plots, satellite imagery, and experimental treatments across the southwestern U.S. The climate pivot point identifies conditions that lead to decreased plant performance and serves as an early warning sign of increased vulnerability of crossing a threshold into an altered ecosystem state. Plant responses and climate pivot points aligned with the lifespan and structural characteristics of species, were modified by soil and landscape attributes of a site, and had non-linear dynamics in some cases. Species with strong increases in abundance when water was available were most susceptible to losses during water shortages, reinforcing plant energetic and physiological tradeoffs. Future research to uncover the heterogeneity of plant responses and climate pivot points at multiple scales can lead to greater understanding of shifts in ecosystem productivity and vulnerability to climate change.

Large-scale variability in marine stratocumulus clouds defined from simultaneous aircraft and satellite measurements

NASA Technical Reports Server (NTRS)

Albrecht, Bruce A.; Barlow, Roy W.

1990-01-01

Satellite images often show significant variations in the structure of marine stratocumulus clouds on scales ranging from 10 to 1000 km. This is illustrated where a GOES West satellite image shows a well-defined variation in cloud structure near 32 N, 122 W on 30 June 1987. Aircraft measurements were made with the UK C-130 and the NCAR Electra on this day as part of the FIRE Marine Stratocumulus Intensive Field Observations (IFO). The mean, turbulent, and the microphysical structure of the clouds sampled in these two areas are compared an an attempt is made to explain the differences in cloud structure. In an attempt to identify any systematic differences between the measurements made with the two aircraft, data were analyzed that were collected on 14 July 1987 with the C-130 and the Electra flying in close formation at an altitude of 250 m. The microphysical and turbulence data are being compared in an attempt to explain the differences in the cloud liquid water content obtained with the two aircraft and the differences in cloud structure shown by the GOES image. In addition, data are being analyzed for three other days during the experiment when coordinated downstream flights were made with the Electra and the C-130.

Hydrogeologic framework of Antelope Valley and Bedell Flat, Washoe County, west-central Nevada

USGS Publications Warehouse

Berger, D.L.; Ponce, D.A.; Ross, W.C.

2001-01-01

Description of the hydrogeologic framework of Antelope Valley and Bedell Flat in west-central Nevada adds to the general knowledge of regional ground-water flow north of the Reno-Sparks metropolitan area. The hydrogeologic framework is defined by the rocks and deposits that transmit ground water or impede its movement and by the combined thickness of Cenozoic deposits. When data are lacking about the subsurface geology of an area, geophysical methods can be used to provide additional information. In this study, gravimetric and seismic-refraction methods were used to infer the form of structural features and to estimate the thickness of Cenozoic deposits in each of the two valleys. In Antelope Valley, the thickness of these deposits probably does not exceed about 300 feet, suggesting that ground-water storage in the basin-fill aquifer is limited. Beneath Bedell Flat is an elongated, northeast-trending structural depression in the pre-Cenozoic basement; the maximum thickness of Cenozoic deposits is about 2,500 feet beneath the south-central part of the valley. Shallow ground water in the northwest corner of Bedell Flat may be a result of decreasing depth to the pre-Cenozoic basement.

The effect of MRET polymer compound on SAR values of RF phones.

PubMed

Smirnov, Igor

2008-01-01

This article is related to the proposed hypothesis and experimental data regarding the ability of defined polar polymer compound (MRET polymer) applied to RF phones to increase the dielectric permittivity of water based solutions and to reduce the SAR (Specific Absorption Rate) values inside the "phantom head" filled with the jelly simulating muscle and brain tissues. Due to the high organizational state of fractal structures of MRET polymer compounds and the phenomenon of piezoelectricity, this polymer generates specific subtle, low frequency, non-coherent electromagnetic oscillations (optimal random field) that can affect the hydrogen lattice of the molecular structure of water and subsequently modify the electrodynamic properties of water. The increase of dielectric permittivity of water finally leads to the reduction of the absorption rate of the electromagnetic field by living tissue. The reduction of SAR values is confirmed by the research conducted in June - July of 2006 at RF Exposure Laboratory in Escondido, California. This test also confirmed that the application of MRET polymer to RF phones does not significantly affect the air measurements of RF phone signals, and subsequently does not lead to any significant distortion of transmitted RF signals.

Water dissociative adsorption on NiO(111): Energetics and structure of the hydroxylated surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Wei; Bajdich, Michal; Carey, Spencer

The energetics of the reactions of water with metal oxide surfaces are of tremendous interest for catalysis, electrocatalysis, and geochemistry, yet the energy for the dissociative adsorption of water was only previously measured on one well-defined oxide surface, iron oxide. In the present paper, the enthalpy of the dissociative adsorption of water is measured on NiO(111)-2 × 2 at 300 K using single-crystal adsorption calorimetry. The differential heat of dissociative adsorption decreases with coverage from 170 to 117 kJ/mol in the first 0.25 ML of coverage. Water adsorbs molecularly on top of that, with a heat of ~92 kJ/mol. Densitymore » functional theory (DFT) calculations reproduce the measured energies well (all within 17 kJ/mol) and provide insight into the atomic-level structure of the surfaces studied experimentally. They show that the oxygen-terminated O-octo(2 × 2) structure is the most stable NiO(111)-2 × 2 termination and gives reaction energies with water that are more consistent with the calorimetry results than the metal-terminated surface. They show that water adsorbs dissociatively on this (2 × 2)-O-octo surface to produce a hydroxyl-covered surface with a heat of adsorption of 171 ± 5 kJ/mol in the low-coverage limit (very close to 170 kJ/mol experimentally) and an integral heat that decreases by 14 kJ/mol up to saturation (compared to ~30 kJ/mol experimentally). As a result, sensitivity of this reaction’s energy to choice of DFT method is tested using a variety of different exchange correlation functionals, including HSE06, and found to be quite weak.« less

Water dissociative adsorption on NiO(111): Energetics and structure of the hydroxylated surface

DOE PAGES

Zhao, Wei; Bajdich, Michal; Carey, Spencer; ...

2016-09-19

The energetics of the reactions of water with metal oxide surfaces are of tremendous interest for catalysis, electrocatalysis, and geochemistry, yet the energy for the dissociative adsorption of water was only previously measured on one well-defined oxide surface, iron oxide. In the present paper, the enthalpy of the dissociative adsorption of water is measured on NiO(111)-2 × 2 at 300 K using single-crystal adsorption calorimetry. The differential heat of dissociative adsorption decreases with coverage from 170 to 117 kJ/mol in the first 0.25 ML of coverage. Water adsorbs molecularly on top of that, with a heat of ~92 kJ/mol. Densitymore » functional theory (DFT) calculations reproduce the measured energies well (all within 17 kJ/mol) and provide insight into the atomic-level structure of the surfaces studied experimentally. They show that the oxygen-terminated O-octo(2 × 2) structure is the most stable NiO(111)-2 × 2 termination and gives reaction energies with water that are more consistent with the calorimetry results than the metal-terminated surface. They show that water adsorbs dissociatively on this (2 × 2)-O-octo surface to produce a hydroxyl-covered surface with a heat of adsorption of 171 ± 5 kJ/mol in the low-coverage limit (very close to 170 kJ/mol experimentally) and an integral heat that decreases by 14 kJ/mol up to saturation (compared to ~30 kJ/mol experimentally). As a result, sensitivity of this reaction’s energy to choice of DFT method is tested using a variety of different exchange correlation functionals, including HSE06, and found to be quite weak.« less

Recent results on the exchange of physical properties between the Gulf of California and the Pacific.

NASA Astrophysics Data System (ADS)

Mascarenhas, A.

2001-11-01

The entrance to the Gulf of California, the only evaporative basin on the Pacific, is wide (200 km) and deep (>2.5 km), allowing free exchanges of waters with the Pacific Ocean. Although being comparable to the Mediterranean and Red Seas with respect to evaporation rate (0.61 m/year), the gulf differs from these seas because it actually gains heat at an annual rate of 60 W/m^2. These water loss and heat gain result in modification of water properties, creation of unique water masses, and strong exchanges with the Pacific Ocean. Here the results of the analysis of a recent set of observations is discussed from the point of view of exchange of thermohaline properties and the fluxes of heat, salt and volume. The thermohaline structure at the entrance to the Gulf suggested a thermal (saline) gradient toward Sinaloa (Baja California) shelf. This structure is associated to a cyclonic gyre that is not well defined in the upper layer due to the influence of the wind field. The computed heat flux display an annual cycle with maximum outflow (inflow) during November (May). The salt outflow maximum occurs when the Gulf of California Water is most predominant in the entrance (winter and spring). The volume fluxes appear to have a semiannual signal.

Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril.

PubMed

Nguyen, Crystal N; Young, Tom Kurtzman; Gilson, Michael K

2012-07-28

The displacement of perturbed water upon binding is believed to play a critical role in the thermodynamics of biomolecular recognition, but it is nontrivial to unambiguously define and answer questions about this process. We address this issue by introducing grid inhomogeneous solvation theory (GIST), which discretizes the equations of inhomogeneous solvation theory (IST) onto a three-dimensional grid situated in the region of interest around a solute molecule or complex. Snapshots from explicit solvent simulations are used to estimate localized solvation entropies, energies, and free energies associated with the grid boxes, or voxels, and properly summing these thermodynamic quantities over voxels yields information about hydration thermodynamics. GIST thus provides a smoothly varying representation of water properties as a function of position, rather than focusing on hydration sites where solvent is present at high density. It therefore accounts for full or partial displacement of water from sites that are highly occupied by water, as well as for partly occupied and water-depleted regions around the solute. GIST can also provide a well-defined estimate of the solvation free energy and therefore enables a rigorous end-states analysis of binding. For example, one may not only use a first GIST calculation to project the thermodynamic consequences of displacing water from the surface of a receptor by a ligand, but also account, in a second GIST calculation, for the thermodynamics of subsequent solvent reorganization around the bound complex. In the present study, a first GIST analysis of the molecular host cucurbit[7]uril is found to yield a rich picture of hydration structure and thermodynamics in and around this miniature receptor. One of the most striking results is the observation of a toroidal region of high water density at the center of the host's nonpolar cavity. Despite its high density, the water in this toroidal region is disfavored energetically and entropically, and hence may contribute to the known ability of this small receptor to bind guest molecules with unusually high affinities. Interestingly, the toroidal region of high water density persists even when all partial charges of the receptor are set to zero. Thus, localized regions of high solvent density can be generated in a binding site without strong, attractive solute-solvent interactions.

Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril

PubMed Central

Nguyen, Crystal N.; Kurtzman Young, Tom; Gilson, Michael K.

2012-01-01

The displacement of perturbed water upon binding is believed to play a critical role in the thermodynamics of biomolecular recognition, but it is nontrivial to unambiguously define and answer questions about this process. We address this issue by introducing grid inhomogeneous solvation theory (GIST), which discretizes the equations of inhomogeneous solvation theory (IST) onto a three-dimensional grid situated in the region of interest around a solute molecule or complex. Snapshots from explicit solvent simulations are used to estimate localized solvation entropies, energies, and free energies associated with the grid boxes, or voxels, and properly summing these thermodynamic quantities over voxels yields information about hydration thermodynamics. GIST thus provides a smoothly varying representation of water properties as a function of position, rather than focusing on hydration sites where solvent is present at high density. It therefore accounts for full or partial displacement of water from sites that are highly occupied by water, as well as for partly occupied and water-depleted regions around the solute. GIST can also provide a well-defined estimate of the solvation free energy and therefore enables a rigorous end-states analysis of binding. For example, one may not only use a first GIST calculation to project the thermodynamic consequences of displacing water from the surface of a receptor by a ligand, but also account, in a second GIST calculation, for the thermodynamics of subsequent solvent reorganization around the bound complex. In the present study, a first GIST analysis of the molecular host cucurbit[7]uril is found to yield a rich picture of hydration structure and thermodynamics in and around this miniature receptor. One of the most striking results is the observation of a toroidal region of high water density at the center of the host's nonpolar cavity. Despite its high density, the water in this toroidal region is disfavored energetically and entropically, and hence may contribute to the known ability of this small receptor to bind guest molecules with unusually high affinities. Interestingly, the toroidal region of high water density persists even when all partial charges of the receptor are set to zero. Thus, localized regions of high solvent density can be generated in a binding site without strong, attractive solute-solvent interactions. PMID:22852591

3D nano-structures for laser nano-manipulation

PubMed Central

Seniutinas, Gediminas; Gervinskas, Gediminas; Brasselet, Etienne; Juodkazis, Saulius

2013-01-01

Summary The resputtering of gold films from nano-holes defined in a sacrificial PMMA mask, which was made by electron beam lithography, was carried out with a dry plasma etching tool in order to form well-like structures with a high aspect ratio (height/width ≈ 3–4) at the rims of the nano-holes. The extraordinary transmission through the patterns of such nano-wells was investigated experimentally and numerically. By doing numerical simulations of 50-nm and 100-nm diameter polystyrene beads in water and air, we show the potential of such patterns for self-induced back-action (SIBA) trapping. The best trapping conditions were found to be a trapping force of 2 pN/W/μm2 (numerical result) exerted on a 50-nm diameter bead in water. The simulations were based on the analytical Lorentz force model. PMID:24062979

Active microwave remote sensing research program plan. Recommendations of the Earth Resources Synthetic Aperture Radar Task Force. [application areas: vegetation canopies, surface water, surface morphology, rocks and soils, and man-made structures

NASA Technical Reports Server (NTRS)

1980-01-01

A research program plan developed by the Office of Space and Terrestrial Applications to provide guidelines for a concentrated effort to improve the understanding of the measurement capabilities of active microwave imaging sensors, and to define the role of such sensors in future Earth observations programs is outlined. The focus of the planned activities is on renewable and non-renewable resources. Five general application areas are addressed: (1) vegetation canopies, (2) surface water, (3) surface morphology, (4) rocks and soils, and (5) man-made structures. Research tasks are described which, when accomplished, will clearly establish the measurement capabilities in each area, and provide the theoretical and empirical results needed to specify and justify satellite systems using imaging radar sensors for global observations.

Synthesis, characterization, and rheological studies of model water-soluble graft copolymers for application in enhanced oil recovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, L.S.

1982-12-01

Model water-soluble graft copolymers have been synthesized with acrylamide as the major grafting monomer and dextran as the substrate in order to define more clearly the structural parameters that are important in enhanced oil recovery applications. The structures of the model graft copolymer samples were studied by aqueous size exclusion chromatography, viscometry, elemental analysis, and selective hydrolysis of the graft copolymer backbone. The grafting systems with selected grafting monomers included Fe(II)/H/sub 2/O/sub 2/ with acrylamide, and Ce(IV)/HNO/sub 3/ with acrylamide, acrylamide/2-acrylamido-2-meth propane sulfonic acid, or acrylamide/diacetone acrylamide. The viscosity and pseudoplasticity of the resulting graft copolymers were affected by bothmore » total molecular weight and length of grafted chains; however, the latter was apparently more important when behavior was compared to linear counterparts.« less

Model or Myopia? Exploiting Water Markets to Address Population and Drought Risks in a Changing World

NASA Astrophysics Data System (ADS)

Reed, P. M.

2012-12-01

Climate change, population demands, and evolving land-use represent strong risks to the sustainable development and stability of world-wide urban water supplies. There is a growing consensus that non-structural supply management instruments such as water markets have significant potential to reduce the risks and vulnerabilities in complex urban water systems. This paper asks a common question, what are the tradeoffs for a city using water market supply instruments?. This question emerges quickly in policy and management, but its answer is deceptively difficult to attain using traditional planning tools and management frameworks. This research demonstrates new frameworks that facilitate rapid evaluation of hypotheses on the reliability, resiliency, adaptability, and cost-effectiveness of urban water supply systems. This study considers a broader exploration of the issues of "nonstationarity" and "uncertainty" in urban water planning. As we invest in new information and prediction frameworks for the coupled human-natural systems that define our water, our problem definitions (i.e., objectives, constraints, preferences, and hypotheses) themselves evolve. From a formal mathematical perspective, this means that our management problems are structurally uncertain and nonstationary (i.e., the definition of optimality changes across regions, times, and stakeholders). This uncertainty and nonstationarity in our problem definitions needs to be more explicitly acknowledged in adaptive management and integrated water resources management. This study demonstrates the potential benefits of exploring these issues in the context of a city in the Lower Rio Grande Valley (LRGV) of Texas, USA determining how to use its regional water market to manage population and drought risks.

Validating Variance Similarity Functions in the Entrainment Zone

NASA Astrophysics Data System (ADS)

Osman, M.; Turner, D. D.; Heus, T.; Newsom, R. K.

2017-12-01

In previous work, the water vapor variance in the entrainment zone was proposed to be proportional to the convective velocity scale, gradient water vapor mixing ratio and the Brunt-Vaisala frequency in the interfacial layer, while the variance of the vertical wind at in the entrainment zone was defined in terms of the convective velocity scale. The variances in the entrainment zone have been hypothesized to depend on two distinct functions, which also depend on the Richardson number. To the best of our knowledge, these hypotheses have never been tested observationally. Simultaneous measurements of the Eddy correlation surface flux, wind shear profiles from wind profilers, and variance profile measurements of vertical motions and water vapor by Doppler and Raman lidars, respectively, provide a unique opportunity to thoroughly examine the functions used in defining the variances and validate them. These observations were made over the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site. We have identified about 30 cases from 2016 during which the convective boundary layer (CBL) is quasi-stationary and well mixed for at least 2 hours. The vertical profiles of turbulent fluctuations of the vertical wind and water vapor have been derived using an auto covariance technique to separate out the instrument random error to a set of 2-h period time series. The error analysis of the lidars observations demonstrates that the lidars are capable of resolving the vertical structure of turbulence around the entrainment zone. Therefore, utilizing this unique combination of observations, this study focuses on extensively testing the hypotheses that the second-order moments are indeed proportional to the functions which also depend on Richardson number. The coefficients that are used in defining the functions will also be determined observationally and compared against with the values suggested by Large eddy simulation (LES) studies.

A feasibility study for using ABS plastic and a low-cost 3D printer for patient-specific brachytherapy mould design.

PubMed

Harris, Benjamin D; Nilsson, Sanna; Poole, Christopher M

2015-09-01

This feasibility study aims to determine if a low-cost 3D printer (BitsFromBytes 3D Touch) with ABS plastic can print custom mould structures and catheter channels defined in a brachytherapy treatment planning system (Nucletron Oncentra) for patient-specific treatment. Printer accuracy was evaluated through physical measurement, and print quality was investigated by adjusting print parameters (print speed, layer thickness, percentage infill). Catheter positioning and reproducibility were measured over repeated insertions. ABS plastic water equivalency was investigated by comparing Ir-192 HDR source dose distributions, measured with radiochromic film, in ABS plastic and in water. Structures and catheter channels were printed accurately to within 0.5 mm laterally and 1 mm in the vertical print direction. Adjusting print parameters could reduce print time, albeit with reduced print quality. 3.5 mm channel diameters allowed for easy catheter insertion. Catheter positioning was reproducible to within 0.5 mm but, because of catheter flex within the channel, was on average 1 mm offset from defined TPS positions. This offset could be accounted for by repeating the treatment planning CT scan with the printed mould positioned on the patient. Dose attenuation in ABS plastic and in water was equivalent to within the measurement limitations. While clinical uses for this particular low-cost printer and ABS plastic are limited by print size restrictions and non-certification for biocompatibility, it has been demonstrated that a low-cost 3D printer set-up can accurately create custom moulds and catheter channels potentially acceptable for clinical use.

The role of water in gas hydrate dissociation

USGS Publications Warehouse

Circone, S.; Stern, L.A.; Kirby, S.H.

2004-01-01

When raised to temperatures above the ice melting point, gas hydrates release their gas in well-defined, reproducible events that occur within self-maintained temperature ranges slightly below the ice point. This behavior is observed for structure I (carbon dioxide, methane) and structure II gas hydrates (methane-ethane, and propane), including those formed with either H2O- or D2O-host frameworks, and dissociated at either ambient or elevated pressure conditions. We hypothesize that at temperatures above the H2O (or D2O) melting point: (1) hydrate dissociation produces water + gas instead of ice + gas, (2) the endothermic dissociation reaction lowers the temperature of the sample, causing the water product to freeze, (3) this phase transition buffers the sample temperatures within a narrow temperature range just below the ice point until dissociation goes to completion, and (4) the temperature depression below the pure ice melting point correlates with the average rate of dissociation and arises from solution of the hydrate-forming gas, released by dissociation, in the water phase at elevated concentrations. In addition, for hydrate that is partially dissociated to ice + gas at lower temperatures and then heated to temperatures above the ice point, all remaining hydrate dissociates to gas + liquid water as existing barriers to dissociation disappear. The enhanced dissociation rates at warmer temperatures are probably associated with faster gas transport pathways arising from the formation of water product.

Comparative NMR Analysis of an 80-Residue G Protein-Coupled Receptor Fragment in Two Membrane Mimetic Environments

PubMed Central

LS, Cohen; B, Arshava; A, Neumoin; JM, Becker; P, Güntert; O, Zerbe; Naider, F

2011-01-01

Fragments of integral membrane proteins have been used to study the physical chemical properties of regions of transporters and receptors. Ste2p(G31-T110) is an 80-residue polypeptide which contains a portion of the N-terminal domain, transmembrane domain 1 (TM1), intracellular loop 1, TM2 and part of extracellular loop 2 of the α-factor receptor (Ste2p) from Saccharomyces cerevisiae. The structure of this peptide was previously determined to form a helical hairpin in lyso-palmitoylphosphatidyl-glycerol micelles (LPPG)[1]. Herein, we perform a systematic comparison of the structure of this protein fragment in micelles and trifluoroethanol(TFE):water in order to understand whether spectra recorded in organic:aqueous medium can facilitate the structure determination in a micellar environment. Using uniformly labeled peptide and peptide selectively protonated on Ile, Val and Leu methyl groups in a perdeuterated background and a broad set of 3D NMR experiments we assigned 89% of the observable atoms. NOEs and chemical shift analysis were used to define the helical regions of the fragment. Together with constraints from paramagnetic spin labeling, NOEs were used to calculate a transiently folded helical hairpin structure for this peptide in TFE:water. Correlation of chemical shifts was insufficient to transfer assignments from TFE:water to LPPG spectra in the absence of further information. PMID:21791199

Unraveling halide hydration: A high dilution approach.

PubMed

Migliorati, Valentina; Sessa, Francesco; Aquilanti, Giuliana; D'Angelo, Paola

2014-07-28

The hydration properties of halide aqua ions have been investigated combining classical Molecular Dynamics (MD) with Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Three halide-water interaction potentials recently developed [M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144104 (2011)], along with three plausible choices for the value of the absolute hydration free energy of the proton (ΔG [minus sign in circle symbol]hyd[H+]), have been checked for their capability to properly describe the structural properties of halide aqueous solutions, by comparing the MD structural results with EXAFS experimental data. A very good agreement between theory and experiment has been obtained with one parameter set, namely LE, thus strengthening preliminary evidences for a ΔG [minus sign in circle symbol]hyd[H] value of -1100 kJ mol(-1) [M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144104 (2011)]. The Cl(-), Br(-), and I(-) ions have been found to form an unstructured and disordered first hydration shell in aqueous solution, with a broad distribution of instantaneous coordination numbers. Conversely, the F(-) ion shows more ordered and defined first solvation shell, with only two statistically relevant coordination geometries (six and sevenfold complexes). Our thorough investigation on the effect of halide ions on the microscopic structure of water highlights that the perturbation induced by the Cl(-), Br(-), and I(-) ions does not extend beyond the ion first hydration shell, and the structure of water in the F(-) second shell is also substantially unaffected by the ion.

Population-Based Study of Intra-Household Gender Differences in Water Insecurity: Reliability and Validity of a Survey Instrument for Use in Rural Uganda

PubMed Central

Tsai, Alexander C.; Kakuhikire, Bernard; Mushavi, Rumbidzai; Vořechovská, Dagmar; Perkins, Jessica M.; McDonough, Amy Q.; Bangsberg, David R.

2015-01-01

Hundreds of millions of persons worldwide lack adequate access to water. Water insecurity, which is defined as having limited or uncertain availability of safe water or the ability to acquire safe water in socially acceptable ways, is typically overlooked by development organizations focusing on water availability. To address the urgent need in the literature for validated measures of water insecurity, we conducted a population-based study in rural Uganda with 327 reproductive-age women and 204 linked men from the same households. We used a novel method of photo identification so that we could accurately elicit study participants’ primary household water sources, thereby enabling us to identify water sources for objective water quality testing and distance/elevation measurement. Our psychometric analyses provided strong evidence of the internal structure, reliability, and validity of a new 8-item Household Water Insecurity Access Scale. Important intra-household gender differences in perceptions of water insecurity were observed, with men generally perceiving household water insecurity as being less severe compared to women. In summary, the Household Water Insecurity Access Scale represents a reliable and valid measure of water insecurity, particularly among women, and may be useful for informing and evaluating interventions to improve water access in resource limited settings. PMID:27105413

Preparation and characterisation of core-shell CNTs@MIPs nanocomposites and selective removal of estrone from water samples.

PubMed

Gao, Ruixia; Su, Xiaoqian; He, Xiwen; Chen, Langxing; Zhang, Yukui

2011-01-15

This paper reports the preparation of carbon nanotubes (CNTs) functionalized with molecularly imprinted polymers (MIPs) for advanced removal of estrone. CNTs@Est-MIPs nanocomposites with a well-defined core-shell structure were obtained using a semi-covalent imprinting strategy, which employed a thermally reversible covalent bond at the surface of silica-coated CNTs for a large-scale production. The morphology and structure of the products were characterised by transmission electron microscopy and Fourier transform infrared spectroscopy. The adsorption properties were demonstrated by equilibrium rebinding experiments and Scatchard analysis. The results demonstrate that the imprinted nanocomposites possess favourable selectivity, high capacity and fast kinetics for template molecule uptake, yielding an adsorption capacity of 113.5 μmol/g. The synthetic process is quite simple, and the different batches of synthesized CNTs@Est-MIPs nanocomposites showed good reproducibility in template binding. The feasibility of removing estrogenic compounds from environmental water using the CNTs@Est-MIPs nanocomposites was demonstrated using water samples spiked with estrone. Copyright © 2010 Elsevier B.V. All rights reserved.

The IAHR project CCHE-Climate Change impact on the Hydrological cycle, water management and Engineering: an overview and preliminary results

NASA Astrophysics Data System (ADS)

Ranzi, Roberto; Kojiri, T.; Mynett, A.; Barontini, S.; van de Giesen, N.; Kolokytha, E.; Ngo, L. A.; Oreamuno, R.; Renard, B.; Sighomnou, D.; Vizina, A.

2010-05-01

IAHR, the International Association for Hydro-Environment Engineering and Research launched a research Project called Climate Change impact on the Hydrological cycle, water management and Engineering (IAHR CCHE Project). It was motivated by the fact that, although it is now well accepted that, in the light of the recent IPCC reports the vast majority of members of the scientific community are convinced that the climate is changing or at least will experience a significant fluctuation already during the current century, it is perceived that some hydrologists, water experts and hydraulic engineers are not yet ready to incorporate climate change scenarios in their designs for such projects as: - flood protection and river training, - dam rehabilitation, - water resources management under water scarcity and changes in the hydrological regimes. The objective of the project is to encourage a close co-operation between the scientific and engineering communities in taking appropriate and timely action in response to the impact of climate change on the hydrological regime and on water resource projects. The project aims at reporting on (a) the current state of knowledge as regards the impact of projected climate change on the hydrological regime in different regions of the world, where these regions are defined not just in geographic terms but also on the basis of their level of economic and water resources development; (b) the extent to which these impacts are recognized and taken into account by national water authorities, engineering organizations and other regulating bodies in setting their standard practices and procedures for the planning, design and operation of water works. These adaptation measures will include both "hard" responses, such as the construction or enlargement of engineering structures, and "soft" responses, such as changes in legislation or the operating rules of existing structures. An overview of the project and preliminary results extracted from of an Inventory of existing studies and projects considering observed and projected trends in the hydrological regimes of riverbasins and adaptation measures of the structural and non-structural type in Europe, Africa, America, Asia and Oceania and are presented.

Population-based study of intra-household gender differences in water insecurity: reliability and validity of a survey instrument for use in rural Uganda.

PubMed

Tsai, Alexander C; Kakuhikire, Bernard; Mushavi, Rumbidzai; Vořechovská, Dagmar; Perkins, Jessica M; McDonough, Amy Q; Bangsberg, David R

2016-04-01

Hundreds of millions of people worldwide lack adequate access to water. Water insecurity, which is defined as having limited or uncertain availability of safe water or the ability to acquire safe water in socially acceptable ways, is typically overlooked by development organizations focusing on water availability. To address the urgent need in the literature for validated measures of water insecurity, we conducted a population-based study in rural Uganda with 327 reproductive-age women and 204 linked men from the same households. We used a novel method of photo identification so that we could accurately elicit study participants' primary household water sources, thereby enabling us to identify water sources for objective water quality testing and distance/elevation measurement. Our psychometric analyses provided strong evidence of the internal structure, reliability, and validity of a new eight-item Household Water Insecurity Access Scale (HWIAS). Important intra-household gender differences in perceptions of water insecurity were observed, with men generally perceiving household water insecurity as being less severe compared to women. In summary, the HWIAS represents a reliable and valid measure of water insecurity, particularly among women, and may be useful for informing and evaluating interventions to improve water access in resource-limited settings.

Macrofaunal Patterns in and around du Couedic and Bonney Submarine Canyons, South Australia

PubMed Central

Dittmann, Sabine; Sorokin, Shirley J.; Hendrycks, Ed

2015-01-01

Two South Australian canyons, one shelf-incising (du Couedic) and one slope-limited (Bonney) were compared for macrofaunal patterns on the shelf and slope that spanned three water masses. It was hypothesized that community structure would (H1) significantly differ by water mass, (H2) show significant regional differences and (H3) differ significantly between interior and exterior of each canyon. Five hundred and thirty-one species of macrofauna ≥1 mm were captured at 27 stations situated in depth stratified transects inside and outside the canyons from 100 to1500 m depth. The macrofauna showed a positive relationship to depth in abundance, biomass, species richness and community composition while taxonomic distinctness and evenness remained high at all depths. Biotic variation on the shelf was best defined by variation in bottom water primary production while sediment characteristics and bottom water oxygen, temperature and nutrients defined biotic variation at greater depth. Community structure differed significantly (p<0.01) among the three water masses (shelf-flowing South Australian current, upper slope Flinders current and lower slope Antarctic Intermediate Water) (H1). Although community differences between the du Couedic and Bonney regions were marginally above significance at p = 0.05 (H2), over half of the species captured were unique to each region. This supports the evidence from fish and megafaunal distributions that the du Couedic and Bonney areas are in different bioregions. Overall, the canyon interiors were not significantly different in community composition from the exterior (H3). However, both canyons had higher abundance and/or biomass, increased species dominance, different species composition and coarser sediments near the canyon heads compared to outside the canyons at the same depth (500 m), suggestive of heightened currents within the canyons that influence community composition there. At 1000–1500 m, the canyon interiors were depauperate, typical of V-shaped canyons elsewhere. The large number of species captured, given the relatively low sampling effort and focus on the larger macrofauna, support previous studies that identify the South Australian coast as a high biodiversity area. PMID:26618354

Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roth, Justine P.

Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR) Research during the project period focused primarily on mechanisms of water oxidation by structurally defined transition metal complexes. Competitive oxygen isotope fractionation of water, mediated by oxidized precursors or reduced catalysts together with ceric, Ce(IV), ammonium nitrate in aqueous media, afforded oxygen-18 kinetic isotope effects (O-18 KIEs). Measurement, calculation, and interpretation of O-18 KIEs, described in the accompanying report has important ramifications for the production of electricity and solar hydrogen (as fuel). The catalysis division of BES has acknowledged that understanding mechanisms of transition metal catalyzed water oxidation has majormore » ramifications, potentially leading to transformation of the global economy and natural environment in years to come. Yet, because of program restructuring and decreased availability of funds, it was recommended that the Solar Photochemistry sub-division of BES would be a more appropriate parent program for support of continued research.« less

Effects of flow on insulin fibril formation at an air/water interface

NASA Astrophysics Data System (ADS)

Posada, David; Heldt, Caryn; Sorci, Mirco; Belfort, Georges; Hirsa, Amir

2009-11-01

The amyloid fibril formation process, which is implicated in several diseases such as Alzheimer's and Huntington's, is characterized by the conversion of monomers to oligomers and then to fibrils. Besides well-studied factors such as pH, temperature and concentration, the kinetics of this process are significantly influenced by the presence of solid or fluid interfaces and by flow. By studying the nucleation and growth of a model system (insulin fibrils) in a well-defined flow field with an air/water interface, we can identify the flow conditions that impact protein aggregation kinetics both in the bulk solution and at the air/water interface. The present flow system (deep-channel surface viscometer) consists of an annular region bounded by stationary inner and outer cylinders, an air/water interface, and a floor driven at constant rotation. We show the effects of Reynolds number on the kinetics of the fibrillation process both in the bulk solution and at the air/water interface, as well as on the structure of the resultant amyloid aggregates.

Anharmonicity in Amino Acids

NASA Astrophysics Data System (ADS)

Martinho, Herculano; Lima, Thamires; Ishikawa, Mariana

2012-02-01

Two special dynamical transitions of universal character have been recently observed in macromolecules (lysozyme, myoglobin, bacteriorhodopsin, DNA, and RNA) at T^*˜100 - 150 K and TD˜180 - 220 K. The underlying mechanisms governing these transitions have been subject of debate. In the present work it is reported a survey on the temperature dependence of structural, vibrational and thermodynamical properties of a nearly anhydrous amino acid (orthorhombic polymorph of the amino acids L-cysteine and L-proline at a hydration level of 3.5%). The temperature dependence of X-Ray diffraction, Raman spectroscopy, and specific heat were considered. The data were analyzed considering amino acid-amino acid, amino acid-water, and water-water phonon-phonon interactions, and molecular rotors activation. Our results indicated that the two referred temperatures define the triggering of very simple and specific events that govern all the interactions of the biomolecule: activation of CH2 rigid rotors (TTD).

Interfacial dynamics and solar fuel formation in dye-sensitized photoelectrosynthesis cells.

PubMed

Song, Wenjing; Chen, Zuofeng; Glasson, Christopher R K; Hanson, Kenneth; Luo, Hanlin; Norris, Michael R; Ashford, Dennis L; Concepcion, Javier J; Brennaman, M Kyle; Meyer, Thomas J

2012-08-27

Dye-sensitized photoelectrosynthesis cells (DSPECs) represent a promising approach to solar fuels with solar-energy storage in chemical bonds. The targets are water splitting and carbon dioxide reduction by water to CO, other oxygenates, or hydrocarbons. DSPECs are based on dye-sensitized solar cells (DSSCs) but with photoexcitation driving physically separated solar fuel half reactions. A systematic basis for DSPECs is available based on a modular approach with light absorption/excited-state electron injection, and catalyst activation assembled in integrated structures. Progress has been made on catalysts for water oxidation and CO(2) reduction, dynamics of electron injection, back electron transfer, and photostability under conditions appropriate for water splitting. With added reductive scavengers, as surrogates for water oxidation, DSPECs have been investigated for hydrogen generation based on transient absorption and photocurrent measurements. Detailed insights are emerging which define kinetic and thermodynamic requirements for the individual processes underlying DSPEC performance. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Martian Clouds Data Workshop

NASA Technical Reports Server (NTRS)

Lee, Steven (Editor)

1987-01-01

The major topics covered were a discussion of the structure of relational data base systems and features of the Britton Lee Relational Data Base Management System (RDBMS); a discussion of the workshop's objectives, approach, and research scenarios; and an overview of the Atmospheres Node User's Guide, which details the datasets stored on the Britton Lee, the structure of the query and data analysis system, and examples of the exact menu screens encountered. Also discussed were experience with the system, review of the system performance, and a strategy to produce queries and performance data retrievals of mutual interest. The goals were defined as examining correlations between cloud occurrence, water vapor abundance, and surface properties.

SPE (tm) water electrolyzers in support of mission from planet Earth

NASA Technical Reports Server (NTRS)

Mcelroy, J. F.

1991-01-01

During the 1970's, the Solid Polymer Electrolyte (SPE) water electrolyzer, which uses ion exchange membranes as its sole electrolyte, was developed for nuclear submarine metabolic oxygen production. SPE water electrolyzer developments included operation at up to 3,000 psia and at current densities in excess of 1,000 amps per square foot. The SPE water electrolyzer system has accumulated tens of thousands of system hours with the Navies of both the United States and the United Kingdom. During the 1980's, the basic SPE water electrolyzer cell structure developed for the Navies was incorporated into several demonstrators for NASA's Space Station Program. Among these were: (1) the SPE regenerative fuel cell for electrical energy storage; (2) the SPE water electrolyzer for metabolic oxygen production; and (3) the high pressure SPE water electrolyzer for reboost propellant production. In the 1990's, emphasis will be the development of SPE water electrolyzers for Mission from Planet Earth. Currently defined potential applications for the SPE water electrolyzer include: (1) SPE water electrolyzers operating at high pressure as part of a regenerative fuel cell extraterrestrial surface energy storage system; (2) SPE water electrolyzers for propellant production from extraterrestrial indigenous materials; and (3) SPE water electrolyzers for metabolic oxygen and potable water production from reclaimed water.

Cellular water distribution, transport, and its investigation methods for plant-based food material.

PubMed

Khan, Md Imran H; Karim, M A

2017-09-01

Heterogeneous and hygroscopic characteristics of plant-based food material make it complex in structure, and therefore water distribution in its different cellular environments is very complex. There are three different cellular environments, namely the intercellular environment, the intracellular environment, and the cell wall environment inside the food structure. According to the bonding strength, intracellular water is defined as loosely bound water, cell wall water is categorized as strongly bound water, and intercellular water is known as free water (FW). During food drying, optimization of the heat and mass transfer process is crucial for the energy efficiency of the process and the quality of the product. For optimizing heat and mass transfer during food processing, understanding these three types of waters (strongly bound, loosely bound, and free water) in plant-based food material is essential. However, there are few studies that investigate cellular level water distribution and transport. As there is no direct method for determining the cellular level water distributions, various indirect methods have been applied to investigate the cellular level water distribution, and there is, as yet, no consensus on the appropriate method for measuring cellular level water in plant-based food material. Therefore, the main aim of this paper is to present a comprehensive review on the available methods to investigate the cellular level water, the characteristics of water at different cellular levels and its transport mechanism during drying. The effect of bound water transport on quality of food product is also discussed. This review article presents a comparative study of different methods that can be applied to investigate cellular water such as nuclear magnetic resonance (NMR), bioelectric impedance analysis (BIA), differential scanning calorimetry (DSC), and dilatometry. The article closes with a discussion of current challenges to investigating cellular water. Copyright © 2017 Elsevier Ltd. All rights reserved.

Regional groundwater-flow model of the Redwall-Muav, Coconino, and alluvial basin aquifer systems of northern and central Arizona

USGS Publications Warehouse

Pool, D.R.; Blasch, Kyle W.; Callegary, James B.; Leake, Stanley A.; Graser, Leslie F.

2011-01-01

A numerical flow model (MODFLOW) of the groundwater flow system in the primary aquifers in northern Arizona was developed to simulate interactions between the aquifers, perennial streams, and springs for predevelopment and transient conditions during 1910 through 2005. Simulated aquifers include the Redwall-Muav, Coconino, and basin-fill aquifers. Perennial stream reaches and springs that derive base flow from the aquifers were simulated, including the Colorado River, Little Colorado River, Salt River, Verde River, and perennial reaches of tributary streams. Simulated major springs include Blue Spring, Del Rio Springs, Havasu Springs, Verde River headwater springs, several springs that discharge adjacent to major Verde River tributaries, and many springs that discharge to the Colorado River. Estimates of aquifer hydraulic properties and groundwater budgets were developed from published reports and groundwater-flow models. Spatial extents of aquifers and confining units were developed from geologic data, geophysical models, a groundwater-flow model for the Prescott Active Management Area, drill logs, geologic logs, and geophysical logs. Spatial and temporal distributions of natural recharge were developed by using a water-balance model that estimates recharge from direct infiltration. Additional natural recharge from ephemeral channel infiltration was simulated in alluvial basins. Recharge at wastewater treatment facilities and incidental recharge at agricultural fields and golf courses were also simulated. Estimates of predevelopment rates of groundwater discharge to streams, springs, and evapotranspiration by phreatophytes were derived from previous reports and on the basis of streamflow records at gages. Annual estimates of groundwater withdrawals for agriculture, municipal, industrial, and domestic uses were developed from several sources, including reported withdrawals for nonexempt wells, estimated crop requirements for agricultural wells, and estimated per capita water use for exempt wells. Accuracy of the simulated groundwater-flow system was evaluated by using observational control from water levels in wells, estimates of base flow from streamflow records, and estimates of spring discharge. Major results from the simulations include the importance of variations in recharge rates throughout the study area and recharge along ephemeral and losing stream reaches in alluvial basins. Insights about the groundwater-flow systems in individual basins include the hydrologic influence of geologic structures in some areas and that stream-aquifer interactions along the lower part of the Little Colorado River are an effective control on water level distributions throughout the Little Colorado River Plateau basin. Better information on several aspects of the groundwater flow system are needed to reduce uncertainty of the simulated system. Many areas lack documentation of the response of the groundwater system to changes in withdrawals and recharge. Data needed to define groundwater flow between vertically adjacent water-bearing units is lacking in many areas. Distributions of recharge along losing stream reaches are poorly defined. Extents of aquifers and alluvial lithologies are poorly defined in parts of the Big Chino and Verde Valley sub-basins. Aquifer storage properties are poorly defined throughout most of the study area. Little data exist to define the hydrologic importance of geologic structures such as faults and fractures. Discharge of regional groundwater flow to the Verde River is difficult to identify in the Verde Valley sub-basin because of unknown contributions from deep percolation of excess surface water irrigation.

Peptoid nanosheets exhibit a new secondary-structure motif.

PubMed

Mannige, Ranjan V; Haxton, Thomas K; Proulx, Caroline; Robertson, Ellen J; Battigelli, Alessia; Butterfoss, Glenn L; Zuckermann, Ronald N; Whitelam, Stephen

2015-10-15

A promising route to the synthesis of protein-mimetic materials that are capable of complex functions, such as molecular recognition and catalysis, is provided by sequence-defined peptoid polymers--structural relatives of biologically occurring polypeptides. Peptoids, which are relatively non-toxic and resistant to degradation, can fold into defined structures through a combination of sequence-dependent interactions. However, the range of possible structures that are accessible to peptoids and other biological mimetics is unknown, and our ability to design protein-like architectures from these polymer classes is limited. Here we use molecular-dynamics simulations, together with scattering and microscopy data, to determine the atomic-resolution structure of the recently discovered peptoid nanosheet, an ordered supramolecular assembly that extends macroscopically in only two dimensions. Our simulations show that nanosheets are structurally and dynamically heterogeneous, can be formed only from peptoids of certain lengths, and are potentially porous to water and ions. Moreover, their formation is enabled by the peptoids' adoption of a secondary structure that is not seen in the natural world. This structure, a zigzag pattern that we call a Σ('sigma')-strand, results from the ability of adjacent backbone monomers to adopt opposed rotational states, thereby allowing the backbone to remain linear and untwisted. Linear backbones tiled in a brick-like way form an extended two-dimensional nanostructure, the Σ-sheet. The binary rotational-state motif of the Σ-strand is not seen in regular protein structures, which are usually built from one type of rotational state. We also show that the concept of building regular structures from multiple rotational states can be generalized beyond the peptoid nanosheet system.

Spatial and Temporal Variations of the K/T Boundary Record: Implications Concerning Possible Megaseiche in the Reworking Processes

NASA Astrophysics Data System (ADS)

Maurrasse, F. J.; Lamolda, M. A.

2004-05-01

Major physical disruptions characterize the sedimentary record of the K/T boundary (KTB) layer from different sites in the Southern Peninsula of Haiti as well as in diverse areas of the world. These disturbances are most important within the vicinity of the crater at Chicxulub, Yucatan, Mexico, and 65 million years ago that can be chronologically correlated with the bolide impact postulated by Alvarez et al (1981). At all sites the KTB layer shows spatial and temporal differences even within short distances, and the complexity of its characteristic signals includes serious micropaleontological inconsistencies with mixed biotic assemblages that perpetuate divergence of interpretations, thereby they raise doubts on the timing and real causal mechanisms of the biotic turnover that characterizes the boundary. Indeed, often the biostratigraphic signals are difficult to resolve because of hiatuses, or sediments are highly reworked, and distinct taxonomic successions are not clearly defined. Well defined as well as cryptic primary sedimentary structures within the boundary layer are constant at all outcrops, and they indicate complex, multiphase, subaqueous flow processes that affected sedimentation of the KTB layer at different times. The structures are known to characterize oscillatory wave processes that affect cohesionless sediments, and such water motion is only known to be associated with seiche as a modern analog that may have generated the amalgamation recorded at the KTB layer. We believe that "Megaseiche" associated with the KT impact event and its subsequent effects provides a plausible unifying mechanism to explain how various levels of the water column in different large basins can oscillate to develop the structures observed. Because of the magnitude of the bolide impact that generated initial tsunamis and large seismic waves worldwide, megaseiches of different frequencies and nodal modes must have developed in the oceans worldwide to leave different signatures in the mixing pattern. Most importantly, the heterogeneity must have been further intensified in subsequent times when more localized megaseiches developed in independent basins at different times during major crustal readjustment. These phenomena may explain the heterogeneity of patterns and apparent irreconcilable discrepancies observed at KTB sites worldwide, as the structures represent a record of water movement and resuspension of sediment of different intensities and at different timesat certain locations. As observed in smaller-scale modern seiche, various oscillatory modes controlled the duration and attenuation of the water movement, the magnitude of bottom traction and resuspension that led to complex sedimentary structures and reworking patterns of the sediments and microfossils.

Unraveling protein catalysis through neutron diffraction

NASA Astrophysics Data System (ADS)

Myles, Dean

Neutron scattering and diffraction are exquisitely sensitive to the location, concentration and dynamics of hydrogen atoms in materials and provide a powerful tool for the characterization of structure-function and interfacial relationships in biological systems. Modern neutron scattering facilities offer access to a sophisticated, non-destructive suite of instruments for biophysical characterization that provide spatial and dynamic information spanning from Angstroms to microns and from picoseconds to microseconds, respectively. Applications range from atomic-resolution analysis of individual hydrogen atoms in enzymes, through to multi-scale analysis of hierarchical structures and assemblies in biological complexes, membranes and in living cells. Here we describe how the precise location of protein and water hydrogen atoms using neutron diffraction provides a more complete description of the atomic and electronic structures of proteins, enabling key questions concerning enzyme reaction mechanisms, molecular recognition and binding and protein-water interactions to be addressed. Current work is focused on understanding how molecular structure and dynamics control function in photosynthetic, cell signaling and DNA repair proteins. We will highlight recent studies that provide detailed understanding of the physiochemical mechanisms through which proteins recognize ligands and catalyze reactions, and help to define and understand the key principles involved.

Aqueous solution dispersement of carbon nanotubes

NASA Technical Reports Server (NTRS)

Kim, Jae-Woo (Inventor); Park, Cheol (Inventor); Choi, Sang H. (Inventor); Lillehei, Peter T. (Inventor); Harrison, Joycelyn S. (Inventor)

2011-01-01

Carbon nanotubes (CNTs) are dispersed in an aqueous buffer solution consisting of at least 50 weight percent water and a remainder weight percent that includes a buffer material. The buffer material has a molecular structure defined by a first end, a second end, and a middle disposed between the first and second ends. The first end is a cyclic ring with nitrogen and oxygen heteroatomes, the middle is a hydrophobic alkyl chain, and the second end is a charged group.

Water-Level Data for the Albuquerque Basin and Adjacent Areas, Central New Mexico, Period of Record Through 2004

USGS Publications Warehouse

DeWees, R.K.

2006-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25 to 40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompass the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the Albuquerque Basin are obtained solely from ground-water resources. An increase of approximately 20 percent in the population from 1991 to present also resulted in an increased demand for water. From April 1982 through September 1983, a network of wells was established to monitor changes in ground-water levels throughout the Albuquerque Basin. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly. Currently (2004), the network consists of 234 wells and piezometers. This report presents water-level data collected by U.S. Geological Survey personnel at 155 sites through 2004. Water-level and other data for 71 sites are collected by other agencies. Water-level data for 8 sites of the 155 sites measured by the U.S. Geological Survey were not available for this report.

Bifurcation structure of a wind-driven shallow water model with layer-outcropping

NASA Astrophysics Data System (ADS)

Primeau, François W.; Newman, David

The steady state bifurcation structure of the double-gyre wind-driven ocean circulation is examined in a shallow water model where the upper layer is allowed to outcrop at the sea surface. In addition to the classical jet-up and jet-down multiple equilibria, we find a new regime in which one of the equilibrium solutions has a large outcropping region in the subpolar gyre. Time dependent simulations show that the outcropping solution equilibrates to a stable periodic orbit with a period of 8 months. Co-existing with the periodic solution is a stable steady state solution without outcropping. A numerical scheme that has the unique advantage of being differentiable while still allowing layers to outcrop at the sea surface is used for the analysis. In contrast, standard schemes for solving layered models with outcropping are non-differentiable and have an ill-defined Jacobian making them unsuitable for solution using Newton's method. As such, our new scheme expands the applicability of numerical bifurcation techniques to an important class of ocean models whose bifurcation structure had hitherto remained unexplored.

Using a bias aware EnKF to account for unresolved structure in an unsaturated zone model

NASA Astrophysics Data System (ADS)

Erdal, D.; Neuweiler, I.; Wollschläger, U.

2014-01-01

When predicting flow in the unsaturated zone, any method for modeling the flow will have to define how, and to what level, the subsurface structure is resolved. In this paper, we use the Ensemble Kalman Filter to assimilate local soil water content observations from both a synthetic layered lysimeter and a real field experiment in layered soil in an unsaturated water flow model. We investigate the use of colored noise bias corrections to account for unresolved subsurface layering in a homogeneous model and compare this approach with a fully resolved model. In both models, we use a simplified model parameterization in the Ensemble Kalman Filter. The results show that the use of bias corrections can increase the predictive capability of a simplified homogeneous flow model if the bias corrections are applied to the model states. If correct knowledge of the layering structure is available, the fully resolved model performs best. However, if no, or erroneous, layering is used in the model, the use of a homogeneous model with bias corrections can be the better choice for modeling the behavior of the system.

Structural mechanism of enoyl-CoA hydratase: three atoms from a single water are added in either an E1cb stepwise or concerted fashion.

PubMed

Bahnson, Brian J; Anderson, Vernon E; Petsko, Gregory A

2002-02-26

We have determined the crystal structure of the enzyme enoyl-CoA hydratase (ECH) from rat liver with the bound substrate 4-(N,N-dimethylamino)cinnamoyl-CoA using X-ray diffraction data to a resolution of 2.3 A. In addition to the thiolester substrate, the catalytic water, which is added in the hydration reaction, has been modeled into well-defined electron density in each of the six active sites of the physiological hexamer within the crystallographic asymmetric unit. The catalytic water bridges Glu(144) and Glu(164) of the enzyme and has a lone pair of electrons poised to react with C(3) of the enzyme-bound alpha,beta-unsaturated thiolester. The water molecule, which bridges two glutamate residues, is reminiscent of the enolase active site. However, unlike enolase, which has a lysine available to donate a proton, there are no other sources of protons available from other active site residues in ECH. Furthermore, an analysis of the hydrogen-bonding network of the active site suggests that both Glu(144) and Glu(164) are ionized and carry a negative charge with no reasonable place to have a protonated carboxylate. This lack of hydrogen-bonding acceptors that could accommodate a source of a proton, other than from the water molecule, leads to a hypothesis that the three atoms from a single water molecule are added across the double bond to form the hydrated product. The structural results are discussed in connection with details of the mechanism, which have been elucidated from kinetics, site-directed mutagenesis, and spectroscopy of enzyme-substrate species, in presenting an atomic-resolution mechanism of the reaction. Contrary to the previous interpretation, the structure of the E-S complex together with previously determined kinetic isotope effects is consistent with either a concerted mechanism or an E1cb stepwise mechanism.

Monocrystalline platinum-nickel branched nanocages with enhanced catalytic performance towards the hydrogen evolution reaction.

PubMed

Cao, Zhenming; Li, Huiqi; Zhan, Chenyang; Zhang, Jiawei; Wang, Wei; Xu, Binbin; Lu, Fa; Jiang, Yaqi; Xie, Zhaoxiong; Zheng, Lansun

2018-03-15

Single crystalline noble metal nanocages are the most promising candidates for heterogeneous catalysis due to their large specific surface area, well-defined structure and enhanced structural stability. Herein, based on the observation of an unexpected phenomenon that the alloying of Pt and transition metals by co-reduction is more preferential than the formation of pure Pt NCs, we propose a feasible one-pot strategy to synthesize a uniformly epitaxial core-shell Pt-Ni structure with a Ni-rich alloy as the core and a Pt-rich alloy as the shell. The as-prepared Pt-Ni core-shell structures are subsequently etched into monocrystalline Pt-Ni branched nanocages with the wall thickness being 2.8 nm. This unique structure exhibits excellent catalytic performance and stability for the hydrogen evolution reaction (HER) in alkaline solution which is of great significance for the energy-intensive water-alkali and chlor-alkali industry.

An empirical assessment of which inland floods can be managed

USGS Publications Warehouse

Mogollón, Beatriz; Frimpong, Emmanuel A.; Hoegh, Andrew B.; Angermeier, Paul

2016-01-01

Riverine flooding is a significant global issue. Although it is well documented that the influence of landscape structure on floods decreases as flood size increases, studies that define a threshold flood-return period, above which landscape features such as topography, land cover and impoundments can curtail floods, are lacking. Further, the relative influences of natural versus built features on floods is poorly understood. Assumptions about the types of floods that can be managed have considerable implications for the cost-effectiveness of decisions to invest in transforming land cover (e.g., reforestation) and in constructing structures (e.g., storm-water ponds) to control floods. This study defines parameters of floods for which changes in landscape structure can have an impact. We compare nine flood-return periods across 31 watersheds with widely varying topography and land cover in the southeastern United States, using long-term hydrologic records (≥20 years). We also assess the effects of built flow-regulating features (best management practices and artificial water bodies) on selected flood metrics across urban watersheds. We show that landscape features affect magnitude and duration of only those floods with return periods ≤10 years, which suggests that larger floods cannot be managed effectively by manipulating landscape structure. Overall, urban watersheds exhibited larger (270 m3/s) but quicker (0.41 days) floods than non-urban watersheds (50 m3/s and 1.5 days). However, urban watersheds with more flow-regulating features had lower flood magnitudes (154 m3/s), but similar flood durations (0.55 days), compared to urban watersheds with fewer flow-regulating features (360 m3/s and 0.23 days). Our analysis provides insight into the magnitude, duration and count of floods that can be curtailed by landscape structure and its management. Our findings are relevant to other areas with similar climate, topography, and land use, and can help ensure that investments in flood management are made wisely after considering the limitations of landscape features to regulate floods.

Site-directed mutagenesis of mouse glutathione transferase P1-1 unlocks masked cooperativity, introduces a novel mechanism for 'ping pong' kinetic behaviour, and provides further structural evidence for participation of a water molecule in proton abstraction from glutathione.

PubMed

McManus, Gavin; Costa, Marta; Canals, Albert; Coll, Miquel; Mantle, Timothy J

2011-01-01

Mouse liver glutathione transferase P1-1 has three cysteine residues at positions 14, 47 and 169. We have constructed the single, double and triple cysteine to alanine mutants to define the behaviour of all three thiols. We confirm that C47 is the 'fast' thiol (pK 7.4), and define C169 as the alkaline reactive residue with a pK(a) of 8.6. Only a small proportion of C14 is reactive with 5,5'-dithiobis-(2-nitrobenoic acid) (DTNB) at pH 9 in the C47A/C169A double mutant. The native enzyme and the C169A mutant exhibited Michaelis-Menten kinetics, but all other thiol to alanine mutants exhibited sigmoidal kinetics to varying degrees. The C169A mutant exhibited 'ping pong' kinetics, consistent with a mechanism whereby liberation of a proton from a reduced enzyme-glutathione (GSH) complex to form an enzyme-GS(-) (unprotonated) complex is essentially irreversible. Intriguingly, similar behaviour has recently been reported for a mutant of the yeast prion Ure2p. This cooperative behaviour is 'mirrored' in the crystal structure of the C47A mutant, which binds the p-nitrobenzyl moiety of p-nitrobenzyglutathione in distinct orientations in the two crystallographic subunits. The asymmetry seen in this structure for product binding is associated with absence of a water molecule W0 in the standard wild-type conformation of product binding that is clearly identifiable in the new structure, which may represent a structural model for binding of incoming GSH prior to displacement of W0. Elimination of W0 as a hydroxonium ion may be the mechanism for the initial proton extrusion from the active site. © 2010 The Authors Journal compilation © 2010 FEBS.

The spatial range of protein hydration

NASA Astrophysics Data System (ADS)

Persson, Filip; Söderhjelm, Pär; Halle, Bertil

2018-06-01

Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the solvent. The extent of this perturbation has been investigated by numerous methods in the past half-century, but a consensus has still not emerged regarding the spatial range of the perturbation. To a large extent, the disparate views found in the current literature can be traced to the lack of a rigorous definition of the perturbation range. Stating that a particular solvent property differs from its bulk value at a certain distance from the protein is not particularly helpful since such findings depend on the sensitivity and precision of the technique used to probe the system. What is needed is a well-defined decay length, an intrinsic property of the protein in a dilute aqueous solution, that specifies the length scale on which a given physical property approaches its bulk-water value. Based on molecular dynamics simulations of four small globular proteins, we present such an analysis of the structural and dynamic properties of the hydrogen-bonded solvent network. The results demonstrate unequivocally that the solvent perturbation is short-ranged, with all investigated properties having exponential decay lengths of less than one hydration shell. The short range of the perturbation is a consequence of the high energy density of bulk water, rendering this solvent highly resistant to structural perturbations. The electric field from the protein, which under certain conditions can be long-ranged, induces a weak alignment of water dipoles, which, however, is merely the linear dielectric response of bulk water and, therefore, should not be thought of as a structural perturbation. By decomposing the first hydration shell into polarity-based subsets, we find that the hydration structure of the nonpolar parts of the protein surface is similar to that of small nonpolar solutes. For all four examined proteins, the mean number of water-water hydrogen bonds in the nonpolar subset is within 1% of the value in bulk water, suggesting that the fragmentation and topography of the nonpolar protein-water interface has evolved to minimize the propensity for protein aggregation by reducing the unfavorable free energy of hydrophobic hydration.

Computational design of water-soluble α-helical barrels.

PubMed

Thomson, Andrew R; Wood, Christopher W; Burton, Antony J; Bartlett, Gail J; Sessions, Richard B; Brady, R Leo; Woolfson, Derek N

2014-10-24

The design of protein sequences that fold into prescribed de novo structures is challenging. General solutions to this problem require geometric descriptions of protein folds and methods to fit sequences to these. The α-helical coiled coils present a promising class of protein for this and offer considerable scope for exploring hitherto unseen structures. For α-helical barrels, which have more than four helices and accessible central channels, many of the possible structures remain unobserved. Here, we combine geometrical considerations, knowledge-based scoring, and atomistic modeling to facilitate the design of new channel-containing α-helical barrels. X-ray crystal structures of the resulting designs match predicted in silico models. Furthermore, the observed channels are chemically defined and have diameters related to oligomer state, which present routes to design protein function. Copyright © 2014, American Association for the Advancement of Science.

Hydrologic connectivity: Quantitative assessments of hydrologic-enforced drainage structures in an elevation model

USGS Publications Warehouse

Poppenga, Sandra K.; Worstell, Bruce B.

2016-01-01

Elevation data derived from light detection and ranging present challenges for hydrologic modeling as the elevation surface includes bridge decks and elevated road features overlaying culvert drainage structures. In reality, water is carried through these structures; however, in the elevation surface these features impede modeled overland surface flow. Thus, a hydrologically-enforced elevation surface is needed for hydrodynamic modeling. In the Delaware River Basin, hydrologic-enforcement techniques were used to modify elevations to simulate how constructed drainage structures allow overland surface flow. By calculating residuals between unfilled and filled elevation surfaces, artificially pooled depressions that formed upstream of constructed drainage structure features were defined, and elevation values were adjusted by generating transects at the location of the drainage structures. An assessment of each hydrologically-enforced drainage structure was conducted using field-surveyed culvert and bridge coordinates obtained from numerous public agencies, but it was discovered the disparate drainage structure datasets were not comprehensive enough to assess all remotely located depressions in need of hydrologic-enforcement. Alternatively, orthoimagery was interpreted to define drainage structures near each depression, and these locations were used as reference points for a quantitative hydrologic-enforcement assessment. The orthoimagery-interpreted reference points resulted in a larger corresponding sample size than the assessment between hydrologic-enforced transects and field-surveyed data. This assessment demonstrates the viability of rules-based hydrologic-enforcement that is needed to achieve hydrologic connectivity, which is valuable for hydrodynamic models in sensitive coastal regions. Hydrologic-enforced elevation data are also essential for merging with topographic/bathymetric elevation data that extend over vulnerable urbanized areas and dynamic coastal regions.

The Laniakea supercluster of galaxies.

PubMed

Tully, R Brent; Courtois, Hélène; Hoffman, Yehuda; Pomarède, Daniel

2014-09-04

Galaxies congregate in clusters and along filaments, and are missing from large regions referred to as voids. These structures are seen in maps derived from spectroscopic surveys that reveal networks of structure that are interconnected with no clear boundaries. Extended regions with a high concentration of galaxies are called 'superclusters', although this term is not precise. There is, however, another way to analyse the structure. If the distance to each galaxy from Earth is directly measured, then the peculiar velocity can be derived from the subtraction of the mean cosmic expansion, the product of distance times the Hubble constant, from observed velocity. The peculiar velocity is the line-of-sight departure from the cosmic expansion and arises from gravitational perturbations; a map of peculiar velocities can be translated into a map of the distribution of matter. Here we report a map of structure made using a catalogue of peculiar velocities. We find locations where peculiar velocity flows diverge, as water does at watershed divides, and we trace the surface of divergent points that surrounds us. Within the volume enclosed by this surface, the motions of galaxies are inward after removal of the mean cosmic expansion and long range flows. We define a supercluster to be the volume within such a surface, and so we are defining the extent of our home supercluster, which we call Laniakea.

X-ray crystallographic analysis of adipocyte fatty acid binding protein (aP2) modified with 4-hydroxy-2-nonenal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hellberg, Kristina; Grimsrud, Paul A.; Kruse, Andrew C.

2012-07-11

Fatty acid binding proteins (FABP) have been characterized as facilitating the intracellular solubilization and transport of long-chain fatty acyl carboxylates via noncovalent interactions. More recent work has shown that the adipocyte FABP is also covalently modified in vivo on Cys117 with 4-hydroxy-2-nonenal (4-HNE), a bioactive aldehyde linked to oxidative stress and inflammation. To evaluate 4-HNE binding and modification, the crystal structures of adipocyte FABP covalently and noncovalently bound to 4-HNE have been solved to 1.9 {angstrom} and 2.3 {angstrom} resolution, respectively. While the 4-HNE in the noncovalently modified protein is coordinated similarly to a carboxylate of a fatty acid, themore » covalent form show a novel coordination through a water molecule at the polar end of the lipid. Other defining features between the two structures with 4-HNE and previously solved structures of the protein include a peptide flip between residues Ala36 and Lys37 and the rotation of the side chain of Phe57 into its closed conformation. Representing the first structure of an endogenous target protein covalently modified by 4-HNE, these results define a new class of in vivo ligands for FABPs and extend their physiological substrates to include bioactive aldehydes.« less

Characterization of the Cretaceous aquifer structure of the Meskala region of the Essaouira Basin, Morocco

USGS Publications Warehouse

Hanich, L.; Zouhri, L.; Dinger, J.

2011-01-01

The aquifer of early Cretaceous age in the Meskala region of the Essaouira Basin is defined by interpretation of geological drilling data of oil and hydrogeological wells, field measurement and analysis of in situ fracture orientations, and the application of a morphostructural method to identify lineaments. These analyzes are used to develop a stratigraphic-structural model of the aquifer delimited by fault zones of two principal orientations: NNE and WNW. These fault zones define fault blocks that range in area from 4 to 150km2. These blocks correspond either to elevated zones (horsts) or depressed zones (grabens). This structural setting with faults blocks of Meskala region is in accordance with the structure of the whole Essaouira Basin. Fault zones disrupt the continuity of the aquifer throughout the study area, create recharge and discharge zones, and create dip to the units from approximately 10?? to near vertical in various orientations. Fracture measurements and morphometric-lineament analyzes help to identify unmapped faults, and represent features important to groundwater hydraulics and water quality within fault blocks. The above geologic features will enable a better understanding of the behaviour and hydro-geo-chemical and hydrodynamics of groundwater in the Meskala aquifer. ?? 2010 Elsevier Ltd.

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

EPA Science Inventory

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

Supersonic coal water slurry fuel atomizer

DOEpatents

Becker, Frederick E.; Smolensky, Leo A.; Balsavich, John

1991-01-01

A supersonic coal water slurry atomizer utilizing supersonic gas velocities to atomize coal water slurry is provided wherein atomization occurs externally of the atomizer. The atomizer has a central tube defining a coal water slurry passageway surrounded by an annular sleeve defining an annular passageway for gas. A converging/diverging section is provided for accelerating gas in the annular passageway to supersonic velocities.

Freezing, melting and structure of ice in a hydrophilic nanopore.

PubMed

Moore, Emily B; de la Llave, Ezequiel; Welke, Kai; Scherlis, Damian A; Molinero, Valeria

2010-04-28

The nucleation, growth, structure and melting of ice in 3 nm diameter hydrophilic nanopores are studied through molecular dynamics simulations with the mW water model. The melting temperature of water in the pore was T(m)(pore) = 223 K, 51 K lower than the melting point of bulk water in the model and in excellent agreement with experimental determinations for 3 nm silica pores. Liquid and ice coexist in equilibrium at the melting point and down to temperatures as low as 180 K. Liquid water is located at the interface of the pore wall, increasing from one monolayer at the freezing temperature, T(f)(pore) = 195 K, to two monolayers a few degrees below T(m)(pore). Crystallization of ice in the pore occurs through homogeneous nucleation. At the freezing temperature, the critical nucleus contains approximately 75 to 100 molecules, with a radius of gyration similar to the radius of the pore. The critical nuclei contain features of both cubic and hexagonal ice, although stacking of hexagonal and cubic layers is not defined until the nuclei reach approximately 150 molecules. The structure of the confined ice is rich in stacking faults, in agreement with the interpretation of X-ray and neutron diffraction experiments. Though the presence of cubic layers is twice as prevalent as hexagonal ones, the crystals should not be considered defective Ic as sequences with more than three adjacent cubic (or hexagonal) layers are extremely rare in the confined ice.

Modeling of Water Flow Processes in the Soil-Plant-Atmosphere System: The Soil-Tree-Atmosphere Continuum Model

NASA Astrophysics Data System (ADS)

Massoud, E. C.; Vrugt, J. A.

2015-12-01

Trees and forests play a key role in controlling the water and energy balance at the land-air surface. This study reports on the calibration of an integrated soil-tree-atmosphere continuum (STAC) model using Bayesian inference with the DREAM algorithm and temporal observations of soil moisture content, matric head, sap flux, and leaf water potential from the King's River Experimental Watershed (KREW) in the southern Sierra Nevada mountain range in California. Water flow through the coupled system is described using the Richards' equation with both the soil and tree modeled as a porous medium with nonlinear soil and tree water relationships. Most of the model parameters appear to be reasonably well defined by calibration against the observed data. The posterior mean simulation reproduces the observed soil and tree data quite accurately, but a systematic mismatch is observed between early afternoon measured and simulated sap fluxes. We will show how this points to a structural error in the STAC-model and suggest and test an alternative hypothesis for root water uptake that alleviates this problem.

Geothermal potential on Kirtland Air Force Base lands, Bernalillo County, New Mexico

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grant, P.R. Jr.

Extensive sampling and geochemical analysis of groundwater in and near the base disclosed no significant geothermal parameters. However, structural conditions and current hydrologic regimes strongly suggest that thermal waters would be masked by near surface, low temperature meteoric water originating as rain and snowfall in the nearby mountains. Controlled source audio-magnetotelluric (CSAMT) electromagnetic techniques, refraction seismic experiments, and gravity traverses were utilized on the base. These, together with published geohysical information that presents evidence for a shallow magma body beneath the Albuquerque Basin; favorable terrestrial heat flow, water chemistry, and shallow temperature gradient holes on the nearby mesa west ofmore » the Rio Grande; interpretation of regional gravity data; and geological data from nearby deep wells tend to confirm structural, stratigraphic, and hydrologic conditions favorable for developing an extensive intermediate to high-temperature hydrothermal regime on portions of Kirtland AFB lands where intensive land use occurs. Two possible exploration and development scenarios are presented. One involves drilling a well to a depth of 3000 to 5000 ft (914 to 1524 m) to test the possibility of encountering higher than normal water temperatures on the basinward side of the faults underlying the travertine deposits. The other is to conduct limited reflection seismograph surveys in defined areas on the base to determine the depth to basement (granite) and thickness of the overyling, unconfined, water filled, relatively unconsolidated sand and gravel aquifer.« less

The diffusive boundary layer of sediments: oxygen microgradients over a microbial mat

NASA Technical Reports Server (NTRS)

Jorgensen, B. B.; Des Marais, D. J.

1990-01-01

Oxygen microelectrodes were used to analyze the distribution of the diffusive boundary layer (DBL) at the sediment-water interface in relation to surface topography and flow velocity. The sediment, collected from saline ponds, was covered by a microbial mat that had high oxygen consumption rate and well-defined surface structure. Diffusion through the DBL constituted an important rate limitation to the oxygen uptake of the sediment. The mean effective DBL thickness decreased from 0.59 to 0.16 mm as the flow velocity of the overlying water was increased from 0.3 to 7.7 cm s-1 (measured 1 cm above the mat). The oxygen uptake rate concurrently increased from 3.9 to 9.4 nmol cm-2 min-1. The effects of surface roughness and topography on the thickness and distribution of the DBL were studied by three-dimensional mapping of the sediment-water interface and the upper DBL boundary at 0.1-mm spatial resolution. The DBL boundary followed mat structures that had characteristic dimensions > 1/2 DBL thickness but the DBL had a dampened relief relative to the mat. The effective surface area of the sediment-water interface and of the upper DBL boundary were 31 and 14% larger, respectively, than a flat plane. Surface topography thereby increased the oxygen flux across the sediment-water interface by 49% relative to a one-dimensional diffusion flux calculated from the vertical oxygen microgradients.

The principle of ‘maximum energy dissipation’: a novel thermodynamic perspective on rapid water flow in connected soil structures

PubMed Central

Zehe, Erwin; Blume, Theresa; Blöschl, Günter

2010-01-01

Preferential flow in biological soil structures is of key importance for infiltration and soil water flow at a range of scales. In the present study, we treat soil water flow as a dissipative process in an open non-equilibrium thermodynamic system, to better understand this key process. We define the chemical potential and Helmholtz free energy based on soil physical quantities, parametrize a physically based hydrological model based on field data and simulate the evolution of Helmholtz free energy in a cohesive soil with different populations of worm burrows for a range of rainfall scenarios. The simulations suggest that flow in connected worm burrows allows a more efficient redistribution of water within the soil, which implies a more efficient dissipation of free energy/higher production of entropy. There is additional evidence that the spatial pattern of worm burrow density at the hillslope scale is a major control of energy dissipation. The pattern typically found in the study is more efficient in dissipating energy/producing entropy than other patterns. This is because upslope run-off accumulates and infiltrates via the worm burrows into the dry soil in the lower part of the hillslope, which results in an overall more efficient dissipation of free energy. PMID:20368256

Quantitative descriptions of rice plant architecture and their application

PubMed Central

Li, Xumeng; Wang, Xiaohui; Peng, Yulin; Wei, Hailin; Zhu, Xinguang; Chang, Shuoqi; Li, Ming; Li, Tao; Huang, Huang

2017-01-01

Plant architecture is an important agronomic trait, and improving plant architecture has attracted the attention of scientists for decades, particularly studies to create desirable plant architecture for high grain yields through breeding and culture practices. However, many important structural phenotypic traits still lack quantitative description and modeling on structural-functional relativity. This study defined new architecture indices (AIs) derived from the digitalized plant architecture using the virtual blade method. The influences of varieties and crop management on these indices and the influences of these indices on biomass accumulation were analyzed using field experiment data at two crop growth stages: early and late panicle initiation. The results indicated that the vertical architecture indices (LAI, PH, 90%-DRI, MDI, 90%-LI) were significantly influenced by variety, water, nitrogen management and the interaction of water and nitrogen, and compact architecture indices (H-CI, Q-CI, 90%-LI, 50%-LI) were significantly influenced by nitrogen management and the interaction of variety and water. Furthermore, there were certain trends in the influence of variety, water, and nitrogen management on AIs. Biomass accumulation has a positive linear correlation with vertical architecture indices and has a quadratic correlation with compact architecture indices, respectively. Furthermore, the combination of vertical and compact architecture indices is the indicator for evaluating the effects of plant architecture on biomass accumulation. PMID:28545144

Quantitative descriptions of rice plant architecture and their application.

PubMed

Li, Xumeng; Wang, Xiaohui; Peng, Yulin; Wei, Hailin; Zhu, Xinguang; Chang, Shuoqi; Li, Ming; Li, Tao; Huang, Huang

2017-01-01

Plant architecture is an important agronomic trait, and improving plant architecture has attracted the attention of scientists for decades, particularly studies to create desirable plant architecture for high grain yields through breeding and culture practices. However, many important structural phenotypic traits still lack quantitative description and modeling on structural-functional relativity. This study defined new architecture indices (AIs) derived from the digitalized plant architecture using the virtual blade method. The influences of varieties and crop management on these indices and the influences of these indices on biomass accumulation were analyzed using field experiment data at two crop growth stages: early and late panicle initiation. The results indicated that the vertical architecture indices (LAI, PH, 90%-DRI, MDI, 90%-LI) were significantly influenced by variety, water, nitrogen management and the interaction of water and nitrogen, and compact architecture indices (H-CI, Q-CI, 90%-LI, 50%-LI) were significantly influenced by nitrogen management and the interaction of variety and water. Furthermore, there were certain trends in the influence of variety, water, and nitrogen management on AIs. Biomass accumulation has a positive linear correlation with vertical architecture indices and has a quadratic correlation with compact architecture indices, respectively. Furthermore, the combination of vertical and compact architecture indices is the indicator for evaluating the effects of plant architecture on biomass accumulation.

Thermodynamic and kinetic considerations of nucleation and stabilization of acoustic cavitation bubbles in water.

PubMed

Bapat, Pratap S; Pandit, Aniruddha B

2008-01-01

Qualitative explanation for a homogeneous nucleation of acoustic cavitation bubbles in the incompressible liquid water with simple phenomenological approach has been provided via the concept of the desorbtion of the dissolved gas and the vaporization of local liquid molecules. The liquid medium has been viewed as an ensemble of lattice structures. Validity of the lattice structure approach against the Brownian motion of molecules in the liquid state has been discussed. Criterion based on probability for nucleus formation has been defined for the vaporization of local liquid molecules. Energy need for the enthalpy of vaporization has been considered as an energy criterion for the formation of a vaporous nucleus. Sound energy, thermal energy of the liquid bulk (Joule-Thomson effect) and free energy of activation, which is associated with water molecules in the liquid state (Brownian motion) as per the modified Eyring's kinetic theory of liquid are considered as possible sources for the enthalpy of vaporization of water molecules forming a single unit lattice. The classical nucleation theory has then been considered for expressing further growth of the vaporous nucleus against the surface energy barrier. Effect of liquid property (temperature), and effect of an acoustic parameter (frequency) on an acoustic cavitation threshold pressure have been discussed. Kinetics of nucleation has been considered.

Water-Level Data for the Albuquerque Basin and Adjacent Areas, Central New Mexico, Period of Record Through September 30, 2008

USGS Publications Warehouse

Beman, Joseph E.

2009-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25 to 40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompass the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin are currently (2008) obtained soley from ground-water resources. An increase of about 20 percent in the population from 1990 to 2000 also resulted in an increased demand for water. A network of wells was established to monitor changes in ground-water levels throughout the basin from April 1982 through September 1983. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly in 1983. Currently (2008), the network consists of 144 wells and piezometers. This report presents water-level data collected by U.S. Geological Survey personnel at 125 sites through water-year 2008. In addition, data from 19 wells (Sites 127-30, 132-134, 136, 138-142 and 144-149) owned, maintained, and measured by Sandia National Laboratories are presented in this report.

Fat Analysis

NASA Astrophysics Data System (ADS)

Min, David B.; Ellefson, Wayne C.

Lipids, proteins, and carbohydrates constitute the principal structural components of foods. Lipids are a group of substances that, in general, are soluble in ether, chloroform, or other organic solvents but are sparingly soluble in water. However, there exists no clear scientific definition of a lipid, primarily due to the water solubility of certain molecules that fall within one of the variable categories of food lipids (1). Some lipids, such as triacylglycerols, are very hydrophobic. Other lipids, such as di- and monoacylglycerols, have both hydrophobic and hydrophilic moieties in their molecules and are soluble in relatively polar solvents (2). Short-chain fatty acids such as C1-C4 are completely miscible in water and insoluble in nonpolar solvents (1). The most widely accepted definition is based on solubility as previously stated. While most macromolecules are characterized by common structural features, the designation of "lipid" being defined by solubility characteristics is unique to lipids (2). Lipids comprise a broad group of substances that have some common properties and compositional similarities (3). Triacylglycerols are fats and oils that represent the most prevalent category of the group of compounds known as lipids. The terms lipids, fats, and oils are often used interchangeably. The term "lipid" commonly refers to the broad, total collection of food molecules that meet the definition previously stated. Fats generally refer to those lipids that are solid at room temperature and oils generally refer to those lipids that are liquid at room temperature. While there may not be an exact scientific definition, the US Food and Drug Administration (FDA) has established a regulatory definition for nutrition labeling purposes. The FDA has defined total fat as the sum of fatty acids from C4 to C24, calculated as triglycerides. This definition provides a clear path for resolution of any nutrition labeling disputes.

Crystal structures of ZnCl2·2.5H2O, ZnCl2·3H2O and ZnCl2·4.5H2O

PubMed Central

Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang

2014-01-01

The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl− and H2O around Zn2+. According to the solid–liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn2+ both in a tetra­hedral coordination with Cl− and in an octa­hedral environment defined by five water mol­ecules and one Cl− shared with the [ZnCl4]2− unit. Thus, these two different types of Zn2+ cations form isolated units with composition [Zn2Cl4(H2O)5] (penta­aqua-μ-chlorido-tri­chlorido­di­zinc). The trihydrate {hexa­aqua­zinc tetra­chlorido­zinc, [Zn(H2O)6][ZnCl4]}, consists of three different Zn2+ cations, one of which is tetra­hedrally coordinated by four Cl− anions. The two other Zn2+ cations are each located on an inversion centre and are octa­hedrally surrounded by water mol­ecules. The [ZnCl4] tetra­hedra and [Zn(H2O)6] octa­hedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexa­aqua­zinc tetra­chlorido­zinc trihydrate, [Zn(H2O)6][ZnCl4]·3H2O}, consists of isolated octa­hedral [Zn(H2O)6] and tetra­hedral [ZnCl4] units, as well as additional lattice water mol­ecules. O—H⋯O hydrogen bonds between the water mol­ecules as donor and ZnCl4 tetra­hedra and water mol­ecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures. PMID:25552980

Heterogeneous distribution of water in the mantle transition zone beneath United States inferred from seismic observations

NASA Astrophysics Data System (ADS)

Wang, Y.; Pavlis, G. L.; Li, M.

2017-12-01

The amount of water in the Earth's deep mantle is critical for the evolution of the solid Earth and the atmosphere. Mineral physics studies have revealed that Wadsleyite and Ringwoodite in the mantle transition zone could store several times the volume of water in the ocean. However, the water content and its distribution in the transition zone remain enigmatic due to lack of direct observations. Here we use seismic data from the full deployment of the Earthscope Transportable Array to produce 3D image of P to S scattering of the mantle transition zone beneath the United States. We compute the image volume from 141,080 pairs of high quality receiver functions defined by the Earthscope Automated Receiver Survey, reprocessed by the generalized iterative deconvolution method and imaged by the plane wave migration method. We find that the transition zone is filled with previously unrecognized small-scale heterogeneities that produce pervasive, negative polarity P to S conversions. Seismic synthetic modeling using a point source simulation method suggests two possible structures for these objects: 1) a set of randomly distributed blobs of slight difference in size, and 2) near vertical diapir structures from small scale convections. Combining with geodynamic simulations, we interpret the observation as compositional heterogeneity from small-scale, low-velocity bodies that are water enriched. Our results indicate there is a heterogeneous distribution of water through the entire mantle transition zone beneath the contiguous United States.

Historical transition of eco-structure in a tidal flat caused by expansion of sewerage treatment area.

PubMed

Tatsumoto, Hideki; Ishii, Yuichi; Machida, Motoi; Taki, Kazuo

2004-05-11

An artificial tidal flat was prepared for the mitigation tool on coastal environment. However, it is considered that most of the flat was not restored to the sufficient amenities for aquatic living things, migratory birds, etc. because none of the ecological mechanisms were understood or planned for. It is therefore investigated in this paper that historical transition factors in ecosystem structure are selected and traced with the diffusion of a public sewerage system, and with environmental factors such as water quality, sediment condition, and aquatic producers in the Yatsu Tidal Flat. As a result, it can be defined that the tidal flat, just like a lagoon, was formed artificially with reclamation and development of its circumference at the first step of transition; the water quality and sediment condition gradually became brackish water and muddy sediment conditions, interactively. The ecosystem pyramid forming orderly layers according to trophic level appeared as a high-bio-production potential in its tidal flat. In the second step, i.e., in recent years, the characteristics of water quality and sediment conditions evolved into a foreshore tidal flat, namely, conditions in the flat observed were that the progression of water included a high concentration of chloride ion as seawater and sediment conditions became sandy. Because of that, the inflowing fresh water and organic mater from the land area decreased with the improvement of the public sewerage system. The ecosystem pyramid was distorted into a chaos pyramid, with inversion of Ulva spp.

Landscape structure and climate influences on hydrologic response

NASA Astrophysics Data System (ADS)

Nippgen, Fabian; McGlynn, Brian L.; Marshall, Lucy A.; Emanuel, Ryan E.

2011-12-01

Climate variability and catchment structure (topography, geology, vegetation) have a significant influence on the timing and quantity of water discharged from mountainous catchments. How these factors combine to influence runoff dynamics is poorly understood. In this study we linked differences in hydrologic response across catchments and across years to metrics of landscape structure and climate using a simple transfer function rainfall-runoff modeling approach. A transfer function represents the internal catchment properties that convert a measured input (rainfall/snowmelt) into an output (streamflow). We examined modeled mean response time, defined as the average time that it takes for a water input to leave the catchment outlet from the moment it reaches the ground surface. We combined 12 years of precipitation and streamflow data from seven catchments in the Tenderfoot Creek Experimental Forest (Little Belt Mountains, southwestern Montana) with landscape analyses to quantify the first-order controls on mean response times. Differences between responses across the seven catchments were related to the spatial variability in catchment structure (e.g., slope, flowpath lengths, tree height). Annual variability was largely a function of maximum snow water equivalent. Catchment averaged runoff ratios exhibited strong correlations with mean response time while annually averaged runoff ratios were not related to climatic metrics. These results suggest that runoff ratios in snowmelt dominated systems are mainly controlled by topography and not by climatic variability. This approach provides a simple tool for assessing differences in hydrologic response across diverse watersheds and climate conditions.

The Evolution of Sulfide in Shallow Aquatic Ecosystem Sediments: An Analysis of the Roles of Sulfate, Organic Carbon, and Iron and Feedback Constraints Using Structural Equation Modeling

NASA Astrophysics Data System (ADS)

Pollman, C. D.; Swain, E. B.; Bael, D.; Myrbo, A.; Monson, P.; Shore, M. D.

2017-11-01

The generation of elevated concentrations of sulfide in sediment pore waters that are toxic to rooted macrophytes is problematic in both marine and freshwaters. In marine waters, biogeochemical conditions that lead to toxic levels of sulfide generally relate to factors that affect oxygen dynamics or the sediment iron concentration. In freshwaters, increases in surface water sulfate have been implicated in decline of Zizania palustris (wild rice), which is important in wetlands across the Great Lakes region of North America. We developed a structural equation (SE) model to elucidate key variables that govern the evolution of sulfide in pore waters in shallow aquatic habitats that are potentially capable of supporting wild rice. The conceptual basis for the model is the hypothesis that dissimilatory sulfate reduction is limited by the availability of both sulfate and total organic carbon (TOC) in the sediment. The conceptual model also assumes that pore water sulfide concentrations are constrained by the availability of pore water iron and that sediment iron supports the supply of dissolved iron to the pore water. A key result from the SE model is that variations in three external variables (sulfate, sediment TOC, and sediment iron) contribute nearly equally to the observed variations in pore water sulfide. As a result, management efforts to mitigate against the toxic effects of pore water sulfide on macrophytes such as wild rice should approach defining a protective sulfate threshold as an exercise tailored to the geochemistry of each site that quantitatively considers the effects of ambient concentrations of sediment Fe and TOC.

Pathogen Treatment Guidance and Monitoring Approaches fro ...

EPA Pesticide Factsheets

On-site non-potable water reuse is increasingly used to augment water supplies, but traditional fecal indicator approaches for defining and monitoring exposure risks are limited when applied to these decentralized options. This session emphasizes risk-based modeling to define pathogen log-reduction requirements coupled with alternative targets for monitoring enabled by genomic sequencing (i.e., the microbiome of reuse systems). 1. Discuss risk-based modeling to define pathogen log-reduction requirements 2. Review alternative targets for monitoring 3. Gain an understanding of how new tools can help improve successful development of sustainable on-site non-potable water reuse Presented at the Water Wastewater Equipment Treatment & Transport Show.

Water stability of aggregates in subtropical and tropical soils (Georgia and China) and its relationships with the mineralogy and chemical properties

NASA Astrophysics Data System (ADS)

Alekseeva, T. V.; Sokolowska, Z.; Hajnos, M.; Alekseev, A. O.; Kalinin, P. I.

2009-04-01

Water-stable aggregates isolated from three subtropical and one tropical soil (Western Georgia and China) were studied for their organic carbon, cation exchange capacity (CEC), specific surface area, magnetic susceptibility, and total chemical elements. The soils were also studied for their particle-size distribution, mineralogy, and nonsilicate Fe and Al oxides. Describe the water stability, three indices have been used: the content of water-stable macroaggregates (>0.25 mm), the mean weighted diameter of the aggregates, and the numerical aggregation index. The yellow-cinnamonic soil (China) was neutral, and the three other soils were acid. The soils were degraded with a low content of organic matter. The yellow-cinnamonic soil was characterized by the lowest water stability due to the predominantly vermiculite composition of the clay. The high water stability of the Oxisol structure was determined by the kaolinites and high content of oxides. In three out of the four soils studied, the hierarchical levels of the soil structure organization were defined; they were identified by the content of organic matter and the Ca + Mg (in Oxisols). Iron oxides mainly participated in the formation of micro-aggregates; Al and Mn contributed to the formation of macroaggregates. The water-stable aggregates acted as sorption geochemical barriers and accumulated Pb, Zn, Cd, Cs, and other trace elements up to concentrations exceeding their levels in the soil by 5 times and more. The highest correlations were obtained with CEC, Mn, and P rather than with organic carbon and Fe.

Water jacket for solid particle solar receiver

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wasyluk, David T.

A solar receiver includes: water jacket panels each having a light-receiving side and a back side with a watertight sealed plenum defined in-between; light apertures passing through the watertight sealed plenums to receive light from the light-receiving sides of the water jacket panels; a heat transfer medium gap defined between the back sides of the water jacket panels and a cylindrical back plate; and light channeling tubes optically coupled with the light apertures and extending into the heat transfer medium gap. In some embodiments ends of the light apertures at the light receiving side of the water jacket panel aremore » welded together to define at least a portion of the light-receiving side. A cylindrical solar receiver may be constructed using a plurality of such water jacket panels arranged with their light-receiving sides facing outward.« less

The role of price and enforcement in water allocation: insights from Game Theory

NASA Astrophysics Data System (ADS)

Souza Filho, F.; Lall, U.; Porto, R.

2007-12-01

As many countries are moving towards water sector reforms, practical issues of how water management institutions can better effect allocation, regulation and enforcement of water rights have emerged. The uncertainty associated with water that is available at a particular diversion point becomes a parameter that is likely to influence the behavior of water users as to their application for water licenses, as well as their willingness to pay for licensed use. The ability of a water agency to reduce this uncertainty through effective water rights enforcement is related to the fiscal ability of the agency to sustain the enforcement effort. In this paper, this interplay across the users and the agency is explored, considering the hydraulic structure or sequence of water use, and parameters that define the users and the agency's economics. The potential for free rider behavior by the users, as well as their proposals for licensed use are derived conditional on this setting. The analyses presented are developed in the framework of the theory of "Law and Economics", with user interactions modeled as a game theoretic enterprise. The state of Ceara, Brazil is used loosely as an example setting, with parameter values for the experiments indexed to be approximately those relevant for current decisions. The potential for using the ideas in participatory decision making is discussed.

Water-Level Data for the Albuquerque Basin and Adjacent Areas, Central New Mexico, Period of Record Through September 30, 2007

USGS Publications Warehouse

Beman, Joseph E.

2008-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25 to 40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompass the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin are currently (2007) obtained solely from ground-water resources. An increase of about 20 percent in the population from 1990 to 2000 also resulted in an increased demand for water. A network of wells was established to monitor changes in ground-water levels throughout the basin from April 1982 through September 1983. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly in 1983. Currently (2007), the network consists of 131 wells and piezometers. This report presents water-level data collected by U.S. Geological Survey personnel at 131 sites through water-year 2007. Data from five sites (Sites 9, 10, 31, 71 and 78) were not measured during the 2007 water-year, but are included in this report because recent data are useful for comparison and (or) data have been collected that will be included in the water-year 2008 report.

Hydrocarbon-Based Polymer Electrolyte Membranes: Importance of Morphology on Ion Transport and Membrane Stability.

PubMed

Shin, Dong Won; Guiver, Michael D; Lee, Young Moo

2017-03-22

A fundamental understanding of polymer microstructure is important in order to design novel polymer electrolyte membranes (PEMs) with excellent electrochemical performance and stabilities. Hydrocarbon-based polymers have distinct microstructure according to their chemical structure. The ionic clusters and/or channels play a critical role in PEMs, affecting ion conductivity and water transport, especially at medium temperature and low relative humidity (RH). In addition, physical properties such as water uptake and dimensional swelling behavior depend strongly on polymer morphology. Over the past few decades, much research has focused on the synthetic development and microstructural characterization of hydrocarbon-based PEM materials. Furthermore, blends, composites, pressing, shear field, electrical field, surface modification, and cross-linking have also been shown to be effective approaches to obtain/maintain well-defined PEM microstructure. This review summarizes recent work on developments in advanced PEMs with various chemical structures and architecture and the resulting polymer microstructures and morphologies that arise for potential application in fuel cell, lithium ion battery, redox flow battery, actuators, and electrodialysis.

Liquid but Durable: Molecular Dynamics Simulations Explain the Unique Properties of Archaeal-Like Membranes

PubMed Central

Chugunov, Anton O.; Volynsky, Pavel E.; Krylov, Nikolay A.; Boldyrev, Ivan A.; Efremov, Roman G.

2014-01-01

Archaeal plasma membranes appear to be extremely durable and almost impermeable to water and ions, in contrast to the membranes of Bacteria and Eucaryota. Additionally, they remain liquid within a temperature range of 0–100°C. These are the properties that have most likely determined the evolutionary fate of Archaea, and it may be possible for bionanotechnology to adopt these from nature. In this work, we use molecular dynamics simulations to assess at the atomistic level the structure and dynamics of a series of model archaeal membranes with lipids that have tetraether chemical nature and “branched” hydrophobic tails. We conclude that the branched structure defines dense packing and low water permeability of archaeal-like membranes, while at the same time ensuring a liquid-crystalline state, which is vital for living cells. This makes tetraether lipid systems promising in bionanotechnology and material science, namely for design of new and unique membrane nanosystems. PMID:25501042

Classification of soft-shell materials for leisure outdoor jackets by clo defined from thermal properties testing

NASA Astrophysics Data System (ADS)

Tesinova, P.; Steklova, P.; Duchacova, T.

2017-10-01

Materials for outdoor activities are produced in various combinations and lamination helps to combine two or more components for gaining high comfort properties and lighten the structure. Producers can choose exact suitable material for construction of part or set of so called layered clothing for expected activity. Decreasing the weight of materials when preserving of high quality of water-vapour permeability, wind resistivity and hydrostatic resistivity and other comfort and usage properties is a big task nowadays. This paper is focused on thermal properties as an important parameter for being comfort during outdoor activities. Softshell materials were chosen for testing and computation of clo. Results compared with standardised clo table helps us to classify thermal insulation of the set of fabrics when defining proper clothing category.

MODOPTIM: A general optimization program for ground-water flow model calibration and ground-water management with MODFLOW

USGS Publications Warehouse

Halford, Keith J.

2006-01-01

MODOPTIM is a non-linear ground-water model calibration and management tool that simulates flow with MODFLOW-96 as a subroutine. A weighted sum-of-squares objective function defines optimal solutions for calibration and management problems. Water levels, discharges, water quality, subsidence, and pumping-lift costs are the five direct observation types that can be compared in MODOPTIM. Differences between direct observations of the same type can be compared to fit temporal changes and spatial gradients. Water levels in pumping wells, wellbore storage in the observation wells, and rotational translation of observation wells also can be compared. Negative and positive residuals can be weighted unequally so inequality constraints such as maximum chloride concentrations or minimum water levels can be incorporated in the objective function. Optimization parameters are defined with zones and parameter-weight matrices. Parameter change is estimated iteratively with a quasi-Newton algorithm and is constrained to a user-defined maximum parameter change per iteration. Parameters that are less sensitive than a user-defined threshold are not estimated. MODOPTIM facilitates testing more conceptual models by expediting calibration of each conceptual model. Examples of applying MODOPTIM to aquifer-test analysis, ground-water management, and parameter estimation problems are presented.

Source Water Protection Basics

EPA Pesticide Factsheets

Defines drinking water sources (source water), identifies drinking water sources, and describes source water assessments and protection, roles of government and organizations in drinking water source protection

A robust, melting class bulk superhydrophobic material with heat-healing and self-cleaning properties

PubMed Central

Ramakrishna, S.; Santhosh Kumar, K. S.; Mathew, Dona; Reghunadhan Nair, C. P.

2015-01-01

Superhydrophobic (SH) materials are essential for a myriad of applications such as anti-icing and self-cleaning due to their extreme water repellency. A single, robust material simultaneously possessing melt-coatability, bulk water repellency, self-cleanability, self-healability, self-refreshability, and adhesiveness has been remaining an elusive goal. We demonstrate a unique class of melt-processable, bulk SH coating by grafting long alkyl chains on silica nanoparticle surface by a facile one-step method. The well-defined nanomaterial shows SH property in the bulk and is found to heal macro-cracks on gentle heating. It retains wettability characteristics even after abrading with a sand paper. The surface regenerates SH features (due to reversible self-assembly of nano structures) quickly at ambient temperature even after cyclic water impalement, boiling water treatment and multiple finger rubbing tests. It exhibits self-cleaning properties on both fresh and cut surfaces. This kind of coating, hitherto undisclosed, is expected to be a breakthrough in the field of melt-processable SH coatings. PMID:26679096

Electric dipole moments of nanosolvated acid molecules in water clusters.

PubMed

Guggemos, Nicholas; Slavíček, Petr; Kresin, Vitaly V

2015-01-30

The electric dipole moments of (H2O)nDCl (n=3-9) clusters have been measured by the beam-deflection method. Reflecting the (dynamical) charge distribution within the system, the dipole moment contributes information about the microscopic structure of nanoscale solvation. The addition of a DCl molecule to a water cluster results in a strongly enhanced susceptibility. There is evidence for a noticeable rise in the dipole moment occurring at n≈5-6. This size is consistent with predictions for the onset of ionic dissociation. Additionally, a molecular-dynamics model suggests that even with a nominally bound impurity an enhanced dipole moment can arise due to the thermal and zero-point motion of the proton and the water molecules. The experimental measurements and the calculations draw attention to the importance of fluctuations in defining the polarity of water-based nanoclusters and generally to the essential role played by motional effects in determining the response of fluxional nanoscale systems under realistic conditions.

Concrete alteration due to 55 years of exposure to river water: Chemical and mineralogical characterisation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenqvist, Martin; Bertron, Alexandra; Fridh, Katja

This article presents a study on concrete alteration mechanisms due to 55 years of exposure to river water. Many hydro power structures in cold regions suffer from concrete deterioration at the waterline. Progressive disintegration of the concrete surface leads to exposure of the coarse aggregate and eventually the reinforcing steel. Concrete cylinders drilled out at four vertically different locations on the upstream face of a concrete dam were analysed by electron microprobe analysis, X-ray diffraction, thermogravimetry and scanning electron microscopy. Long-term exposure to the river water, which is regarded as soft water, has led to chemical and mineralogical zonation ofmore » the cement paste. Up to five zones with different chemical and mineralogical composition, parallel to the upstream face, were observed in the outermost 8–9 mm of the concrete. Decalcification, precipitation of secondary ettringite and the formation of a magnesium-rich silica gel constitute the major changes that define the zones.« less

Amphiphilic polypeptides as a bifunctional template in the mineralization of calcium carbonate at the air/water interface.

PubMed

Cao, Heng; Lin, Guoqiang; Yao, Jinrong; Shao, Zhengzhong

2013-05-01

A well-defined amphiphilic polypeptide, poly(glutamic acid)22 -block-poly(alanine)8 (PGlu22 -b-PAla8 ), which plays the roles of both soluble (functional) additive and insoluble (structural) matrix, is employed to mediate the mineralization of CaCO3 at the air/water interface. X-ray diffraction (XRD) and Raman spectroscopy, for example, show that the polymorph of CaCO3 particles obtained is calcite. The observations from SEM and TEM suggest that PGlu22 -b-PAla8 initiates the amorphous precursor phase and heterogeneous nucleation of CaCO3 at the air/water interface, while temporarily stabilizes the gelatinous precursors as a process-directing agent; nevertheless, the initial concentration of Ca(2+) controls the procedure of crystallization and the final morphology of CaCO3 particles. Such "bifunctional" amphiphilic-polypeptide-regulated mineralization at the air/water interface may be applied to the synthesis of many kinds of symmetrical inorganic/organic hybrids. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-resolution imaging of (100) kyanite surfaces using friction force microscopy in water

NASA Astrophysics Data System (ADS)

Pimentel, Carlos; Gnecco, Enrico; Pina, Carlos M.

2015-05-01

In this paper, we present high-resolution friction force microscopy (FFM) images of the (100) face of kyanite (Al2SiO5) immersed in water. These images show an almost rectangular lattice presumably defined by the protruding oxygen of AlO6 polyhedra. Surface lattice parameters measured on two-dimensional fast Fourier transform (2D-FFT) plots of recorded high-resolution friction maps are in good agreement with lattice parameters calculated from the bulk mineral structure. Friction measurements performed along the [001] and [010] directions on the kyanite (100) face provide similar friction coefficients μ ≈ 0.10, even if the sequences of AlO6 polyhedra are different along the two crystallographic directions.

Analysis of Influence of Foaming Mixture Components on Structure and Properties of Foam Glass

NASA Astrophysics Data System (ADS)

Karandashova, N. S.; Goltsman, B. M.; Yatsenko, E. A.

2017-11-01

It is recommended to use high-quality thermal insulation materials to increase the energy efficiency of buildings. One of the best thermal insulation materials is foam glass - durable, porous material that is resistant to almost any effect of substance. Glass foaming is a complex process depending on the foaming mode and the initial mixture composition. This paper discusses the influence of all components of the mixture - glass powder, foaming agent, enveloping material and water - on the foam glass structure. It was determined that glass powder is the basis of the future material. A foaming agent forms a gas phase in the process of thermal decomposition. This aforementioned gas foams the viscous glass mass. The unreacted residue thus changes a colour of the material. The enveloping agent slows the foaming agent decomposition preventing its premature burning out and, in addition, helps to accelerate the sintering of glass particles. The introduction of water reduces the viscosity of the foaming mixture making it evenly distributed and also promotes the formation of water gas that additionally foams the glass mass. The optimal composition for producing the foam glass with the density of 150 kg/m3 is defined according to the results of the research.

Movement and effects of spilled oil over the outer continental shelf; inadequacy of existent data for the Baltimore Canyon Trough area

USGS Publications Warehouse

Knebel, Harley J.

1974-01-01

A deductive approach to the problem of determining the movement and effects of spilled oil over the Outer Continental Shelf requires that the potential paths of oil be determined first, in order that critical subareas may be defined for later studies. The paths of spilled oil, in turn, depend primarily on the temporal and spatial variability of four factors: the thermohaline structure of the waters, the circulation of the water, the winds, and the distribution of suspended matter. A review of the existent data concerning these factors for the Baltimore Canyon Trough area (a relatively well studied segment of the Continental Shelf) reveals that the movement and dispersal of potential oil spills cannot be reliably predicted. Variations in the thermohaline structure of waters and in the distribution of suspended matter are adequately known; the uncertainty is due to insufficient wind and storm statistics and to the lack of quantitative understanding of the relationship between the nontidal drift and its basic driving mechanisms. Similar inadequacies should be anticipated for other potentially leasable areas of the shelf because an understanding of the movement of spilled oil has not been the underlying aim of most previous studies.

Interannual variations in needle and sapwood traits of Pinus edulis branches under an experimental drought.

PubMed

Guérin, Marceau; Martin-Benito, Dario; von Arx, Georg; Andreu-Hayles, Laia; Griffin, Kevin L; Hamdan, Rayann; McDowell, Nate G; Muscarella, Robert; Pockman, William; Gentine, Pierre

2018-02-01

In the southwestern USA, recent large-scale die-offs of conifers raise the question of their resilience and mortality under droughts. To date, little is known about the interannual structural response to droughts. We hypothesized that piñon pines ( Pinus edulis ) respond to drought by reducing the drop of leaf water potential in branches from year to year through needle morphological adjustments. We tested our hypothesis using a 7-year experiment in central New Mexico with three watering treatments (irrigated, normal, and rain exclusion). We analyzed how variation in "evaporative structure" (needle length, stomatal diameter, stomatal density, stomatal conductance) responded to watering treatment and interannual climate variability. We further analyzed annual functional adjustments by comparing yearly addition of needle area (LA) with yearly addition of sapwood area (SA) and distance to tip ( d ), defining the yearly ratios SA:LA and SA:LA/ d . Needle length ( l ) increased with increasing winter and monsoon water supply, and showed more interannual variability when the soil was drier. Stomatal density increased with dryness, while stomatal diameter was reduced. As a result, anatomical maximal stomatal conductance was relatively invariant across treatments. SA:LA and SA:LA/ d showed significant differences across treatments and contrary to our expectation were lower with reduced water input. Within average precipitation ranges, the response of these ratios to soil moisture was similar across treatments. However, when extreme soil drought was combined with high VPD, needle length, SA:LA and SA:LA/ d became highly nonlinear, emphasizing the existence of a response threshold of combined high VPD and dry soil conditions. In new branch tissues, the response of annual functional ratios to water stress was immediate (same year) and does not attempt to reduce the drop of water potential. We suggest that unfavorable evaporative structural response to drought is compensated by dynamic stomatal control to maximize photosynthesis rates.

Atomistic details of protein dynamics and the role of hydration water

DOE PAGES

Khodadadi, Sheila; Sokolov, Alexei P.

2016-05-04

The importance of protein dynamics for their biological activity is nowwell recognized. Different experimental and computational techniques have been employed to study protein dynamics, hierarchy of different processes and the coupling between protein and hydration water dynamics. But, understanding the atomistic details of protein dynamics and the role of hydration water remains rather limited. Based on overview of neutron scattering, molecular dynamic simulations, NMR and dielectric spectroscopy results we present a general picture of protein dynamics covering time scales from faster than ps to microseconds and the influence of hydration water on different relaxation processes. Internal protein dynamics spread overmore » a wide time range fromfaster than picosecond to longer than microseconds. We suggest that the structural relaxation in hydrated proteins appears on the microsecond time scale, while faster processes present mostly motion of side groups and some domains. Hydration water plays a crucial role in protein dynamics on all time scales. It controls the coupled protein-hydration water relaxation on 10 100 ps time scale. Our process defines the friction for slower protein dynamics. Analysis suggests that changes in amount of hydration water affect not only general friction, but also influence significantly the protein's energy landscape.« less

Atomistic details of protein dynamics and the role of hydration water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khodadadi, Sheila; Sokolov, Alexei P.

The importance of protein dynamics for their biological activity is nowwell recognized. Different experimental and computational techniques have been employed to study protein dynamics, hierarchy of different processes and the coupling between protein and hydration water dynamics. But, understanding the atomistic details of protein dynamics and the role of hydration water remains rather limited. Based on overview of neutron scattering, molecular dynamic simulations, NMR and dielectric spectroscopy results we present a general picture of protein dynamics covering time scales from faster than ps to microseconds and the influence of hydration water on different relaxation processes. Internal protein dynamics spread overmore » a wide time range fromfaster than picosecond to longer than microseconds. We suggest that the structural relaxation in hydrated proteins appears on the microsecond time scale, while faster processes present mostly motion of side groups and some domains. Hydration water plays a crucial role in protein dynamics on all time scales. It controls the coupled protein-hydration water relaxation on 10 100 ps time scale. Our process defines the friction for slower protein dynamics. Analysis suggests that changes in amount of hydration water affect not only general friction, but also influence significantly the protein's energy landscape.« less

Supramolecular control of transition metal complexes in water by a hydrophobic cavity: a bio-inspired strategy.

PubMed

Bistri, Olivia; Reinaud, Olivia

2015-03-14

Supramolecular chemistry in water is a very challenging research area. In biology, water is the universal solvent where transition metal ions play major roles in molecular recognition and catalysis. In enzymes, it participates in substrate binding and/or activation in the heart of a pocket defined by the folded protein. The association of a hydrophobic cavity with a transition metal ion is thus a very appealing strategy for controlling the metal ion properties in the very competitive water solvent. Various systems based on intrinsically water-soluble macrocyclic structures such as cyclodextrins, cucurbituryls, and metallo-cages have been reported. Others use calixarenes and resorcinarenes functionalized with hydrophilic substituents. One approach for connecting a metal complex to these cavities is to graft a ligand for metal ion binding at their edge. Early work with cyclodextrins has shown Michaelis-Menten like catalysis displaying enhanced kinetics and substrate-selectivity. Remarkable examples of regio- and stereo-selective transformation of substrates have been reported as well. Dynamic two-phase systems for transition metal catalysis have also been developed. They rely on either water-transfer of the metal complex through ligand embedment or synergistic coordination of a metal ion and substrate hosting. Another strategy consists in using metallo-cages, which provide a well-defined hydrophobic space, to stabilize metal complexes in water. When the cages can host simultaneously a substrate and a reactive metal complex, size- and regio-selective catalysis was obtained. Finally, construction of a polydentate coordination site closely interlocked with a calixarene or resorcinarene macrocycle has been shown to be a very fruitful strategy for obtaining metal complexes with remarkable hosting properties. For each of these systems, the synergism resulting from the biomimetic association of a hydrophobic cavity and a metal ion is discussed within the objective of developing new tools for either selective molecular recognition (with analytical perspectives) or performant catalysis, in water.

Geopressured-geothermal test of the EDNA Delcambre No. 1 well, Tigre Lagoon Field, Vermilion Parish, Louisiana: geology of the Tigre Lagoon Field, Planulina Basin. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1978-10-01

The geology and hydrology of the Tigre Lagoon Gas Field and the structural and depositional basin in which it occurs, as described, define a hydrodynamic system which has been in operation for millions of years. Fluid entrapment and geopressuring of the deposits has resulted in steepened geothermal gradients, accelerated maturation and thermal degradation (cracking) of fluid hydrocarbons, thermal diagenesis of certain clay minerals with release of much bound and intracrystalline water as free pore water, and a systematic fluid migration history controlled by the sand-bed aquifers in the basin, and by upward leakage at growth faults wherever fluid pressures approachedmore » or exceeded rock pressures. Observed geotemperature, geopressure, water salinity, and natural gas occurrence in the study area conform with the conceptual model developed.« less

Self-Assembly of Peptides at the Air/Water Interface

NASA Astrophysics Data System (ADS)

Sayar, Mehmet

2013-03-01

Peptides are commonly used as building blocks for design and development of novel materials with a variety of application areas ranging from drug design to biotechnology. The precise control of molecular architecture and specific nature of the nonbonded interactions among peptides enable aggregates with well defined structural and functional properties. The interaction of peptides with interfaces leads to dramatic changes in their conformational and aggregation behavior. In this talk, I will discuss our research on the interplay of intermolecular forces and influence of interfaces. In the first part the amphiphilic nature of short peptide oligomers and their behavior at the air/water interface will be discussed. The surface driving force and its decomposition will be analyzed. In the second part aggregation of peptides in bulk water and at an interface will be discussed. Different design features which can be tuned to control aggregation behavior will be analyzed.

Intercalation of sulfonated melamine formaldehyde polycondensates into a hydrocalumite LDH structure

NASA Astrophysics Data System (ADS)

von Hoessle, F.; Plank, J.; Leroux, F.

2015-05-01

A series of sulfonated melamine formaldehyde (SMF) polycondensates possessing different anionic charge amounts and molecular weights was synthesized and incorporated into a hydrocalumite type layered double hydroxide structure using the rehydration method. For this purpose, tricalcium aluminate was dispersed in water and hydrated in the presence of these polymers. Defined inorganic-organic hybrid materials were obtained as reaction products. All SMF polymers tested intercalated readily into the hydrocalumite structure, independent of their different molecular weights (chain lengths) and anionic charge amounts. X-ray diffraction revealed typical patterns for weakly ordered, highly polymer loaded LDH materials which was confirmed via elemental analysis and thermogravimetry. IR spectroscopy suggests that the SMF polymers are interleaved between the [Ca2Al(OH)6]+ main sheets via electrostatic interaction, and that no chemical bond between the host matrix and the guest anion is formed. The SMF polymers well ensconced within the LDH structure exhibit significantly slower thermal degradation.

Evaluation of Isoprene Chain Extension from PEO Macromolecular Chain Transfer Agents for the Preparation of Dual, Invertible Block Copolymer Nanoassemblies.

PubMed

Bartels, Jeremy W; Cauët, Solène I; Billings, Peter L; Lin, Lily Yun; Zhu, Jiahua; Fidge, Christopher; Pochan, Darrin J; Wooley, Karen L

2010-09-14

Two RAFT-capable PEO macro-CTAs, 2 and 5 kDa, were prepared and used for the polymerization of isoprene which yielded well-defined block copolymers of varied lengths and compositions. GPC analysis of the PEO macro-CTAs and block copolymers showed remaining unreacted PEO macro-CTA. Mathematical deconvolution of the GPC chromatograms allowed for the estimation of the blocking efficiency, about 50% for the 5 kDa PEO macro-CTA and 64% for the 2 kDa CTA. Self assembly of the block copolymers in both water and decane was investigated and the resulting regular and inverse assemblies, respectively, were analyzed with DLS, AFM, and TEM to ascertain their dimensions and properties. Assembly of PEO-b-PIp block copolymers in aqueous solution resulted in well-defined micelles of varying sizes while the assembly in hydrophobic, organic solvent resulted in the formation of different morphologies including large aggregates and well-defined cylindrical and spherical structures.

Physics of protein folding

NASA Astrophysics Data System (ADS)

Finkelstein, A. V.; Galzitskaya, O. V.

2004-04-01

Protein physics is grounded on three fundamental experimental facts: protein, this long heteropolymer, has a well defined compact three-dimensional structure; this structure can spontaneously arise from the unfolded protein chain in appropriate environment; and this structure is separated from the unfolded state of the chain by the “all-or-none” phase transition, which ensures robustness of protein structure and therefore of its action. The aim of this review is to consider modern understanding of physical principles of self-organization of protein structures and to overview such important features of this process, as finding out the unique protein structure among zillions alternatives, nucleation of the folding process and metastable folding intermediates. Towards this end we will consider the main experimental facts and simple, mostly phenomenological theoretical models. We will concentrate on relatively small (single-domain) water-soluble globular proteins (whose structure and especially folding are much better studied and understood than those of large or membrane and fibrous proteins) and consider kinetic and structural aspects of transition of initially unfolded protein chains into their final solid (“native”) 3D structures.

Supramolecular Engineering of Hierarchically Self-Assembled, Bioinspired, Cholesteric Nanocomposites Formed by Cellulose Nanocrystals and Polymers.

PubMed

Zhu, Baolei; Merindol, Remi; Benitez, Alejandro J; Wang, Baochun; Walther, Andreas

2016-05-04

Natural composites are hierarchically structured by combination of ordered colloidal and molecular length scales. They inspire future, biomimetic, and lightweight nanocomposites, in which extraordinary mechanical properties are in reach by understanding and mastering hierarchical structure formation as tools to engineer multiscale deformation mechanisms. Here we describe a hierarchically self-assembled, cholesteric nanocomposite with well-defined colloid-based helical structure and supramolecular hydrogen bonds engineered on the molecular level in the polymer matrix. We use reversible addition-fragmentation transfer polymerization to synthesize well-defined hydrophilic, nonionic polymers with a varying functionalization density of 4-fold hydrogen-bonding ureidopyrimidinone (UPy) motifs. We show that these copolymers can be coassembled with cellulose nanocrystals (CNC), a sustainable, stiff, rod-like reinforcement, to give ordered cholesteric phases with characteristic photonic stop bands. The dimensions of the helical pitch are controlled by the ratio of polymer/CNC, confirming a smooth integration into the colloidal structure. With respect to the effect of the supramolecular motifs, we demonstrate that those regulate the swelling when exposing the biomimetic hybrids to water, and they allow engineering the photonic response. Moreover, the amount of hydrogen bonds and the polymer fraction are decisive in defining the mechanical properties. An Ashby plot comparing previous ordered CNC-based nanocomposites with our new hierarchical ones reveals that molecular engineering allows us to span an unprecedented mechanical property range from highest inelastic deformation (strain up to ∼13%) to highest stiffness (E ∼ 15 GPa) and combinations of both. We envisage that further rational design of the molecular interactions will provide efficient tools for enhancing the multifunctional property profiles of such bioinspired nanocomposites.

40 CFR 35.168 - Award limitations.

Code of Federal Regulations, 2013 CFR

2013-07-01

...-assumed enforcement as defined in section 309(a)(2) of the Clean Water Act in effect with respect to the... appropriate, with activities proposed for funding under sections 205(g) and (j) of the Clean Water Act; and (5...-assumed enforcement as defined in section 309(a)(2) of the Clean Water Act in effect with respect to the...

50 CFR 660.399 - EFH Conservation Areas off the Coast of California.

Code of Federal Regulations, 2010 CFR

2010-10-01

.... The boundary of the Harris Point EFH Conservation Area is defined by the mean high water line and... commercial and recreational take of living marine resources is allowed, exists between the mean high water... Scorpion EFH Conservation Area is defined by the mean high water line and a straight line connecting all of...

50 CFR 660.79 - EFH Conservation Areas off the Coast of California.

Code of Federal Regulations, 2011 CFR

2011-10-01

.... The boundary of the Harris Point EFH Conservation Area is defined by the mean high water line and... commercial and recreational take of living marine resources is allowed, exists between the mean high water... Scorpion EFH Conservation Area is defined by the mean high water line and a straight line connecting all of...

18 CFR 4.60 - Applicability and notice to agencies.

Code of Federal Regulations, 2011 CFR

2011-04-01

... DETERMINATION OF PROJECT COSTS Application for License for Minor Water Power Projects and Major Water Power Projects 5 Megawatts or Less § 4.60 Applicability and notice to agencies. (a) Applicability. The provisions... water power project, as defined in § 4.30(b)(17); (2) Any major project—existing dam, as defined in § 4...

18 CFR 4.60 - Applicability and notice to agencies.

Code of Federal Regulations, 2010 CFR

2010-04-01

... DETERMINATION OF PROJECT COSTS Application for License for Minor Water Power Projects and Major Water Power Projects 5 Megawatts or Less § 4.60 Applicability and notice to agencies. (a) Applicability. The provisions... water power project, as defined in § 4.30(b)(17); (2) Any major project—existing dam, as defined in § 4...

18 CFR 4.60 - Applicability and notice to agencies.

Code of Federal Regulations, 2012 CFR

2012-04-01

... DETERMINATION OF PROJECT COSTS Application for License for Minor Water Power Projects and Major Water Power Projects 5 Megawatts or Less § 4.60 Applicability and notice to agencies. (a) Applicability. The provisions... water power project, as defined in § 4.30(b)(17); (2) Any major project—existing dam, as defined in § 4...

18 CFR 4.60 - Applicability and notice to agencies.

Code of Federal Regulations, 2014 CFR

2014-04-01

... DETERMINATION OF PROJECT COSTS Application for License for Minor Water Power Projects and Major Water Power Projects 5 Megawatts or Less § 4.60 Applicability and notice to agencies. (a) Applicability. The provisions... water power project, as defined in § 4.30(b)(17); (2) Any major project—existing dam, as defined in § 4...

18 CFR 4.60 - Applicability and notice to agencies.

Code of Federal Regulations, 2013 CFR

2013-04-01

... DETERMINATION OF PROJECT COSTS Application for License for Minor Water Power Projects and Major Water Power Projects 5 Megawatts or Less § 4.60 Applicability and notice to agencies. (a) Applicability. The provisions... water power project, as defined in § 4.30(b)(17); (2) Any major project—existing dam, as defined in § 4...

40 CFR 60.4380 - How are excess emissions and monitor downtime defined for NOX?

Code of Federal Regulations, 2011 CFR

2011-07-01

... and monitor downtime that must be reported are defined as follows: (a) For turbines using water or... is injected into the turbine when a fuel is being burned that requires water or steam injection for... operating hour in which water or steam is injected into the turbine, but the essential parametric data...

40 CFR 60.4380 - How are excess emissions and monitor downtime defined for NOX?

Code of Federal Regulations, 2012 CFR

2012-07-01

... and monitor downtime that must be reported are defined as follows: (a) For turbines using water or... is injected into the turbine when a fuel is being burned that requires water or steam injection for... operating hour in which water or steam is injected into the turbine, but the essential parametric data...

40 CFR 60.4380 - How are excess emissions and monitor downtime defined for NOX?

Code of Federal Regulations, 2010 CFR

2010-07-01

... and monitor downtime that must be reported are defined as follows: (a) For turbines using water or... is injected into the turbine when a fuel is being burned that requires water or steam injection for... operating hour in which water or steam is injected into the turbine, but the essential parametric data...

40 CFR 60.4380 - How are excess emissions and monitor downtime defined for NOX?

Code of Federal Regulations, 2014 CFR

2014-07-01

... and monitor downtime that must be reported are defined as follows: (a) For turbines using water or... is injected into the turbine when a fuel is being burned that requires water or steam injection for... operating hour in which water or steam is injected into the turbine, but the essential parametric data...

40 CFR 60.4380 - How are excess emissions and monitor downtime defined for NOX?

Code of Federal Regulations, 2013 CFR

2013-07-01

... and monitor downtime that must be reported are defined as follows: (a) For turbines using water or... is injected into the turbine when a fuel is being burned that requires water or steam injection for... operating hour in which water or steam is injected into the turbine, but the essential parametric data...

Re-defining and quantifying inorganic phosphate pools in the Soil and Water Assessment Tool

USDA-ARS?s Scientific Manuscript database

Abstract The Soil and Water Assessment Tool (SWAT), a large-scale hydrologic model, can be used to estimate the impact of land management practices on phosphate (P) loading in streams and water bodies. Three inorganic soil P pools (labile, active, and stable P) are currently defined in the SWAT mo...

Molecular mechanisms of cryoprotection in aqueous proline: light scattering and molecular dynamics simulations.

PubMed

Troitzsch, R Z; Vass, H; Hossack, W J; Martyna, G J; Crain, J

2008-04-10

Free proline amino acid is a natural cryoprotectant expressed by numerous organisms under low-temperature stress. Previous reports have suggested that complex assemblies underlie its functional properties. We investigate here aqueous proline solutions as a function of temperature using combinations of Raman spectroscopy, Rayleigh-Brillouin light scattering, and molecular dynamics simulations with the view to revealing the molecular origins of the mixtures' functionality as a cryoprotectant. The evolution of the Brillouin frequency shifts and line widths with temperature shows that, above a critical proline concentration, the water-like dynamics is suppressed and viscoelastic behavior emerges: Here, the Landau-Placzek ratio also shows a temperature-independent maximum arising from concentration fluctuations. Molecular dynamics simulations reveal that the water-water correlations in the mixtures depend much more weakly on temperature than does bulk water. By contrast, the water OH Raman bands exhibit strong red-shifts on cooling similar to those seen in ices; however, no evidence of ice lattice phonons is observed in the low-frequency spectrum. We attribute this primarily to enhanced proline-water hydrogen bonding. In general, the picture that emerges is that aqueous proline is a heterogeneous mixture on molecular length scales (characterized by significant concentration fluctuations rather than well-defined aggregates). Simulations reveal that proline also appears to suppress the normal dependence of water structure on temperature and preserves the ambient-temperature correlations even in very cold solutions. The water structure in cold proline solutions therefore appears to be similar to that at a higher effective temperature. This, coupled with the emergence of glassy dynamics offers a molecular explanation for the functional properties of proline as a cryoprotectant without the need to invoke previously proposed complex aggregates.

Geophysical evaluation of sandstone aquifers in the Reconcavo-Tucano Basin, Bahia -- Brazil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lima, O.A.L. de

1993-11-01

The upper clastic sediments in the Reconcavo-Tucano basin comprise a multilayer aquifer system of Jurassic age. Its groundwater is normally fresh down to depths of more than 1,000 m. Locally, however, there are zones producing high salinity or sulfur geothermal water. Analysis of electrical logs of more than 150 wells enabled the identification of the most typical sedimentary structures and the gross geometries for the sandstone units in selected areas of the basin. Based on this information, the thick sands are interpreted as coalescent point bars and the shales as flood plain deposits of a large fluvial environment. The resistivitymore » logs and core laboratory data are combined to develop empirical equations relating aquifer porosity and permeability to log-derived parameters such as formation factor and cementation exponent. Temperature logs of 15 wells were useful to quantify the water leakage through semiconfining shales. The groundwater quality was inferred from spontaneous potential (SP) log deflections under control of chemical analysis of water samples. An empirical chart is developed that relates the SP-derived water resistivity to the true water resistivity within the formations. The patterns of salinity variation with depth inferred from SP logs were helpful in identifying subsurface flows along major fault zones, where extensive mixing of water is taking place. A total of 49 vertical Schlumberger resistivity soundings aid in defining aquifer structures and in extrapolating the log derived results. Transition zones between fresh and saline waters have also been detected based on a combination of logging and surface sounding data. Ionic filtering by water leakage across regional shales, local convection and mixing along major faults and hydrodynamic dispersion away from lateral permeability contrasts are the main mechanisms controlling the observed distributions of salinity and temperature within the basin.« less

Detection of coliform bacteria and Escherichia coli by multiplex polymerase chain reaction: comparison with defined substrate and plating methods for water quality monitoring.

PubMed Central

Bej, A K; McCarty, S C; Atlas, R M

1991-01-01

Multiplex polymerase chain reaction (PCR) and gene probe detection of target lacZ and uidA genes were used to detect total coliform bacteria and Escherichia coli, respectively, for determining water quality. In tests of environmental water samples, the lacZ PCR method gave results statistically equivalent to those of the plate count and defined substrate methods accepted by the U.S. Environmental Protection Agency for water quality monitoring and the uidA PCR method was more sensitive than 4-methylumbelliferyl-beta-D-glucuronide-based defined substrate tests for specific detection of E. coli. Images PMID:1768116

Structure and energetics of model amphiphilic molecules at the water liquid-vapor interface - A molecular dynamics study

NASA Technical Reports Server (NTRS)

Pohorille, Andrew; Benjamin, Ilan

1993-01-01

A molecular dynamics study of adsorption of p-n-pentylphenol at infinite dilution at the water liquid-vapor interface is reported. The calculated free energy of adsorption is -8.8 +/- 0.7 kcal/mol, in good agreement with the experimental value of -7.3 kcal/mol. The transition between the interfacial region and the bulk solution is sharp and well-defined by energetic, conformational, and orientational criteria. At the water surface, the phenol head group is mostly immersed in aqueous solvent. The most frequent orientation of the hydrocarbon tail is parallel to the interface, due to dispersion interactions with the water surface. This arrangement of the phenol ring and the alkyl chain requires that the chain exhibits a kink. As the polar head group is being moved into the solvent, the chain length increases and the tail becomes increasingly aligned toward the surface normal, such that the nonpolar part of the molecule exposed to water is minimized. The same effect was achieved when phenol was replaced by a more polar head group, phenolate.

Fronts and Thermohaline Structure of the Brazil Current Confluence System

NASA Astrophysics Data System (ADS)

Severov, Dimitri

and Thermohaline Structure of the Brazil Current Confluence System (BCCS) are stud-ied from climatic data, "Marathon Exp. Leg.8, 1984"data, and two Sea surface temperature (SST) data bases: "Meteor satellite"(1989-1994) and "ds277-Reynolds" (1981-2000).The South Atlantic Central Water (SACW) is divided in two main types: tropical (TW) and subtropical water (ST). Water masses, fronts, inter-frontal and frontal zones are analysed and classified: a) the water masses: Tropical Low-Salinity Water, Tropical Surface Water, Tropical Tropospheric Water, Subtropical Low-Salinity Water, Subtropical Surface Water, Subtropical Tropospheric Water. T,S characteristics of intermediate, deep and bottom water defined by different authors are confirmed and completed; b) the Inter-frontal Zones: Tropical/Brazil Current Zone, Sub-tropical Zone and Subantarctic Zone; c) the Frontal Zones: Subtropical, Subantarctic and Polar, and d) the Fronts: Subtropical Front of the Brazil Current, Principal Subtropical Front, North Subtropical Front, Subtropical Surface Front, South Subtropical Front, Subantarctic Surface Front, Subantarctic Front and Polar Front. Several stable T-S relationships are found below the friction layer and at the Fronts. The maximum gradient of the oceanographic characteris-tics occurs at the Brazil Current Front, which can be any of the subtropical fronts, depending on season. Minimum mean depth of the pycnocline coincides with the fronts of the BCCS, indicating the paths of low-salinity shelf waters into the open ocean. D. N. Severov (a) , V. Pshennikov (b) and A.V. Remeslo (c) a -Sección Oceanologé Facultad de Ciencia, Universidad de la Republica, Igué 4225, 11400 ıa, a Montevideo, Uruguay. Tel. (598-2) 525-8618, Fax (598-2) 525-8617, mail: dima@fcien.edu.uy b -Instituto de Física, Facultad de Ciencias, Universidad de la Republica, Igué 4225, 11400 Mon-a tevideo, Uruguay, mail: seva@fisica.edu.uy c -Atlantic Research Inst. For Fisheries Oceanology (Atlant/NIRO), Kaliningrad, Russia

The defining role of structure (including epitaxy) in the plausibility of homeopathy.

PubMed

Rao, Manju Lata; Roy, Rustum; Bell, Iris R; Hoover, Richard

2007-07-01

The key stumbling block to serious consideration of homeopathy is the presumed "implausibility" of biological activity for homeopathic medicines in which the source material is diluted past Avogadro's number of molecules. Such an argument relies heavily on the assumptions of elementary chemistry (and biochemistry), in which the material composition of a solution, (dilution factors and ligand-receptor interactions), is the essential consideration. In contrast, materials science focuses on the three-dimensional complex network structure of the condensed phase of water itself, rather than the original solute molecules. The nanoheterogenous structure of water can be determined by interactive phenomena such as epitaxy (the transmission of structural information from the surface of one material to another without the transfer of any matter), temperature-pressure processes during succussion, and formation of colloidal nanobubbles containing gaseous inclusions of oxygen, nitrogen, carbon dioxide, and possibly the remedy source material. Preliminary data obtained using Raman and Ultra-Violet-Visible (UV-VIS) spectroscopy illustrate the ability to distinguish two different homeopathic medicines (Nux vomica and Natrum muriaticum) from one another and to differentiate, within a given medicine, the 6c, 12c, and 30c potencies. Materials science concepts and experimental tools offer a new approach to contemporary science, for making significant advances in the basic science studies of homeopathic medicines.

Quantum mechanical calculations of charge effects on gating the KcsA channel.

PubMed

Kariev, Alisher M; Znamenskiy, Vasiliy S; Green, Michael E

2007-05-01

A series of ab initio (density functional) calculations were carried out on side chains of a set of amino acids, plus water, from the (intracellular) gating region of the KcsA K(+) channel. Their atomic coordinates, except hydrogen, are known from X-ray structures [D.A. Doyle, J.M. Cabral, R.A. Pfuetzner, A. Kuo, J.M. Gulbis, S.L. Cohen, B.T. Chait, R. MacKinnon, The structure of the potassium channel: molecular basis of K(+) conduction and selectivity, Science 280 (1998) 69-77; R. MacKinnon, S.L. Cohen, A. Kuo, A. Lee, B.T. Chait, Structural conservation in prokaryotic and eukaryotic potassium channels, Science 280 (1998) 106-109; Y. Jiang, A. Lee, J. Chen, M. Cadene, B.T. Chait, R. MacKinnon, The open pore conformation of potassium channels. Nature 417 (2001) 523-526], as are the coordinates of some water oxygen atoms. The 1k4c structure is used for the starting coordinates. Quantum mechanical optimization, in spite of the starting configuration, places the atoms in positions much closer to the 1j95, more tightly closed, configuration. This state shows four water molecules forming a "basket" under the Q119 side chains, blocking the channel. When a hydrated K(+) approaches this "basket", the optimized system shows a strong set of hydrogen bonds with the K(+) at defined positions, preventing further approach of the K(+) to the basket. This optimized structure with hydrated K(+) added shows an ice-like 12 molecule nanocrystal of water. If the water molecules exchange, unless they do it as a group, the channel will remain blocked. The "basket" itself appears to be very stable, although it is possible that the K(+) with its hydrating water molecules may be more mobile, capable of withdrawing from the gate. It is also not surprising that water essentially freezes, or forms a kind of glue, in a nanometer space; this agrees with experimental results on a rather different, but similarly sized (nm dimensions) system [K.B. Jinesh, J.W.M. Frenken, Capillary condensation in atomic scale friction: how water acts like a glue, Phys. Rev. Lett. 96 (2006) 166103/1-4]. It also agrees qualitatively with simulations on channels [A. Anishkin, S. Sukharev, Water dynamics and dewetting transitions in the small mechanosensitive channel MscS, Biophys. J. 86 (2004) 2883-2895; O. Beckstein, M.S.P. Sansom, Liquid-vapor oscillations of water in hydrophobic nanopores, Proc. Natl Acad. Sci. U. S. A. 100 (2003) 7063-7068] and on featureless channel-like systems [J. Lu, M.E. Green, Simulation of water in a pore with charges: application to a gating mechanism for ion channels, Prog. Colloid Polym. Sci. 103 (1997) 121-129], in that it forms a boundary on water that is not obvious from the liquid state. The idea that a structure is stable, even if individual molecules exchange, is well known, for example from the hydration shell of ions. We show that when charges are added in the form of protons to the domains (one proton per domain), the optimized structure is open. No stable water hydrogen bonds hold it together; an opening of 11.0 A appears, measured diagonally between non-neighboring domains as glutamine 119 carbonyl O-O distance. This is comparable to the opening in the MthK potassium channel structure that is generally agreed to be open. The appearance of the opening is in rather good agreement with that found by Perozo and coworkers. In contrast, in the uncharged structure this diagonal distance is 6.5 A, and the water "basket" constricts the uncharged opening still further, with the ice-like structure that couples the K(+) ion to the gating region freezing the entrance to the channel. Comparison with our earlier model for voltage gated channels suggests that a similar mechanism may apply in those channels.

Advanced Technology Display House. Volume 1: Project Summary and Procedures

NASA Technical Reports Server (NTRS)

Maund, D. H.

1981-01-01

The Advanced Technology Display House (ATDH) project is described. Tasks are defined in the areas of energy demand, water demand, sewage treatment, electric power, plumbing, lighting, heating, and air conditioning. Energy, water, and sewage systems are defined.

Crystal Structure of the Extended-Spectrum β-Lactamase PER-2 and Insights into the Role of Specific Residues in the Interaction with β-Lactams and β-Lactamase Inhibitors

PubMed Central

Ruggiero, Melina; Kerff, Frédéric; Herman, Raphaël; Sapunaric, Frédéric; Galleni, Moreno; Gutkind, Gabriel; Charlier, Paulette; Sauvage, Eric

2014-01-01

PER-2 belongs to a small (7 members to date) group of extended-spectrum β-lactamases. It has 88% amino acid identity with PER-1 and both display high catalytic efficiencies toward most β-lactams. In this study, we determined the X-ray structure of PER-2 at 2.20 Å and evaluated the possible role of several residues in the structure and activity toward β-lactams and mechanism-based inhibitors. PER-2 is defined by the presence of a singular trans bond between residues 166 to 167, which generates an inverted Ω loop, an expanded fold of this domain that results in a wide active site cavity that allows for efficient hydrolysis of antibiotics like the oxyimino-cephalosporins, and a series of exclusive interactions between residues not frequently involved in the stabilization of the active site in other class A β-lactamases. PER β-lactamases might be included within a cluster of evolutionarily related enzymes harboring the conserved residues Asp136 and Asn179. Other signature residues that define these enzymes seem to be Gln69, Arg220, Thr237, and probably Arg/Lys240A (“A” indicates an insertion according to Ambler's scheme for residue numbering in PER β-lactamases), with structurally important roles in the stabilization of the active site and proper orientation of catalytic water molecules, among others. We propose, supported by simulated models of PER-2 in combination with different β-lactams, the presence of a hydrogen-bond network connecting Ser70-Gln69-water-Thr237-Arg220 that might be important for the proper activity and inhibition of the enzyme. Therefore, we expect that mutations occurring in these positions will have impacts on the overall hydrolytic behavior. PMID:25070104

Amyloid-β nanotubes are associated with prion protein-dependent synaptotoxicity

PubMed Central

Nicoll, Andrew J.; Panico, Silvia; Freir, Darragh B.; Wright, Daniel; Terry, Cassandra; Risse, Emmanuel; Herron, Caroline E.; O’Malley, Tiernan; Wadsworth, Jonathan D. F.; Farrow, Mark A.; Walsh, Dominic M.; Saibil, Helen R.; Collinge, John

2013-01-01

Growing evidence suggests water-soluble, non-fibrillar forms of amyloid-β protein (Aβ) have important roles in Alzheimer’s disease with toxicities mimicked by synthetic Aβ1–42. However, no defined toxic structures acting via specific receptors have been identified and roles of proposed receptors, such as prion protein (PrP), remain controversial. Here we quantify binding to PrP of Aβ1–42 after different durations of aggregation. We show PrP-binding and PrP-dependent inhibition of long-term potentiation (LTP) correlate with the presence of protofibrils. Globular oligomers bind less avidly to PrP and do not inhibit LTP, whereas fibrils inhibit LTP in a PrP-independent manner. That only certain transient Aβ assemblies cause PrP-dependent toxicity explains conflicting reports regarding the involvement of PrP in Aβ-induced impairments. We show that these protofibrils contain a defined nanotubular structure with a previously unidentified triple helical conformation. Blocking the formation of Aβ nanotubes or their interaction with PrP might have a role in treatment of Alzheimer’s disease. PMID:24022506

Quantifying Spatial Genetic Structuring in Mesophotic Populations of the Precious Coral Corallium rubrum

PubMed Central

Costantini, Federica; Carlesi, Lorenzo; Abbiati, Marco

2013-01-01

While shallow water red coral populations have been overharvested in the past, nowadays, commercial harvesting shifted its pressure on mesophotic organisms. An understanding of red coral population structure, particularly larval dispersal patterns and connectivity among harvested populations is paramount to the viability of the species. In order to determine patterns of genetic spatial structuring of deep water Corallium rubrum populations, for the first time, colonies found between 58–118 m depth within the Tyrrhenian Sea were collected and analyzed. Ten microsatellite loci and two regions of mitochondrial DNA (mtMSH and mtC) were used to quantify patterns of genetic diversity within populations and to define population structuring at spatial scales from tens of metres to hundreds of kilometres. Microsatellites showed heterozygote deficiencies in all populations. Significant levels of genetic differentiation were observed at all investigated spatial scales, suggesting that populations are likely to be isolated. This differentiation may by the results of biological interactions, occurring within a small spatial scale and/or abiotic factors acting at a larger scale. Mitochondrial markers revealed significant genetic structuring at spatial scales greater then 100 km showing the occurrence of a barrier to gene flow between northern and southern Tyrrhenian populations. These findings provide support for the establishment of marine protected areas in the deep sea and off-shore reefs, in order to effectively maintain genetic diversity of mesophotic red coral populations. PMID:23646109

Quantifying spatial genetic structuring in mesophotic populations of the precious coral Corallium rubrum.

PubMed

Costantini, Federica; Carlesi, Lorenzo; Abbiati, Marco

2013-01-01

While shallow water red coral populations have been overharvested in the past, nowadays, commercial harvesting shifted its pressure on mesophotic organisms. An understanding of red coral population structure, particularly larval dispersal patterns and connectivity among harvested populations is paramount to the viability of the species. In order to determine patterns of genetic spatial structuring of deep water Corallium rubrum populations, for the first time, colonies found between 58-118 m depth within the Tyrrhenian Sea were collected and analyzed. Ten microsatellite loci and two regions of mitochondrial DNA (mtMSH and mtC) were used to quantify patterns of genetic diversity within populations and to define population structuring at spatial scales from tens of metres to hundreds of kilometres. Microsatellites showed heterozygote deficiencies in all populations. Significant levels of genetic differentiation were observed at all investigated spatial scales, suggesting that populations are likely to be isolated. This differentiation may by the results of biological interactions, occurring within a small spatial scale and/or abiotic factors acting at a larger scale. Mitochondrial markers revealed significant genetic structuring at spatial scales greater then 100 km showing the occurrence of a barrier to gene flow between northern and southern Tyrrhenian populations. These findings provide support for the establishment of marine protected areas in the deep sea and off-shore reefs, in order to effectively maintain genetic diversity of mesophotic red coral populations.

Clusters of isoleucine, leucine, and valine side chains define cores of stability in high-energy states of globular proteins: Sequence determinants of structure and stability.

PubMed

Kathuria, Sagar V; Chan, Yvonne H; Nobrega, R Paul; Özen, Ayşegül; Matthews, C Robert

2016-03-01

Measurements of protection against exchange of main chain amide hydrogens (NH) with solvent hydrogens in globular proteins have provided remarkable insights into the structures of rare high-energy states that populate their folding free-energy surfaces. Lacking, however, has been a unifying theory that rationalizes these high-energy states in terms of the structures and sequences of their resident proteins. The Branched Aliphatic Side Chain (BASiC) hypothesis has been developed to explain the observed patterns of protection in a pair of TIM barrel proteins. This hypothesis supposes that the side chains of isoleucine, leucine, and valine (ILV) residues often form large hydrophobic clusters that very effectively impede the penetration of water to their underlying hydrogen bond networks and, thereby, enhance the protection against solvent exchange. The linkage between the secondary and tertiary structures enables these ILV clusters to serve as cores of stability in high-energy partially folded states. Statistically significant correlations between the locations of large ILV clusters in native conformations and strong protection against exchange for a variety of motifs reported in the literature support the generality of the BASiC hypothesis. The results also illustrate the necessity to elaborate this simple hypothesis to account for the roles of adjacent hydrocarbon moieties in defining stability cores of partially folded states along folding reaction coordinates. © 2015 The Protein Society.

Monitoring flooding and vegetation on seasonally inundated floodplains with multifrequency polarimetric synthetic aperture radar

NASA Astrophysics Data System (ADS)

Hess, Laura Lorraine

The ability of synthetic aperture radar to detect flooding and vegetation structure was evaluated for three seasonally inundated floodplain sites supporting a broad variety of wetland and upland vegetation types: two reaches of the Solimoes floodplain in the central Amazon, and the Magela Creek floodplain in Northern Territory, Australia. For each site, C- and L-band polarimetric Shuttle Imaging Radar-C (SIR-C) data was obtained at both high- and low-water stages. Inundation status and vegetation structure were documented simultaneous with the SIR-C acquisitions using low-altitude videography and ground measurements. SIR-C images were classified into cover states defined by vegetation physiognomy and presence of standing water, using a decision-tree model with backscattering coefficients at HH, VV, and HV polarizations as input variables. Classification accuracy was assessed using user's accuracy, producer's accuracy, and kappa coefficient for a test population of pixels. At all sites, both C- and L-band were necessary to accurately classify cover types with two dates. HH polarization was most. useful for distinguishing flooded from non-flooded vegetation (C-HH for macrophyte versus pasture, L-HH for flooded versus non-flooded forest), and cross-polarized L-band data provided the best separation between woody and non-woody vegetation. Increases in L-HH backscattering due to flooding were on the order of 3--4 dB for closed-canopy varzea and igapo forest, and 4--7 dB, for open Melaleuca woodland. The broad range of physiognomies and stand structures found in both herbaceous and woody wetland communities, combined with the variation in the amount of emergent canopy caused by water level fluctuations and phenologic changes, resulted in a large range in backscattering characteristics of wetland communities both within and between sites. High accuracies cannot be achieved for these communities using single-date, single-band, single-polarization data, particularly in the case of distinguishing flooded macrophyte from non-flooded forest vegetation. However, the large changes in backscattering caused by flooding make it possible to achieve good accuracies (>85%) using multi-temporal data. Where river stage records are available, SAR-based maps of inundation status on a series of dates can be linked to long-term stage data to define wetland habitat types based on flooding regime and low-water vegetation cover.

Data model and relational database design for the New England Water-Use Data System (NEWUDS)

USGS Publications Warehouse

Tessler, Steven

2001-01-01

The New England Water-Use Data System (NEWUDS) is a database for the storage and retrieval of water-use data. NEWUDS can handle data covering many facets of water use, including (1) tracking various types of water-use activities (withdrawals, returns, transfers, distributions, consumptive-use, wastewater collection, and treatment); (2) the description, classification and location of places and organizations involved in water-use activities; (3) details about measured or estimated volumes of water associated with water-use activities; and (4) information about data sources and water resources associated with water use. In NEWUDS, each water transaction occurs unidirectionally between two site objects, and the sites and conveyances form a water network. The core entities in the NEWUDS model are site, conveyance, transaction/rate, location, and owner. Other important entities include water resources (used for withdrawals and returns), data sources, and aliases. Multiple water-exchange estimates can be stored for individual transactions based on different methods or data sources. Storage of user-defined details is accommodated for several of the main entities. Numerous tables containing classification terms facilitate detailed descriptions of data items and can be used for routine or custom data summarization. NEWUDS handles single-user and aggregate-user water-use data, can be used for large or small water-network projects, and is available as a stand-alone Microsoft? Access database structure. Users can customize and extend the database, link it to other databases, or implement the design in other relational database applications.

Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer.

PubMed

Davie, Stuart J; Di Pasquale, Nicodemo; Popelier, Paul L A

2016-10-15

Machine learning algorithms have been demonstrated to predict atomistic properties approaching the accuracy of quantum chemical calculations at significantly less computational cost. Difficulties arise, however, when attempting to apply these techniques to large systems, or systems possessing excessive conformational freedom. In this article, the machine learning method kriging is applied to predict both the intra-atomic and interatomic energies, as well as the electrostatic multipole moments, of the atoms of a water molecule at the center of a 10 water molecule (decamer) cluster. Unlike previous work, where the properties of small water clusters were predicted using a molecular local frame, and where training set inputs (features) were based on atomic index, a variety of feature definitions and coordinate frames are considered here to increase prediction accuracy. It is shown that, for a water molecule at the center of a decamer, no single method of defining features or coordinate schemes is optimal for every property. However, explicitly accounting for the structure of the first solvation shell in the definition of the features of the kriging training set, and centring the coordinate frame on the atom-of-interest will, in general, return better predictions than models that apply the standard methods of feature definition, or a molecular coordinate frame. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

Classification and assessment of water bodies as adaptive structural measures for flood risk management planning.

PubMed

McMinn, William R; Yang, Qinli; Scholz, Miklas

2010-09-01

Severe rainfall events have become increasingly common in Europe. Flood defence engineering works are highly capital intensive and can be limited by land availability, leaving land and communities exposed to repeated flooding. Any adaptive drainage structure must have engineered inlets and outlets that control the water level and the rate of release. In Scotland, there are a relatively high number of drinking water reservoirs (operated by Scottish Water), which fall within this defined category and could contribute to flood management control. Reducing the rate of runoff from the upper reaches of a catchment will reduce the volume and peak flows of flood events downstream, thus allowing flood defences to be reduced in size, decreasing the corresponding capital costs. A database of retention basins with flood control potential has been developed for Scotland. The research shows that the majority of small and former drinking water reservoirs are kept full and their spillways are continuously in operation. Utilising some of the available capacity to contribute to flood control could reduce the costs of complying with the EU Flood Directive. Furthermore, the application of a previously developed classification model for Baden in Germany for the Scottish data set showed a lower diversity for basins in Scotland due to less developed infrastructure. The principle value of this approach is a clear and unambiguous categorisation, based on standard variables, which can help to promote communication and understanding between stakeholders. 2010 Elsevier Ltd. All rights reserved.

Acoustic measurements of F-16 aircraft operating in hush house, NSN 4920-02-070-2721

NASA Astrophysics Data System (ADS)

Miller, V. R.; Plzak, G. A.; Chinn, J. M.

1981-09-01

The purpose of this test program was to measure the acoustic environment in the hush house facility located at Kelly Air Force Base, Texas, during operation of the F-16 aircraft to ensure that aircraft structural acoustic design limits were not exceeded. The acoustic measurements showed that no sonic fatigue problems are anticipated with the F-16 aircraft aft fuselage structure during operation in the hush house. The measured acoustic levels were less than those measured in an F-16 aircraft water cooled hush house at Hill AFB, but were increased over that measured during ground run up. It was recommended that the acoustic loads measured in this program should be specified in the structural design criteria for aircraft which will be subjected to hush house operation or defining requirements for associated equipment.

Waste management for different fusion reactor designs

NASA Astrophysics Data System (ADS)

Rocco, Paolo; Zucchetti, Massimo

2000-12-01

Safety and Environmental Assessment of Fusion Power (SEAFP) waste management studies performed up to 1998 concerned three power tokamak designs. In-vessel structural materials consist of V-alloys or low activation martensitic (LAM) steel; tritium-producing materials are Li 2O, Pb-17Li, Li 4SiO 4 with a Be-multiplier; coolants are helium or water. The strategy chosen reduces permanent radwaste by recycling the in-vessel materials and by clearance of the other structures. Limits of the contact dose rate and specific activity of the waste allowing such options are defined accordingly. SEAFP activities for 1999 enlarge the analysis to three additional reactors with in-vessel structures made with SiC/SiC composites. These materials cannot be recycled due to their form and, according to national regulations of E.C. countries, long-lived activation products hinder near-surface burial (NSB).

Housing Interventions and Control of Injury-Related Structural Deficiencies: A Review of the Evidence

PubMed Central

DiGuiseppi, Carolyn; Jacobs, David E.; Phelan, Kieran J.; Mickalide, Angela; Ormandy, David

2010-01-01

Subject matter experts systematically reviewed evidence on the effectiveness of housing interventions that affect safety and injury outcomes, such as falls, fire-related injuries, burns and drowning, carbon monoxide poisoning, heat-related deaths, and noise-related harm, associated with structural housing deficiencies. Structural deficiencies were defined as those deficiencies for which a builder, landlord, or homeowner would take responsibility (ie, design, construction, installation, repair, monitoring). Three of the 17 interventions reviewed had sufficient evidence for implementation: installed, working smoke alarms; 4-sided isolation pool fencing; and preset safe hot water temperature. Five interventions needed more field evaluation, 8 needed formative research, and 1 was found to be ineffective. This evidence review shows that housing improvements are likely to help reduce burns and scalds, drowning in pools, and fire-related deaths and injuries. PMID:20689373

On the role of water density fluctuations in the inhibition of a proton channel

PubMed Central

Gianti, Eleonora; Delemotte, Lucie; Klein, Michael L.; Carnevale, Vincenzo

2016-01-01

Hv1 is a transmembrane four-helix bundle that transports protons in a voltage-controlled manner. Its crucial role in many pathological conditions, including cancer and ischemic brain damage, makes Hv1 a promising drug target. Starting from the recently solved crystal structure of Hv1, we used structural modeling and molecular dynamics simulations to characterize the channel’s most relevant conformations along the activation cycle. We then performed computational docking of known Hv1 inhibitors, 2-guanidinobenzimidazole (2GBI) and analogs. Although salt-bridge patterns and electrostatic potential profiles are well-defined and distinctive features of activated versus nonactivated states, the water distribution along the channel lumen is dynamic and reflects a conformational heterogeneity inherent to each state. In fact, pore waters assemble into intermittent hydrogen-bonded clusters that are replaced by the inhibitor moieties upon ligand binding. The entropic gain resulting from releasing these conformationally restrained waters to the bulk solvent is likely a major contributor to the binding free energy. Accordingly, we mapped the water density fluctuations inside the pore of the channel and identified the regions of maximum fluctuation within putative binding sites. Two sites appear as outstanding: One is the already known binding pocket of 2GBI, which is accessible to ligands from the intracellular side; the other is a site located at the exit of the proton permeation pathway. Our analysis of the waters confined in the hydrophobic cavities of Hv1 suggests a general strategy for drug discovery that can be applied to any ion channel. PMID:27956641

Integration of seismic-reflection and well data to assess the potential impact of stratigraphic and structural features on sustainable water supply from the Floridan aquifer system, Broward County, Florida

USGS Publications Warehouse

Cunningham, Kevin J.

2014-01-01

The U.S. Geological Survey and Broward County water managers commenced a 3.5-year cooperative study in July 2012 to refine the geologic and hydrogeologic framework of the Floridan aquifer system (FAS) in Broward County. A lack of advanced stratigraphic knowledge of the physical system and structural geologic anomalies (faults and fractures originating from tectonics and karst-collapse structures) within the FAS pose a risk to the sustainable management of the resource. The principal objective of the study is to better define the regional stratigraphic and structural setting of the FAS in Broward County. The objective will be achieved through the acquisition, processing, and interpretation of new seismic-reflection data along several canals in Broward County. The interpretation includes integration of the new seismic-reflection data with existing seismic-reflection profiles along Hillsboro Canal in Broward County and within northeast Miami-Dade County, as well as with data from nearby FAS wellbores. The scope of the study includes mapping the geologic, hydrogeologic, and seismic-reflection framework of the FAS, and identifying stratigraphic and structural characteristics that could either facilitate or preclude the sustainable use of the FAS as an alternate water supply or a treated effluent repository. In addition, the investigation offers an opportunity to: (1) improve existing groundwater flow models, (2) enhance the understanding of the sensitivity of the groundwater system to well-field development and upconing of saline fluids, and (3) support site selection for future FAS projects, such as Class I wells that would inject treated effluent into the deep Boulder Zone.

The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation

DOE PAGES

Skinner, L. B.; Galib, M.; Fulton, J. L.; ...

2016-04-04

In this study, x-ray diffraction measurements of liquid water are reported at pressures up to 360 MPa corresponding to a density of 0.0373 molecules per Å 3. The measurements were conducted at a spatial resolution corresponding to Q max = 16 Å -1. The method of data analysis and measurement in this study follows the earlier benchmark results reported for water under ambient conditions having a density of 0.0333 molecules per Å 3 and Q max = 20 Å -1 [J. Chem. Phys. 138, 074506 (2013)] and at 70°C having a density of 0.0327 molecules per Å 3 and Qmore » max = 20 Å -1 [J. Chem. Phys. 141, 214507 (2014)]. The structure of water is very different at these three different T and P state points and thus they provide the basis for evaluating the fidelity of molecular simulation. Measurements show that at 360 MPa, the 4 waters residing in the region between 2.3 and 3 Å are nearly unchanged: the peak position, shape, and coordination number are nearly identical to their values under ambient conditions. However, in the region above 3 Å, large structural changes occur with the collapse of the well-defined 2nd shell and shifting of higher shells to shorter distances. The measured structure is compared to simulated structure using intermolecular potentials described by both first-principles methods (revPBE-D3) and classical potentials (TIP4P/2005, MB-pol, and mW). The DFT-based, revPBE-D3, method and the many-body empirical potential model, MB-pol, provide the best overall representation of the ambient, high-temperature, and high-pressure data. Finally, the revPBE-D3, MB-pol, and the TIP4P/2005 models capture the densification mechanism, whereby the non-bonded 5th nearest neighbor molecule, which partially encroaches the 1st shell at ambient pressure, is pushed further into the local tetrahedral arrangement at higher pressures by the more distant molecules filling the void space in the network between the 1st and 2nd shells.« less

Water exploration using Magnetotelluric and gravity data analysis; Wadi Nisah, Riyadh, Saudi Arabia

NASA Astrophysics Data System (ADS)

Aboud, Essam; Saud, Ramzi; Asch, Theodore; Aldamegh, Khaled; Mogren, Saad

2014-12-01

Saudi Arabia is a desert country with no permanent rivers or lakes and very little rainfall. Ground water aquifers are the major source of water in Saudi Arabia. In the Riyadh region, several Wadies including Wadi Nisah store about 14 × 106 m3 of water, which is extracted for local irrigation purposes. In such areas, the water wells are as shallow as 200-300 m in depth. The importance of Wadi Nisah is because the subsurface water aquifers that are present there could support the region for many years as a water resource. Accordingly, in this study, we performed a Magnetotelluric survey using a portable broadband sounding system (MT24/LF) to evaluate the ground water aquifer at great depths. We collected 10 broadband Magnetotelluric sounding stations (1 station/day) with an interval of about 2-3 km reaching a profile length of about 25-30 km along Wadi Nisah. Additionally, we used available gravity data to image the subsurface structure containing the aquifer. MT results indicated a low resistivity layer, associated with alluvium deposits, which was defined at a depth of about 1-2 km and extended horizontally about 15 km. Gravity data analysis was used to model this resistivity layer indicating a basement surface at 3-4 km depth.

How does subsurface retain and release stored water? An explicit estimation of young water fraction and mean transit time

NASA Astrophysics Data System (ADS)

Ameli, Ali; McDonnell, Jeffrey; Laudon, Hjalmar; Bishop, Kevin

2017-04-01

The stable isotopes of water have served science well as hydrological tracers which have demonstrated that there is often a large component of "old" water in stream runoff. It has been more problematic to define the full transit time distribution of that stream water. Non-linear mixing of previous precipitation signals that is stored for extended periods and slowly travel through the subsurface before reaching the stream results in a large range of possible transit times. It difficult to find tracers can represent this, especially if all that one has is data on the precipitation input and the stream runoff. In this paper, we explicitly characterize this "old water" displacement using a novel quasi-steady physically-based flow and transport model in the well-studied S-Transect hillslope in Sweden where the concentration of hydrological tracers in the subsurface and stream has been measured. We explore how subsurface conductivity profile impacts the characteristics of old water displacement, and then test these scenarios against the observed dynamics of conservative hydrological tracers in both the stream and subsurface. This work explores the efficiency of convolution-based approaches in the estimation of stream "young water" fraction and time-variant mean transit times. We also suggest how celerity and velocity differ with landscape structure

Water-Energy-Food Nexus in Asia-Pacific Ring of Fire

NASA Astrophysics Data System (ADS)

Taniguchi, M.; Endo, A.; Gurdak, J. J.; Allen, D. M.; Siringan, F.; Delinom, R.; Shoji, J.; Fujii, M.; Baba, K.

2013-12-01

Climate change and economic development are causing increased pressure on water, energy and food resources, presenting communities with increased levels of tradeoffs and potential conflicts among these resources. Therefore, the water-energy-food nexus is one of the most important and fundamental global environmental issues facing the world. For the purposes of this research project, we define human-environmental security as the joint optimization between human and environmental security as well as the water-energy-food nexus. To optimize the governance and management within these inter-connected needs, it is desirable to increase human-environmental security by improving social managements for the water-energy-food nexus. In this research project, we intend to establish a method to manage and optimize the human-environmental security of the water-energy-food nexus by using integrated models, indices, and maps as well as social and natural investigations with stakeholder analyses. We base our approach on the viewpoint that it is important for a sustainable society to increase human-environmental security with decreasing risk and increasing resilience by optimizing the connections within the critical water-energy and water-food clusters. We will take a regional perspective to address these global environmental problems. The geological and geomorphological conditions in our proposed study area are heavily influenced by the so-called 'Ring of Fire,' around the Pacific Ocean. Within these areas including Japan and Southeast Asia, the hydro-meteorological conditions are dominated by the Asia monsoon. The populations that live under these natural conditions face elevated risk and potential disaster as negative impacts, while also benefitting from positive ecological goods and services. There are therefore tradeoffs and conflicts within the water-energy-food nexus, as well as among various stakeholders in the region. The objective of this project is to maximize human-environmental security (minimize the risk) by choosing management structures and policies that optimize both the water-food-energy nexus in Asia-Pacific coastal regions. We define joint security approach as optimized policy. Optimal policies will develop joint security approaches for human-environmental security in the coastal region of the Ring of Fire, including stakeholders and decision-makers.

The Critical Zone: A Necessary Framework for Understanding Surface Earth Processes

NASA Astrophysics Data System (ADS)

Dietrich, W. E.

2016-12-01

One definition of the critical zone is: the thin veneer of Earth that extends from the top of the vegetation to the base of weathered bedrock. With this definition we can envision the critical zone as a distinct entity with a well-defined top and a fairly well-defined bottom that is distributed across terrestrial earth landscapes. It is a zone of co-evolving processes and, importantly, much of this zone is well below the soil mantle (and commonly more than 10 times thicker than the soil). Weathering advance into fresh bedrock creates a hydrologically-conductive skin that mediates runoff and solute chemistry, stores water used by vegetation, releases water as baseflow to streams, influences soil production and hillslope evolution, and feeds gasses to the atmosphere. Especially in seasonally dry environments, rock moisture in the critical zone, i.e. moisture that is exchangeable and potentially mobile in the matrix and fractures of the bedrock, can be a significant source of water to plants and is a previously unrecognized large component of the water budget that matters to climate models. First observations on the systematic variation of the critical zone across hillslopes have led to four distinct theories representing four distinct processes for what controls the depth to fresh bedrock (and thus the thickness of this zone across a hillslope). These theories are motivating geophysical surveys, deep drilling, and other actions to parameterize and explore the power of these models. Studies at the NSF-supported Critical Zone Observatories have taught us that the critical zone is an entity and that enduring field studies reveal key processes. A challenge we now face is how to include this emerging understanding of the critical zone into models of reactive transport, hydrologic processes and water supply, critical zone structure, landscape evolution, and climate.

Solution Structure of Enterocin HF, an Antilisterial Bacteriocin Produced by Enterococcus faecium M3K31.

PubMed

Arbulu, Sara; Lohans, Christopher T; van Belkum, Marco J; Cintas, Luis M; Herranz, Carmen; Vederas, John C; Hernández, Pablo E

2015-12-16

The solution structure of enterocin HF (EntHF), a class IIa bacteriocin of 43 amino acids produced by Enterococcus faecium M3K31, was evaluated by CD and NMR spectroscopy. Purified EntHF was unstructured in water, but CD analysis supports that EntHF adopts an α-helical conformation when exposed to increasing concentrations of trifluoroethanol. Furthermore, NMR spectroscopy indicates that this bacteriocin adopts an antiparallel β-sheet structure in the N-terminal region (residues 1-17), followed by a well-defined central α-helix (residues 19-30) and a more disordered C-terminal end (residues 31-43). EntHF could be structurally organized into three flexible regions that might act in a coordinated manner. This is in agreement with the absence of long-range nuclear Overhauser effect signals between the β-sheet domain and the C-terminal end of the bacteriocin. The 3D structure recorded for EntHF fits emerging facts regarding target recognition and mode of action of class IIa bacteriocins.

Shelf Circulation Induced by an Orographic Wind Jet

NASA Astrophysics Data System (ADS)

Ràfols, Laura; Grifoll, Manel; Jordà, Gabriel; Espino, Manuel; Sairouní, Abdel; Bravo, Manel

2017-10-01

The dynamical response to cross-shelf wind-jet episodes is investigated. The study area is located at the northern margin of the Ebro Shelf, in the Northwestern (NW) Mediterranean Sea, where episodes of strong northwesterly wind occur. In this case, the wind is channeled through the Ebro Valley and intensifies upon reaching the sea, resulting in a wind jet. The wind-jet response in terms of water circulation and vertical density structure is investigated using a numerical model. The numerical outputs agree with water current observations from a high-frequency radar. Additionally, temperature, sea level, and wind measurements are also used for the skill assessment of the model. For the wind-jet episodes, the numerical results show a well-defined two-layer circulation in the cross-shelf direction, with the surface currents in the direction of the wind. This pattern is consistent with sea level set-down due to the wind effect. The comparison of the vertical structure response for different episodes revealed that the increase of stratification leads to an onshore displacement of the transition from inner shelf to mid-shelf. In general, the cross-shelf momentum balance during a wind-jet episode exhibits a balance between the frictional terms and the pressure gradient in shallow waters, shifting to a balance between the Coriolis force and the wind stress terms in deeper waters.

Transformation of irregular shaped silver nanostructures into nanoparticles by under water pulsed laser melting

NASA Astrophysics Data System (ADS)

Yadavali, S.; Sandireddy, V. P.; Kalyanaraman, R.

2016-05-01

The ability to easily manufacture nanostructures with a desirable attribute, such as well-defined size and shape, especially from any given initial shapes or sizes of the material, will be helpful towards accelerating the use of nanomaterials in various applications. In this work we report the transformation of discontinuous irregular nanostructures (DIN) of silver metal by rapid heating under a bulk fluid layer. Ag films were changed into DIN by dewetting in air and subsequently heated by nanosecond laser pulses under water. Our findings show that the DIN first ripens into elongated structures and then breaks up into nanoparticles. From the dependence of this behavior on laser fluence we found that under water irradiation reduced the rate of ripening and also decreased the characteristic break-up length scale of the elongated structures. This latter result was qualitatively interpreted as arising from a Rayleigh-Plateau instability modified to yield significantly smaller length scales than the classical process due to pressure gradients arising from the rapid evaporation of water during laser melting. These results demonstrate that it is possible to fabricate a dense collection of monomodally sized Ag nanoparticles with significantly enhanced plasmonic quality starting from the irregular shaped materials. This can be beneficial towards transforming discontinuous Ag films into nanostructures with useful plasmonic properties, that are relevant for biosensing applications.

Highly Sensitive and Selective Uranium Detection in Natural Water Systems Using a Luminescent Mesoporous Metal-Organic Framework Equipped with Abundant Lewis Basic Sites: A Combined Batch, X-ray Absorption Spectroscopy, and First Principles Simulation Investigation.

PubMed

Liu, Wei; Dai, Xing; Bai, Zhuanling; Wang, Yanlong; Yang, Zaixing; Zhang, Linjuan; Xu, Lin; Chen, Lanhua; Li, Yuxiang; Gui, Daxiang; Diwu, Juan; Wang, Jianqiang; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao

2017-04-04

Uranium is not only a strategic resource for the nuclear industry but also a global contaminant with high toxicity. Although several strategies have been established for detecting uranyl ions in water, searching for new uranium sensor material with great sensitivity, selectivity, and stability remains a challenge. We introduce here a hydrolytically stable mesoporous terbium(III)-based MOF material compound 1, whose channels are as large as 27 Å × 23 Å and are equipped with abundant exposed Lewis basic sites, the luminescence intensity of which can be efficiently and selectively quenched by uranyl ions. The detection limit in deionized water reaches 0.9 μg/L, far below the maximum contamination standard of 30 μg/L in drinking water defined by the United States Environmental Protection Agency, making compound 1 currently the only MOF material that can achieve this goal. More importantly, this material exhibits great capability in detecting uranyl ions in natural water systems such as lake water and seawater with pH being adjusted to 4, where huge excesses of competing ions are present. The uranyl detection limits in Dushu Lake water and in seawater were calculated to be 14.0 and 3.5 μg/L, respectively. This great detection capability originates from the selective binding of uranyl ions onto the Lewis basic sites of the MOF material, as demonstrated by synchrotron radiation extended X-ray adsorption fine structure, X-ray adsorption near edge structure, and first principles calculations, further leading to an effective energy transfer between the uranyl ions and the MOF skeleton.

The Unseeing State: How Ideals of Modernity Have Undermined Innovation in Africa's Urban Water Systems.

PubMed

Nilsson, David

2016-12-01

In contrast to the European historical experience, Africa's urban infrastructural systems are characterised by stagnation long before demand has been saturated. Water infrastructures have been stabilised as systems predominantly providing services for elites, with millions of poor people lacking basic services in the cities. What is puzzling is that so little emphasis has been placed on innovation and the adaptation of the colonial technological paradigm to better suit the local and current socio-economic contexts. Based on historical case studies of Kampala and Nairobi, this paper argues that the lack of innovation in African urban water infrastructure can be understood using Pinch and Bijker's concept of technological closure, and by looking at water technology from its embedded values and ideology. Large-scale water technology became part of African leaders' strategies to build prosperous nations and cities after decolonisation and the ideological purpose of infrastructure may have been much more important than previously understood. Water technology had reached a state of closure in Europe and then came to represent modernisation and progress in the colonial context. It has continued to serve such a similar symbolic purpose after independence, with old norms essentially being preserved. Recent sector reforms have defined problems predominantly as of economic and institutional nature while state actors have become 'unseeing' vis-á-vis controversies within the technological systems themselves. In order to induce socio-technical innovation towards equality in urban infrastructure services, it will be necessary to understand the broader incentive structure that governs the relevant social groups, such as governments, donors, water suppliers and the consumers, as well as power-structures and political accountability.

Environmental setting of the Yellowstone River basin, Montana, North Dakota, and Wyoming

USGS Publications Warehouse

Zelt, Ronald B.; Boughton, G.K.; Miller, K.A.; Mason, J.P.; Gianakos, L.M.

1999-01-01

Natural and anthropogenic factors influence water-quality conditions in the Yellowstone River Basin. Physiography parallels the structural geologic setting that is generally composed of several uplifts and structural basins. Contrasts in climate and vegetation reflect topographic controls and the midcontinental location of the study unit. Surface-water hydrology reflects water surpluses in mountainous areas that are dominated by snowmelt runoff, and arid to semiarid conditions in the plains that are dissected by typically irrigated valleys in the remainder of the study unit. Principal shallow aquifers are Tertiary sandstones and unconsolidated Quaternary deposits. Human population, though sparsely distributed in general, is growing most rapidly in a few urban centers and resort areas, mostly in the northwestern part of the basin. Land use is areally dominated by grazing in the basins and plains and economically dominated by mineral-extraction activities. Forests are the dominant land cover in mountainous areas. Cropland is a major land use in principal stream valleys. Water use is dominated by irrigated agriculture overall, but mining and public-supply facilities are major users of ground water. Coal and hydrocarbon production and reserves distinguish the Yellowstone River Basin as a principal energy-minerals resources region. Current metallic ore production or reserves are nationally significant for platinum-group elements and chromium.The study unit was subdivided as an initial environmental stratification for use in designing the National Water-Quality Assessment Program investigation that began in 1997. Ecoregions, geologic groups, mineral-resource areas, and general land-cover and land-use categories were used in combination to define 18 environmental settings in the Yellowstone River Basin. It is expected that these different settings will be reflected in differing water-quality or aquatic-ecological characteristics.

Geologic assessment of undiscovered oil and gas resources—Lower Cretaceous Albian to Upper Cretaceous Cenomanian carbonate rocks of the Fredericksburg and Washita Groups, United States Gulf of Mexico Coastal Plain and State Waters

USGS Publications Warehouse

Swanson, Sharon M.; Enomoto, Catherine B.; Dennen, Kristin O.; Valentine, Brett J.; Cahan, Steven M.

2017-02-10

In 2010, the U.S. Geological Survey (USGS) assessed Lower Cretaceous Albian to Upper Cretaceous Cenomanian carbonate rocks of the Fredericksburg and Washita Groups and their equivalent units for technically recoverable, undiscovered hydrocarbon resources underlying onshore lands and State Waters of the Gulf Coast region of the United States. This assessment was based on a geologic model that incorporates the Upper Jurassic-Cretaceous-Tertiary Composite Total Petroleum System (TPS) of the Gulf of Mexico basin; the TPS was defined previously by the USGS assessment team in the assessment of undiscovered hydrocarbon resources in Tertiary strata of the Gulf Coast region in 2007. One conventional assessment unit (AU), which extends from south Texas to the Florida panhandle, was defined: the Fredericksburg-Buda Carbonate Platform-Reef Gas and Oil AU. The assessed stratigraphic interval includes the Edwards Limestone of the Fredericksburg Group and the Georgetown and Buda Limestones of the Washita Group. The following factors were evaluated to define the AU and estimate oil and gas resources: potential source rocks, hydrocarbon migration, reservoir porosity and permeability, traps and seals, structural features, paleoenvironments (back-reef lagoon, reef, and fore-reef environments), and the potential for water washing of hydrocarbons near outcrop areas.In Texas and Louisiana, the downdip boundary of the AU was defined as a line that extends 10 miles downdip of the Lower Cretaceous shelf margin to include potential reef-talus hydrocarbon reservoirs. In Mississippi, Alabama, and the panhandle area of Florida, where the Lower Cretaceous shelf margin extends offshore, the downdip boundary was defined by the offshore boundary of State Waters. Updip boundaries of the AU were drawn based on the updip extent of carbonate rocks within the assessed interval, the presence of basin-margin fault zones, and the presence of producing wells. Other factors evaluated were the middle Cenomanian sea-level fall and erosion that removed large portions of platform and platform-margin carbonate sediments in the Washita Group of central Louisiana. The production history of discovered reservoirs and well data within the AU were examined to estimate the number and size of undiscovered oil and gas reservoirs within the AU. Using the USGS National Oil and Gas Assessment resource assessment methodology, mean volumes of 40 million barrels of oil, 622 billion cubic feet of gas, and 14 million barrels of natural gas liquids are the estimated technically recoverable undiscovered resources for the Fredericksburg-Buda Carbonate Platform-Reef Gas and Oil AU.

Hawaii StreamStats; a web application for defining drainage-basin characteristics and estimating peak-streamflow statistics

USGS Publications Warehouse

Rosa, Sarah N.; Oki, Delwyn S.

2010-01-01

Reliable estimates of the magnitude and frequency of floods are necessary for the safe and efficient design of roads, bridges, water-conveyance structures, and flood-control projects and for the management of flood plains and flood-prone areas. StreamStats provides a simple, fast, and reproducible method to define drainage-basin characteristics and estimate the frequency and magnitude of peak discharges in Hawaii?s streams using recently developed regional regression equations. StreamStats allows the user to estimate the magnitude of floods for streams where data from stream-gaging stations do not exist. Existing estimates of the magnitude and frequency of peak discharges in Hawaii can be improved with continued operation of existing stream-gaging stations and installation of additional gaging stations for areas where limited stream-gaging data are available.

Meeting the challenges of on-host and off-host water balance in blood-feeding arthropods

PubMed Central

Benoit, Joshua B.; Denlinger, David L.

2010-01-01

In this review, we describe water balance requirements of blood-feeding arthropods, particularly contrasting dehydration tolerance during the unfed, off-host state and the challenges of excess water that accompany receipt of the bloodmeal. Most basic water balance characteristics during the off-host stage are applicable to other terrestrial arthropods, as well. A well-coordinated suite of responses enable arthropods to conserve water resources, enhance their desiccation tolerance, and increase their water supplies by employing a diverse array of molecular, structural and behavioral responses. Water loss rates during the off-host phase are particularly useful for generating a scheme to classify vectors according to their habitat requirements for water, thus providing a convenient tool with potential predictive power for defining suitable current and future vector habitats. Blood feeding elicits an entirely different set of challenges as the vector responds to overhydration by quickly increasing its rate of cuticular water loss and elevating the rate of diuresis to void excess water and condense the bloodmeal. Immature stages that feed on blood normally have a net increase in water content at the end of a blood-feeding cycle, but in adults the water content reverts to the prefeeding level when the cycle is completed. Common themes are evident in diverse arthropods that feed on blood, particularly the physiological mechanisms used to respond to the sudden influx of water as well as the mechanisms used to counter water shortfalls that are encountered during the nonfeeding, off-host state. PMID:20206630

De nouveaux éléments structuraux du complexe aquifère profond du bassin du Rharb (Maroc) : implications hydrogéologiques

NASA Astrophysics Data System (ADS)

Kili, Malika; El Mansouri, Bouabid; Chao, Jamal; Fora, Abderrahman Ait

2006-12-01

The Rharb basin is located in northwestern Morocco. It is a part of one of the most important hydrogeological basins of Morocco, and extends over some 4000 km 2. The nature of its Plio-Quaternary sedimentary fill and its structural and palaeoenvironmental contexts are reflected by great variations in aerial and temporal facies distribution. This distribution, in turn, is a direct cause of the observed complexity in the geometry of potentially water-bearing beds. In the present work, we present an image of potential new hydrogeological reservoirs and define new structures that partially explain their architecture. To cite this article: M. Kili et al., C. R. Geoscience 338 (2006).

Hybrid carrageenans: isolation, chemical structure, and gel properties.

PubMed

Hilliou, Loic

2014-01-01

Hybrid carrageenan is a special class of carrageenan with niche application in food industry. This polysaccharide is extracted from specific species of seaweeds belonging to the Gigartinales order. This chapter focuses on hybrid carrageenan showing the ability to form gels in water, which is known in the food industry as weak kappa or kappa-2 carrageenan. After introducing the general chemical structure defining hybrid carrageenan, the isolation of the polysaccharide will be discussed focusing on the interplay between seaweed species, extraction parameters, and the hybrid carrageenan chemistry. Then, the rheological experiments used to determine the small and large deformation behavior of gels will be detailed before reviewing the relationships between gel properties and hybrid carrageenan chemistry. © 2014 Elsevier Inc. All rights reserved.

Characterization of the Virtual Water Commodity Network of Major U.S. Cities

NASA Astrophysics Data System (ADS)

Garcia, S.; Ahams, I. C.; Ruddell, B. L.; Mejia, A.

2016-12-01

Cities, through their socioeconomic power and consumption patterns, drive an intricate web of commodity flows that gives rise to an underlying network of indirect transfers of energy and water. The virtual water content of a commodity represents the water embedded in its production. It can serve as a measure of city water consumption that, along with direct, metabolic consumption, exposes the dependence of cities on distant regions and the potential vulnerabilities of the network to shocks and stresses. Using the U.S. network of commodities flows, together with their associated virtual water content, we use network theory to analyze first-order and higher-order topological properties of virtual water flows for major U.S. cities, defined by their metropolitan boundaries. They are represented as nodes and weighted directed links, symbolizing the volume and direction of the virtual water flows associated with the transfer of agricultural, livestock and industrial commodities. We find that network properties, generally, vary across commodities and reveal complex structures such as the appearance of hubs like Chicago, Houston, and New Orleans for industrial commodities and the formation of communities (megaregions). Additionally, using scaling arguments, we find that increasing city size makes larger cities more water efficient and hydroeconomically productive than smaller ones. This work represents an initial step towards understanding the role played by cities in the U.S. commodity network and food-energy-water (FEW) nexus.

Synthesis of single-crystal-like nanoporous carbon membranes and their application in overall water splitting

PubMed Central

Wang, Hong; Min, Shixiong; Ma, Chun; Liu, Zhixiong; Zhang, Weiyi; Wang, Qiang; Li, Debao; Li, Yangyang; Turner, Stuart; Han, Yu; Zhu, Haibo; Abou-hamad, Edy; Hedhili, Mohamed Nejib; Pan, Jun; Yu, Weili; Huang, Kuo-Wei; Li, Lain-Jong; Yuan, Jiayin; Antonietti, Markus; Wu, Tom

2017-01-01

Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared with easy-to-make porous carbon powders that dominate the porous carbon research and applications in energy generation/conversion and environmental remediation, porous carbon membranes are synthetically more challenging though rather appealing from an application perspective due to their structural integrity, interconnectivity and purity. Here we report a simple bottom–up approach to fabricate large-size, freestanding and porous carbon membranes that feature an unusual single-crystal-like graphitic order and hierarchical pore architecture plus favourable nitrogen doping. When loaded with cobalt nanoparticles, such carbon membranes serve as high-performance carbon-based non-noble metal electrocatalyst for overall water splitting. PMID:28051082

Preparative isolation of oligomeric procyanidins from Hawthorn (Crataegus spp.).

PubMed

Zumdick, S; Petereit, F; Luftmann, H; Hensel, A

2009-04-01

The oligomeric procyanidins (OPC) from Hawthorn leaves and flowers (Crataegi folium cum flore) are considered to be in part responsible for the cardiotonic clinical activity of the herbal material. Effective methods for rapid isolation of these heterogenous oligomeric clusters with defined molecular weight as reference compounds are not published until now. Therefore the water soluble fraction of an acetone/water (7 + 3) extract of Hawthorn leaves and flowers was fractionated by a combination of MPLC on RP-18 material and preparative HPLC using a diol stationary phase. This procedure resulted in the effective isolation of procyanidins with a distinct degree of polymerization (DP) from dimers DP2 up to tridecamers DP13. Exact mass measurements with negative ESI-TOF/MS were employed to confirm the respective structures of the isolated procyanidins.

Leaf-to-branch scaling of C-gain in field-grown almond trees under different soil moisture regimes.

PubMed

Egea, Gregorio; González-Real, María M; Martin-Gorriz, Bernardo; Baille, Alain

2014-06-01

Branch/tree-level measurements of carbon (C)-acquisition provide an integration of the physical and biological processes driving the C gain of all individual leaves. Most research dealing with the interacting effects of high-irradiance environments and soil-induced water stress on the C-gain of fruit tree species has focused on leaf-level measurements. The C-gain of both sun-exposed leaves and branches of adult almond trees growing in a semi-arid climate was investigated to determine the respective costs of structural and biochemical/physiological protective mechanisms involved in the behaviour at branch scale. Measurements were performed on well-watered (fully irrigated, FI) and drought-stressed (deficit irrigated, DI) trees. Leaf-to-branch scaling for net CO2 assimilation was quantified by a global scaling factor (fg), defined as the product of two specific scaling factors: (i) a structural scaling factor (fs), determined under well-watered conditions, mainly involving leaf mutual shading; and (ii) a water stress scaling factor (fws,b) involving the limitations in C-acquisition due to soil water deficit. The contribution of structural mechanisms to limiting branch net C-gain was high (mean fs ∼0.33) and close to the projected-to-total leaf area ratio of almond branches (ε = 0.31), while the contribution of water stress mechanisms was moderate (mean fws,b ∼0.85), thus supplying an fg ranging between 0.25 and 0.33 with slightly higher values for FI trees with respect to DI trees. These results suggest that the almond tree (a drought-tolerant species) has acquired mechanisms of defensive strategy (survival) mainly based on a specific branch architectural design. This strategy allows the potential for C-gain to be preserved at branch scale under a large range of soil water deficits. In other words, almond tree branches exhibit an architecture that is suboptimal for C-acquisition under well-watered conditions, but remarkably efficient to counteract the impact of DI and drought events. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Water-dependent photonic bandgap in silica artificial opals.

PubMed

Gallego-Gómez, Francisco; Blanco, Alvaro; Canalejas-Tejero, Victor; López, Cefe

2011-07-04

Some characteristics of silica--based structures-like the photonic properties of artificial opals formed by silica spheres--can be greatly affected by the presence of adsorbed water. The reversible modification of the water content of an opal is investigated here by moderate heating (below 300 °C) and measuring in situ the changes in the photonic bandgap. Due to reversible removal of interstitial water, large blueshifts of 30 nm and a bandgap narrowing of 7% are observed. The latter is particularly surprising, because water desorption increases the refractive index contrast, which should lead instead to bandgap broadening. A quantitative explanation of this experiment is provided using a simple model for water distribution in the opal that assumes a nonclose-packed fcc structure. This model further predicts that, at room temperature, about 50% of the interstitial water forms necks between nearest-neighbor spheres, which are separated by 5% of their diameter. Upon heating, dehydration predominantly occurs at the sphere surfaces (in the opal voids), so that above 65 °C the remaining water resides exclusively in the necks. A near-close-packed fcc arrangement is only achieved above 200 °C. The high sensitivity to water changes exhibited by silica opals, even under gentle heating of few degrees, must be taken into account for practical applications. Remarkably, accurate control of the distance between spheres--from 16 to 1 nm--is obtained with temperature. In this study, novel use of the optical properties of the opal is made to infer quantitative information about water distribution within silica beads and dehydration phenomena from simple reflection spectra. Taking advantage of the well-defined opal morphology, this approach offers a simple tool for the straightforward investigation of generic adsorption-desorption phenomena, which might be extrapolated to many other fields involving capillary condensation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An empirical assessment of which inland floods can be managed.

PubMed

Mogollón, Beatriz; Frimpong, Emmanuel A; Hoegh, Andrew B; Angermeier, Paul L

2016-02-01

Riverine flooding is a significant global issue. Although it is well documented that the influence of landscape structure on floods decreases as flood size increases, studies that define a threshold flood-return period, above which landscape features such as topography, land cover and impoundments can curtail floods, are lacking. Further, the relative influences of natural versus built features on floods is poorly understood. Assumptions about the types of floods that can be managed have considerable implications for the cost-effectiveness of decisions to invest in transforming land cover (e.g., reforestation) and in constructing structures (e.g., storm-water ponds) to control floods. This study defines parameters of floods for which changes in landscape structure can have an impact. We compare nine flood-return periods across 31 watersheds with widely varying topography and land cover in the southeastern United States, using long-term hydrologic records (≥20 years). We also assess the effects of built flow-regulating features (best management practices and artificial water bodies) on selected flood metrics across urban watersheds. We show that landscape features affect magnitude and duration of only those floods with return periods ≤10 years, which suggests that larger floods cannot be managed effectively by manipulating landscape structure. Overall, urban watersheds exhibited larger (270 m(3)/s) but quicker (0.41 days) floods than non-urban watersheds (50 m(3)/s and 1.5 days). However, urban watersheds with more flow-regulating features had lower flood magnitudes (154 m(3)/s), but similar flood durations (0.55 days), compared to urban watersheds with fewer flow-regulating features (360 m(3)/s and 0.23 days). Our analysis provides insight into the magnitude, duration and count of floods that can be curtailed by landscape structure and its management. Our findings are relevant to other areas with similar climate, topography, and land use, and can help ensure that investments in flood management are made wisely after considering the limitations of landscape features to regulate floods. Copyright © 2015 Elsevier Ltd. All rights reserved.

A new concept for the environmental risk assessment of poorly water soluble compounds and its application to consumer products.

PubMed

Tolls, Johannes; Müller, Martin; Willing, Andreas; Steber, Josef

2009-07-01

Many consumer products contain lipophilic, poorly soluble ingredients representing large-volume substances whose aquatic toxicity cannot be adequately determined with standard methods for a number of reasons. In such cases, a recently developed approach can be used to define an aquatic exposure threshold of no concern (ETNCaq; i.e., a concentration below which no adverse affects on the environment are to be expected). A risk assessment can be performed by comparing the ETNCaq value with the aquatic exposure levels of poorly soluble substances. Accordingly, the aquatic exposure levels of substances with water solubility below the ETNCaq will not exceed the ecotoxicological no-effect concentration; therefore, their risk can be assessed as being negligible. The ETNCaq value relevant for substances with a narcotic mode of action is 1.9 microg/L. To apply the above risk assessment strategy, the solubility in water needs to be known. Most frequently, this parameter is estimated by means of quantitative structure/activity relationships based on the log octanol-water partition coefficient (log Kow). The predictive value of several calculation models for water solubility has been investigated by this method with the use of more recent experimental solubility data for lipophilic compounds. A linear regression model was shown to be the most suitable for providing correct predictions without underestimation of real water solubility. To define a log Kow threshold suitable for reliably predicting a water solubility of less than 1.9 microg/L, a confidence limit was established by statistical comparison of the experimental solubility data with their log Kow. It was found that a threshold of log Kow = 7 generally allows discrimination between substances with solubility greater than and less than 1.9 microg/L. Accordingly, organic substances with a baseline toxicity and log Kow > 7 do not require further testing to prove that they have low environmental risk. In applying this concept, the uncertainty of the prediction of water solubility can be accounted for. If the predicted solubility in water is to be below ETNCaq with a probability of 95%, the corresponding log Kow value is 8.

CSIR Contribution to Defining Adaptive Capacity in the Context of Environmental Change

DTIC Science & Technology

2016-01-31

of transboundary water cooperation in the Nile Basin, presentation at the Horn of Africa Water Security Workshop, jointly hosted by the USGS...Nortje and Marius Claassen CSIR PO Box 395 Pretoria 0001, South Africa Date: 31 January 2016 Defining Adaptive Capacity in the...supports CSIR and ERDC research in adaptation to water -related impacts of climate change. The grant supports a comparison of historic human responses to

Reflection of processes of non-equilibrium two-phase filtration in oil-saturated hierarchical medium in data of active wave geophysical monitoring

NASA Astrophysics Data System (ADS)

Hachay, Olga; Khachay, Andrey; Khachay, Oleg

2016-04-01

The processes of oil extraction from deposit are linked with the movement of multi-phase multi-component media, which are characterized by non-equilibrium and non-linear rheological features. The real behavior of layered systems is defined by the complexity of the rheology of moving fluids and the morphology structure of the porous medium, and also by the great variety of interactions between the fluid and the porous medium [Hasanov and Bulgakova, 2003]. It is necessary to take into account these features in order to informatively describe the filtration processes due to the non-linearity, non-equilibrium and heterogeneity that are features of real systems. In this way, new synergetic events can be revealed (namely, a loss of stability when oscillations occur, and the formation of ordered structures). This allows us to suggest new methods for the control and management of complicated natural systems that are constructed on account of these phenomena. Thus the layered system, from which it is necessary to extract the oil, is a complicated dynamical hierarchical system. A comparison is provided of non-equilibrium effects of the influence of independent hydrodynamic and electromagnetic induction on an oil layer and the medium which it surrounds. It is known that by drainage and steeping the hysteresis effect on curves of the relative phase permeability in dependence on the porous medium's water saturation in some cycles of influence (drainage-steep-drainage) is observed. Using the earlier developed 3D method of induction electromagnetic frequency geometric monitoring, we showed the possibility of defining the physical and structural features of a hierarchical oil layer structure and estimating the water saturation from crack inclusions. This effect allows managing the process of drainage and steeping the oil out of the layer by water displacement. An algorithm was constructed for 2D modeling of sound diffraction on a porous fluid-saturated intrusion of a hierarchical structure located in layer number J of an N-layered elastic medium. The algorithm developed for modeling, and the method of mapping and monitoring of heterogenic highly complicated two-phase medium can be used for managing viscous oil extraction in mining conditions and light oil in sub-horizontal boreholes. The demand for effective economic parameters and fuller extraction of oil and gas from deposits dictates the necessity of developing new geotechnology based on the fundamental achievements in the area of geophysics and geomechanics

Aqueous TMAO solutions as seen by theoretical THz spectroscopy: hydrophilic versus hydrophobic water.

PubMed

Imoto, Sho; Forbert, Harald; Marx, Dominik

2018-02-28

Solvation of trimethylamine-N-oxide (TMAO) by water is of great fundamental interest because this small molecule has both strongly hydrophilic and large hydrophobic groups at its opposite ends and, furthermore, stabilizes proteins against temperature and pressure denaturation. Since hydrophilic and hydrophobic groups affect the structural dynamics of the respective solvation water molecules in vastly different ways, we dissect their distinct influences on the THz spectrum of TMAO(aq) by using ab initio molecular dynamics simulations. In particular, we demonstrate that exclusively electronic polarization and charge transfer effects, being absent in the usual fixed-charge biomolecular force fields, are responsible for the significant enhancement of the effective molecular dipole moment of hydrophilic solvation water. This, in turn, leads to pronounced solute-solvent couplings and thus to specific THz modes that involve well-defined H-bond bending and stretching motion being characteristic to hydrophilic solvation. The THz response of individual H-bonded pairs of water molecules involving hydrophobic solvation water, in stark contrast, is nearly indistinguishable from such pairs in bulk water. Transcending the specific case, THz spectroscopy is suggested to be an ideal experimental approach to unravel the controversial piezolytic properties of TMAO including its counteracting effect on pressure-induced denaturation of proteins.

Water-level data for the Albuquerque Basin and adjacent areas, central New Mexico, period of record through September 30, 2009

USGS Publications Warehouse

Beman, Joseph E.; Torres, Leeanna T.

2010-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25 to 40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompass the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin were obtained solely from groundwater resources until December 2008, when surface water from the Rio Grande began being treated and integrated into the system. An increase of about 20 percent in the population from 1990 to 2000 also resulted in an increased demand for water. A network of wells was established to monitor changes in groundwater levels throughout the basin from April 1982 through September 1983. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly in 1983. Currently (2009), the network consists of 131 wells and piezometers. This report presents water-level data collected by U.S. Geological Survey personnel at 123 sites through water year 2009. In addition, data from four wells (Sites 140, 147, 148, and 149) owned, maintained, and measured by Sandia National Laboratories and three from Kirtland Air Force Base (Sites 119, 125, and 126) are presented in this report.

Water vapor diffusion membranes

NASA Technical Reports Server (NTRS)

Holland, F. F., Jr.; Smith, J. K.

1974-01-01

The program is reported, which was designed to define the membrane technology of the vapor diffusion water recovery process and to test this technology using commercially available or experimental membranes. One membrane was selected, on the basis of the defined technology, and was subjected to a 30-day demonstration trial.

Using a System Model for Irrigation Management

NASA Astrophysics Data System (ADS)

de Souza, Leonardo; de Miranda, Eu; Sánchez-Román, Rodrigo; Orellana-González, Alba

2014-05-01

When using Systems Thinking variables involved in any process have a dynamic behavior, according to nonstatic relationships with the environment. In this paper it is presented a system dynamics model developed to be used as an irrigation management tool. The model involves several parameters related to irrigation such as: soil characteristics, climate data and culture's physiological parameters. The water availability for plants in the soil is defined as a stock in the model, and this soil water content will define the right moment to irrigate and the water depth required to be applied. The crop water consumption will reduce soil water content; it is defined by the potential evapotranspiration (ET) that acts as an outflow from the stock (soil water content). ET can be estimated by three methods: a) FAO Penman-Monteith (ETPM), b) Hargreaves-Samani (ETHS) method, based on air temperature data and c) Class A pan (ETTCA) method. To validate the model were used data from the States of Ceará and Minas Gerais, Brazil, and the culture was bean. Keyword: System Dynamics, soil moisture content, agricultural water balance, irrigation scheduling.

Water-level data for the Albuquerque Basin and adjacent areas, central New Mexico, period of record through September 30, 2010

USGS Publications Warehouse

Beman, Joseph E.

2011-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25-40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompasses the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin were obtained solely from groundwater resources until December 2008, when surface water from the Rio Grande began being treated and integrated into the system. An increase of about 20 percent in the basin human population from 1990 to 2000 and about a 22 percent increase from 2000 to 2010 also resulted in an increased demand for water. A network of wells was established by the U.S. Geological Survey in cooperation with the City of Albuquerque to monitor changes in groundwater levels throughout the basin from April 1982 through September 1983. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly in 1983. Currently (2010), the network consists of 124 wells and piezometers (a piezometer is a small-diameter subwell usually nested within a larger well). To better help the Albuquerque Bernalillo County Water Utility Authority manage water use, this report presents water-level data collected by U.S. Geological Survey personnel at those 124 sites through water year 2010.

Ground-water protection, low-level waste, and below regulatory concern: What`s the connection?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gruhlke, J.M.; Galpin, F.L.

1991-12-31

The Environmental Protection Agency (EPA) has a responsibility to protect ground water and drinking water under a wide variety of statutes. Each statute establishes different but specific requirements for EPA and applies to diverse environmental contaminants. Radionuclides are but one of the many contaminants subject to this regulatory matrix. Low-level radioactive waste (LLW) and below regulatory concern (BRC) are but two of many activities falling into this regulatory structure. The nation`s ground water serves as a major source of drinking water, supports sensitive ecosystems, and supplies the needs of agriculture and industry. Ground water can prove enormously expensive to cleanmore » up. EPA policy for protecting ground water has evolved considerably over the last ten years. The overall goal is to prevent adverse effects to human health, both now and in the future, and to protect the integrity of the nation`s ground-water resources. The Agency uses the Maximum Contaminant Levels (MCLs) under the Safe Drinking Water Act as reference points for protection in both prevention and remediation activities. What`s the connection? Both low-level waste management and disposal activities and the implementation of below regulatory concern related to low-level waste disposal have the potential for contaminating ground water. EPA is proposing to use the MCLs as reference points for low-level waste disposal and BRC disposal in order to define limits to the environmental contamination of ground water that is, or may be, used for drinking water.« less

Microwave superheated water and dilute alkali extraction of brewers' spent grain arabinoxylans and arabinoxylo-oligosaccharides.

PubMed

Coelho, Elisabete; Rocha, M Angélica M; Saraiva, Jorge A; Coimbra, Manuel A

2014-01-01

Microwave superheated water extractions (MWE) were performed to evaluate the feasibility of this technology for quantitative recovery of the arabinoxylans (AX) or arabinoxylo-oligosaccharides (AXOS) from brewers' spent grain (BSG). The AX+AXOS yield increased with the increase of the temperature in the range from 140 to 210 °C during 2 min. The higher temperatures promoted depolymerisation, debranching, and deesterification of the polysaccharides, with formation of brown products. The conditions that promote a compromise between the yield and the structure obtained, minimizing the thermal degradation of the fractions extracted by MWE are the following: (1) 140 °C, to remove the residual starch mixed with β-glucans; (2) Suspension of the residue left in water and treated at 180 °C; (3) suspension of the residue in 0.1 M KOH and treated at 180 °C. Using this sequential procedure, it was possible to extract 62% of BSG AX+AXOS, presenting degrees of polymerization ranging between 7 and 24 xylose residues, and a degree of phenolic acids esterification between 5 and 21%. The structural variability obtained by MWE allows defining specific types of compounds for different applications and uses depending on the extraction conditions used. Copyright © 2013 Elsevier Ltd. All rights reserved.

Thermoreversible Morphology and Conductivity of a Conjugated Polymer Network Embedded in Block Copolymer Self-Assemblies

DOE PAGES

Han, Youngkyu; Carrillo, Jan-Michael Y.; Zhang, Zhe; ...

2016-07-19

Self-assembly of block copolymers provides numerous opportunities to create functional materials, utilizing self-assembled microdomains with a variety of morphology and periodic architectures as templates for functional nanofillers. Here new progress is reported toward the fabrication of thermally responsive and electrically conductive polymeric self-assemblies made from a water-soluble poly(thiophene) derivative with short poly(ethylene oxide) side chains and Pluronic L62 block copolymer solution in water. The structural and electrical properties of conjugated polymer-embedded self-assembled architectures are investigated by combining small-angle neutron and X-ray scattering, coarse-grained molecular dynamics simulations, and impedance spectroscopy. The L62 solution template organizes the conjugated polymers by stably incorporatingmore » them into the hydrophilic domains thus inhibiting aggregation. The changing morphology of L62 during the micellarto- lamellar phase transition defines the embedded conjugated polymer network. As a result, the conductivity is strongly coupled to the structural change of the templating L62 phase and exhibits thermally reversible behavior with no signs of quenching of the conductivity at high temperature. In conclusion, this study shows promise for enabling more flexibility in processing and utilizing water-soluble conjugated polymers in aqueous solutions for self-assembly based fabrication of stimuli-responsive nanostructures and sensory materials.« less

Thermoreversible Morphology and Conductivity of a Conjugated Polymer Network Embedded in Block Copolymer Self-Assemblies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Youngkyu; Carrillo, Jan-Michael Y.; Zhang, Zhe

Self-assembly of block copolymers provides numerous opportunities to create functional materials, utilizing self-assembled microdomains with a variety of morphology and periodic architectures as templates for functional nanofillers. Here new progress is reported toward the fabrication of thermally responsive and electrically conductive polymeric self-assemblies made from a water-soluble poly(thiophene) derivative with short poly(ethylene oxide) side chains and Pluronic L62 block copolymer solution in water. The structural and electrical properties of conjugated polymer-embedded self-assembled architectures are investigated by combining small-angle neutron and X-ray scattering, coarse-grained molecular dynamics simulations, and impedance spectroscopy. The L62 solution template organizes the conjugated polymers by stably incorporatingmore » them into the hydrophilic domains thus inhibiting aggregation. The changing morphology of L62 during the micellarto- lamellar phase transition defines the embedded conjugated polymer network. As a result, the conductivity is strongly coupled to the structural change of the templating L62 phase and exhibits thermally reversible behavior with no signs of quenching of the conductivity at high temperature. In conclusion, this study shows promise for enabling more flexibility in processing and utilizing water-soluble conjugated polymers in aqueous solutions for self-assembly based fabrication of stimuli-responsive nanostructures and sensory materials.« less

Cultivation of a native alga for biomass and biofuel accumulation in coal bed methane production water

USGS Publications Warehouse

Hodgskiss, Logan H.; Nagy, Justin; Barnhart, Elliott P.; Cunningham, Alfred B.; Fields, Matthew W.

2016-01-01

Coal bed methane (CBM) production has resulted in thousands of ponds in the Powder River Basin of low-quality water in a water-challenged region. A green alga isolate, PW95, was isolated from a CBM production pond, and analysis of a partial ribosomal gene sequence indicated the isolate belongs to the Chlorococcaceae family. Different combinations of macro- and micronutrients were evaluated for PW95 growth in CBM water compared to a defined medium. A small level of growth was observed in unamended CBM water (0.15 g/l), and biomass increased (2-fold) in amended CBM water or defined growth medium. The highest growth rate was observed in CBM water amended with both N and P, and the unamended CBM water displayed the lowest growth rate. The highest lipid content (27%) was observed in CBM water with nitrate, and a significant level of lipid accumulation was not observed in the defined growth medium. Growth analysis indicated that nitrate deprivation coincided with lipid accumulation in CBM production water, and lipid accumulation did not increase with additional phosphorus limitation. The presented results show that CBM production wastewater can be minimally amended and used for the cultivation of a native, lipid-accumulating alga.

Hydrogeologic Framework in Three Drainage Basins in the New Jersey Pinelands, 2004-06

USGS Publications Warehouse

Walker, Richard L.; Reilly, Pamela A.; Watson, Kara M.

2008-01-01

The U.S. Geological Survey, in cooperation with the New Jersey Pinelands Commission, began a multi-phase hydrologic investigation in 2004 to characterize the hydrologic system supporting the aquatic and wetland communities of the New Jersey Pinelands area (Pinelands). The Pinelands is an ecologically diverse area in the southern New Jersey Coastal Plain underlain by the Kirkwood-Cohansey aquifer system. The demand for ground water from this aquifer system is increasing as local development increases. To assess the effects of ground-water withdrawals on Pinelands stream and wetland water levels, three drainage basins were selected for detailed hydrologic assessments, including the Albertson Brook, McDonalds Branch and the Morses Mill Stream basins. Study areas were defined surrounding the three drainage basins to provide sub-regional hydrogeologic data for the ground-water flow modeling phase of this study. In the first phase of the hydrologic assessments, a database of hydrogeologic information and a hydrogeologic framework model for each of the three study areas were produced. These framework models, which illustrate typical hydrogeologic variations among different geographic subregions of the Pinelands, are the structural foundation for predictive ground-water flow models to be used in assessing the hydrologic effects of increased ground-water withdrawals. During 2004-05, a hydrogeologic database was compiled using existing and new geophysical and lithologic data including suites of geophysical logs collected at 7 locations during the drilling of 21 wells and one deep boring within the three study areas. In addition, 27 miles of ground-penetrating radar (GPR) surface geophysical data were collected and analyzed to determine the depth and extent of shallow clays in the general vicinity of the streams. On the basis of these data, the Kirkwood-Cohansey aquifer system was divided into 7 layers to construct a hydrogeologic framework model for each study area. These layers are defined by their predominant sediment textures as aquifers and leaky confining layers. The confining layer at the base of the Kirkwood-Cohansey aquifer system, depending on location, is defined as one of two distinct clays of the Kirkwood Formation. The framework models are described using hydrogeologic sections, maps of structure tops of layers, and thickness maps showing variations of sediment textures of the various model layers. The three framework models are similar in structure but unique to their respective study areas. The hydraulic conductivity of the Kirkwood-Cohansey aquifer system in the vicinity of the three study areas was determined from analysis of 16 slug tests and 136 well-performance tests. The mean values for hydraulic conductivity in the three study areas ranged from about 84 feet per day to 130 feet per day. With the exception of the basal confining layers, the variable and discontinuous nature of clay layers within the Kirkwood-Cohansey aquifer system was confirmed by the geophysical and lithologic records. Leaky confining layers and discontinuous clays are generally more common in the upper part of the aquifer system. Although the Kirkwood-Cohansey aquifer system generally has been considered a water-table aquifer in most areas, localized clays in the aquifer layers and the effectiveness of the leaky confining layers may act to impede the flow of ground water in varying amounts depending on the degree of confinement and the location, duration, and magnitude of the hydraulic stresses applied. Considerable variability exists in the different sediment textures. The extent to which this hydrogeologic variability can be characterized is constrained by the extent of the available data. Thus, the hydraulic properties of the modeled layers were estimated on the basis of available horizontal hydraulic conductivity data and the range of sediment textures estimated from geophysical and lithologic data.

A self-defining hierarchical data system

NASA Technical Reports Server (NTRS)

Bailey, J.

1992-01-01

The Self-Defining Data System (SDS) is a system which allows the creation of self-defining hierarchical data structures in a form which allows the data to be moved between different machine architectures. Because the structures are self-defining they can be used for communication between independent modules in a distributed system. Unlike disk-based hierarchical data systems such as Starlink's HDS, SDS works entirely in memory and is very fast. Data structures are created and manipulated as internal dynamic structures in memory managed by SDS itself. A structure may then be exported into a caller supplied memory buffer in a defined external format. This structure can be written as a file or sent as a message to another machine. It remains static in structure until it is reimported into SDS. SDS is written in portable C and has been run on a number of different machine architectures. Structures are portable between machines with SDS looking after conversion of byte order, floating point format, and alignment. A Fortran callable version is also available for some machines.

Unravelling the structural control of mississippi valley-type deposits and prospects in carbonate sequences of the Western Canada Sedimentary Basin

USGS Publications Warehouse

Pana, D.

2006-01-01

Re-examination of selected MVT outcrops and cores in the Interior Plains and Rocky Moun-tains of Alberta, corroborated with previous paragenetic, isotopic and structural data, suggests Laramide structural channelling of dolomitizing and mineralizing fluids into strained carbonate rocks. At Pine Point, extensional faults underlying the trends of MVT ore bodies and brittle faults overprinting the Great Slave Lake Shear Zone define apinnate fault geometry and appear to be kinematically linked. Chemical and isotopic characteristics of MVT parental fluids are consistent with seawater and brine convection within fault-confined verticalaquifers, strong water-basement rock interaction, metalleaching from the basement, and focused release of hydrothermal fluids within linear zones of strained carbonate caprocks. Zones of recurrent strain in the basement and a cap of carbonate strata constitute the critical criteria for MVTexploration target selection in the WCSB.

Fluorescent sensing of cocaine based on a structure switching aptamer, gold nanoparticles and graphene oxide.

PubMed

Shi, Yan; Dai, Haichao; Sun, Yujing; Hu, Jingting; Ni, Pengjuan; Li, Zhuang

2013-12-07

This study demonstrates a cocaine sensing method employing graphene oxide (GO), gold nanoparticles and a structure switching aptamer, which can fold into a three-way junction in the presence of cocaine. On the observation of gold nanoparticles (Au NPs) induced graphene oxide fluorescence quenching, a structure switching aptamer of cocaine was introduced as the linker between the two parts. Firstly, two fragments of a cocaine aptamer were immobilized covalently onto GO and Au NPs, respectively. Then when the three-way junction formed, the Au NPs were drawn near to the GO surface and induced a fluorescence intensity decrease. The limit of detection was 0.1 μM for cocaine in purified water, and well defined results were also obtained in biological fluids and the specificity experiment, which expands the feasibility of the as-prepared sensor for practical applications.

33 CFR 137.10 - How are terms used in this part defined?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 2 2014-07-01 2014-07-01 false How are terms used in this part defined? 137.10 Section 137.10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE POLLUTION FINANCIAL RESPONSIBILITY AND COMPENSATION OIL SPILL LIABILITY...

33 CFR 137.10 - How are terms used in this part defined?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 2 2011-07-01 2011-07-01 false How are terms used in this part defined? 137.10 Section 137.10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE POLLUTION FINANCIAL RESPONSIBILITY AND COMPENSATION OIL SPILL LIABILITY...

33 CFR 137.10 - How are terms used in this part defined?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 2 2013-07-01 2013-07-01 false How are terms used in this part defined? 137.10 Section 137.10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE POLLUTION FINANCIAL RESPONSIBILITY AND COMPENSATION OIL SPILL LIABILITY...

33 CFR 137.10 - How are terms used in this part defined?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 2 2012-07-01 2012-07-01 false How are terms used in this part defined? 137.10 Section 137.10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE POLLUTION FINANCIAL RESPONSIBILITY AND COMPENSATION OIL SPILL LIABILITY...

33 CFR 137.10 - How are terms used in this part defined?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false How are terms used in this part defined? 137.10 Section 137.10 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE POLLUTION FINANCIAL RESPONSIBILITY AND COMPENSATION OIL SPILL LIABILITY...

Electron spin-echo envelope modulation (ESEEM) reveals water and phosphate interactions with the KcsA potassium channel.

PubMed

Cieslak, John A; Focia, Pamela J; Gross, Adrian

2010-02-23

Electron spin-echo envelope modulation (ESEEM) spectroscopy is a well-established technique for the study of naturally occurring paramagnetic metal centers. The technique has been used to study copper complexes, hemes, enzyme mechanisms, micellar water content, and water permeation profiles in membranes, among other applications. In the present study, we combine ESEEM spectroscopy with site-directed spin labeling (SDSL) and X-ray crystallography in order to evaluate the technique's potential as a structural tool to describe the native environment of membrane proteins. Using the KcsA potassium channel as a model system, we demonstrate that deuterium ESEEM can detect water permeation along the lipid-exposed surface of the KcsA outer helix. We further demonstrate that (31)P ESEEM is able to identify channel residues that interact with the phosphate headgroup of the lipid bilayer. In combination with X-ray crystallography, the (31)P data may be used to define the phosphate interaction surface of the protein. The results presented here establish ESEEM as a highly informative technique for SDSL studies of membrane proteins.

A molecular modeling approach defines a new group of Nodulin 26-like aquaporins in plants.

PubMed

Rougé, Pierre; Barre, Annick

2008-02-29

The three-dimensional models built for the Nod26-like aquaporins all exhibit the typical alpha-helical fold of other aquaporins containing the two ar/R and NPA constriction filters along the central water channel. Besides these structural homologies, they readily differ with respect to the amino acid residues forming the ar/R selective filter. According to these discrepancies in both the hydrophilicity and pore size of the ar/R filter, Nod26-like aquaporins can be distributed in three subgroups corresponding to NIP-1, NIP-II and a third subgroup of Nod26-like aquaporins exhibiting a highly hydrophilic and widely open filter. However, all Nod26-like aquaporins display a bipartite distribution of electrostatic charges along the water channel with an electropositive extracellular vestibular portion followed by an electronegative cytosolic vestibular portion. The specific transport of water, non-ionic solutes (glycerol, urea, ammoniac), ions (NH4+) and gas (NH(3)) across the Nod26-like obviously depends on the electrostatic and conformational properties of their central water channel.

Turning the volume down on heavy metals using tuned diatomite. A review of diatomite and modified diatomite for the extraction of heavy metals from water.

PubMed

Danil de Namor, Angela F; El Gamouz, Abdelaziz; Frangie, Sofia; Martinez, Vanina; Valiente, Liliana; Webb, Oliver A

2012-11-30

Contamination of water by heavy metals is a global problem, to which an inexpensive and simple solution is required. Within this context the unique properties of diatomite and its abundance in many regions of the world have led to the current widespread interest in this material for water purification purposes. Defined sections on articles published on the use of raw and modified diatomite for the removal of heavy metal pollutants from water are critically reviewed. The capability of the materials as extracting agents for individual species and mixtures of heavy metals are considered in terms of the kinetics, the thermodynamics and the recyclability for both, the pollutant and the extracting material. The concept of 'selectivity' for the enrichment of naturally occurring materials such as diatomite through the introduction of suitable functionalities in their structure to target a given pollutant is emphasised. Suggestions for further research in this area are given. Copyright © 2012 Elsevier B.V. All rights reserved.

A molecular modeling approach defines a new group of Nodulin 26-like aquaporins in plants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rouge, Pierre; Barre, Annick

2008-02-29

The three-dimensional models built for the Nod26-like aquaporins all exhibit the typical {alpha}-helical fold of other aquaporins containing the two ar/R and NPA constriction filters along the central water channel. Besides these structural homologies, they readily differ with respect to the amino acid residues forming the ar/R selective filter. According to these discrepancies in both the hydrophilicity and pore size of the ar/R filter, Nod26-like aquaporins can be distributed in three subgroups corresponding to NIP-1, NIP-II and a third subgroup of Nod26-like aquaporins exhibiting a highly hydrophilic and widely open filter. However, all Nod26-like aquaporins display a bipartite distribution ofmore » electrostatic charges along the water channel with an electropositive extracellular vestibular portion followed by an electronegative cytosolic vestibular portion. The specific transport of water, non-ionic solutes (glycerol, urea, ammoniac), ions (NH{sub 4}{sup +}) and gas (NH{sub 3}) across the Nod26-like obviously depends on the electrostatic and conformational properties of their central water channel.« less

Crystallization using reverse micelles and water-in-oil microemulsion systems: the highly selective tool for the purification of organic compounds from complex mixtures.

PubMed

Kljajic, Alen; Bester-Rogac, Marija; Klobcar, Andrej; Zupet, Rok; Pejovnik, Stane

2013-02-01

The active pharmaceutical ingredient orlistat is usually manufactured using a semi-synthetic procedure, producing crude product and complex mixtures of highly related impurities with minimal side-chain structure variability. It is therefore crucial for the overall success of industrial/pharmaceutical application to develop an effective purification process. In this communication, we present the newly developed water-in-oil reversed micelles and microemulsion system-based crystallization process. Physiochemical properties of the presented crystallization media were varied through surfactants and water composition, and the impact on efficiency was measured through final variation of these two parameters. Using precisely defined properties of the dispersed water phase in crystallization media, a highly efficient separation process in terms of selectivity and yield was developed. Small-angle X-ray scattering, high-performance liquid chromatography, mass spectrometry, and scanning electron microscopy were used to monitor and analyze the separation processes and orlistat products obtained. Typical process characteristics, especially selectivity and yield in regard to reference examples, were compared and discussed. Copyright © 2012 Wiley Periodicals, Inc.

Solvent extraction: the coordination chemistry behind extractive metallurgy.

PubMed

Wilson, A Matthew; Bailey, Phillip J; Tasker, Peter A; Turkington, Jennifer R; Grant, Richard A; Love, Jason B

2014-01-07

The modes of action of the commercial solvent extractants used in extractive hydrometallurgy are classified according to whether the recovery process involves the transport of metal cations, M(n+), metalate anions, MXx(n-), or metal salts, MXx into a water-immiscible solvent. Well-established principles of coordination chemistry provide an explanation for the remarkable strengths and selectivities shown by most of these extractants. Reagents which achieve high selectivity when transporting metal cations or metal salts into a water-immiscible solvent usually operate in the inner coordination sphere of the metal and provide donor atom types or dispositions which favour the formation of particularly stable neutral complexes that have high solubility in the hydrocarbons commonly used in recovery processes. In the extraction of metalates, the structures of the neutral assemblies formed in the water-immiscible phase are usually not well defined and the cationic reagents can be assumed to operate in the outer coordination spheres. The formation of secondary bonds in the outer sphere using, for example, electrostatic or H-bonding interactions are favoured by the low polarity of the water-immiscible solvents.

X-ray structures define human P2X3 receptor gating cycle and antagonist action

PubMed Central

Mansoor, Steven E.; Lü, Wei; Oosterheert, Wout; Shekhar, Mrinal; Tajkhorshid, Emad; Gouaux, Eric

2016-01-01

Summary P2X receptors are trimeric, non-selective cation channels activated by ATP that play important roles in cardiovascular, neuronal and immune systems. Despite their central function in human physiology and as potential targets of therapeutic agents, there are no structures of human P2X receptors. Mechanisms of receptor desensitization and ion permeation, principles of antagonism, and complete structure of the pore-forming transmembrane domains remain unclear. We report x-ray crystal structures of human P2X3 receptor in apo/resting, agonist-bound/open-pore, agonist-bound/desensitized and antagonist-bound closed states. The open state structure harbors an intracellular motif we term the “cytoplasmic cap”, that stabilizes the open state of the ion channel pore and creates lateral, phospholipid-lined cytoplasmic fenestrations for water and ion egress. Competitive antagonists TNP-ATP and A-317491 stabilize the apo/resting state and reveal the interactions responsible for competitive inhibition. These structures illuminate the conformational rearrangements underpinning P2X receptor gating and provide a foundation for development of new pharmacologic agents. PMID:27626375

The impact of cattle access on ecological water quality in streams: Examples from agricultural catchments within Ireland.

PubMed

Conroy, E; Turner, J N; Rymszewicz, A; O'Sullivan, J J; Bruen, M; Lawler, D; Lally, H; Kelly-Quinn, M

2016-03-15

Unrestricted cattle access to rivers and streams represent a potentially significant localised pressure on freshwater systems. However there is no consensus in the literature on the occurrence and extent of impact and limited research has examined the effects on aquatic biota in the humid temperate environment examined in the present study. Furthermore, this is one of the first times that research consider the potential for cattle access impacts in streams of varying water quality in Northern Europe. We investigated the effects of cattle access on macroinvertebrate communities and deposited fine sediment levels, in four rivers of high/good and four rivers of moderate water quality status which drain, low gradient, calcareous grassland catchments in Ireland. We assessed the temporal variability in macroinvertebrates communities across two seasons, spring and autumn. Site specific impacts were evident which appeared to be influenced by water quality status and season. All four high/good water status rivers revealed significant downstream changes in community structure and at least two univariate metrics (total richness and EPT richness together with taxon, E and EPT abundance). Two of the four moderate water status rivers showed significant changes in community structure, abundance and richness metrics and functional feeding groups driven in the main by downstream increases in collectors/gatherers, shredders and burrowing taxa. These two moderate water status rivers had high or prolonged livestock activity. In view of these findings, the potential for some of these sites to achieve at least high/good water quality status, as set out in the EU Water Framework Directive, may be compromised. The results presented highlight the need for additional research to further define the site specific factors and livestock management practices, under different discharge conditions, that increase the risk of impact on aquatic ecology due to these cattle-river interactions. Copyright © 2015 Elsevier B.V. All rights reserved.

Theoretical study of negatively charged Fe(-)-(H2O)(n ≤ 6) clusters.

PubMed

Castro, Miguel

2012-06-14

Interactions of a singly negatively charged iron atom with water molecules, Fe(-)-(H(2)O)(n≤6), in the gas phase were studied by means of density functional theory. All-electron calculations were performed using the B3LYP functional and the 6-311++G(2d,2p) basis set for the Fe, O, and H atoms. In the lowest total energy states of Fe(-)-(H(2)O)(n), the metal-hydrogen bonding is stronger than the metal-oxygen one, producing low-symmetry structures because the water molecules are directly attached to the metal by basically one of their hydrogen atoms, whereas the other ones are involved in a network of hydrogen bonds, which together with the Fe(δ-)-H(δ+) bonding accounts for the nascent hydration of the Fe(-) anion. For Fe(-)-(H(2)O)(3≤n), three-, four-, five-, and six-membered rings of water molecules are bonded to the metal, which is located at the surface of the cluster in such a way as to reduce the repulsion with the oxygen atoms. Nevertheless, internal isomers appear also, lying less than 3 or 5 kcal/mol for n = 2-3 or n = 4-6. These results are in contrast with those of classical TM(+)-(H(2)O)(n) complexes, where the direct TM(+)-O bonding usually produces high symmetry structures with the metal defining the center of the complex. They show also that the Fe(-) anions, as the TM(+) ions, have great capability for the adsorption of water molecules, forming Fe(-)-(H(2)O)(n) structures stabilized by Fe(δ-)-H(δ+) and H-bond interactions.

Fine-scale Horizontal Structure of Arctic Mixed-Phase Clouds.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rambukkange,M.; Verlinde, J.; Elorante, E.

2006-07-10

Recent in situ observations in stratiform clouds suggest that mixed phase regimes, here defined as limited cloud volumes containing both liquid and solid water, are constrained to narrow layers (order 100 m) separating all-liquid and fully glaciated volumes (Hallett and Viddaurre, 2005). The Department of Energy Atmospheric Radiation Measurement Program's (DOE-ARM, Ackerman and Stokes, 2003) North Slope of Alaska (NSA) ARM Climate Research Facility (ACRF) recently started collecting routine measurement of radar Doppler velocity power spectra from the Millimeter Cloud Radar (MMCR). Shupe et al. (2004) showed that Doppler spectra has potential to separate the contributions to the total reflectivitymore » of the liquid and solid water in the radar volume, and thus to investigate further Hallett and Viddaurre's findings. The Mixed-Phase Arctic Cloud Experiment (MPACE) was conducted along the NSA to investigate the properties of Arctic mixed phase clouds (Verlinde et al., 2006). We present surface based remote sensing data from MPACE to discuss the fine-scale structure of the mixed-phase clouds observed during this experiment.« less

Conceptual Model Evaluation using Advanced Parameter Estimation Techniques with Heat as a Tracer

NASA Astrophysics Data System (ADS)

Naranjo, R. C.; Morway, E. D.; Healy, R. W.

2016-12-01

Temperature measurements made at multiple depths beneath the sediment-water interface has proven useful for estimating seepage rates from surface-water channels and corresponding subsurface flow direction. Commonly, parsimonious zonal representations of the subsurface structure are defined a priori by interpretation of temperature envelopes, slug tests or analysis of soil cores. However, combining multiple observations into a single zone may limit the inverse model solution and does not take full advantage of the information content within the measured data. Further, simulating the correct thermal gradient, flow paths, and transient behavior of solutes may be biased by inadequacies in the spatial description of subsurface hydraulic properties. The use of pilot points in PEST offers a more sophisticated approach to estimate the structure of subsurface heterogeneity. This presentation evaluates seepage estimation in a cross-sectional model of a trapezoidal canal with intermittent flow representing four typical sedimentary environments. The recent improvements in heat as a tracer measurement techniques (i.e. multi-depth temperature probe) along with use of modern calibration techniques (i.e., pilot points) provides opportunities for improved calibration of flow models, and, subsequently, improved model predictions.

Characterization of Chitin and Chitosan Molecular Structure in Aqueous Solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franca, Eduardo D.; Lins, Roberto D.; Freitas, Luiz C.

Molecular dynamics simulations have been used to characterize the structure of chitin and chitosan fibers in aqueous solutions. Chitin fibers, whether isolated or in the form of a β-chitin nanoparticle, adopt the so-called 2-fold helix with Φ and φ values similar to its crystalline state. In solution, the intramolecular hydrogen bond HO3(n)•••O5(n+1) responsible for the 2-fold helical motif is stabilized by hydrogen bonds with water molecules in a well-defined orientation. On the other hand, chitosan can adopt five distinct helical motifs and its conformational equilibrium is highly dependent on pH. The hydrogen bond pattern and solvation around the O3 atommore » of insoluble chitosan (basic pH) are nearly identical to these quantities in chitin. Our findings suggest that the solubility and conformation of these polysaccharides are related to the stability of the intrachain HO3(n)•••O5(n+1) hydrogen bond, which is affect by the water exchange around the O3-HO3 hydroxyl group.« less

Enhancement of visible-light photoactivity by polypropylene coated plasmonic Au/TiO2 for dye degradation in water solution

NASA Astrophysics Data System (ADS)

D'Amato, C. A.; Giovannetti, R.; Zannotti, M.; Rommozzi, E.; Ferraro, S.; Seghetti, C.; Minicucci, M.; Gunnella, R.; Di Cicco, A.

2018-05-01

A new approach to obtain a heterogeneous photocatalytic material with gold nanoparticles and TiO2 semiconductor was performed exploiting the reducing ability of acetylacetone, a chemical present in the TiO2 paste formulation. Gold/TiO2 heterogeneous catalyst supported on polypropylene [PP@Au-TiO2]A was prepared; composition, structure and morphology of this new material were defined by using UV-Vis spectroscopy, Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), X-ray diffraction (XRD), X-ray Fluorescence (XRF), Raman Spectroscopy, Photoluminescence and Diffuse Reflectance Spectroscopy. The new material was tested in the photocatalytic degradation of Alizarin Red S in water solution, as target pollutant, under visible light and correlated with structural and spectroscopic characterizations. [PP@Au-TiO2]A showed higher photocatalytic activity respect to pure [PP@TiO2]A with an improvement of photodegradation kinetic. The best performance was obtained using [PP@Au-TiO2]A sample with 0.006 wt.% of Au and the photocatalytic improvement was correlated with the band gap energy decrease of photocatalyst.

Infrared and Raman spectroscopic characterization of the borate mineral colemanite - CaB3O4(OH)3·H2O - implications for the molecular structure

NASA Astrophysics Data System (ADS)

Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Belotti, Fernanda Maria; Cândido Filho, Mauro

2013-04-01

Colemanite CaB3O4(OH)3·H2O is a secondary borate mineral formed from borax and ulexite in evaporate deposits of alkaline lacustrine sediments. The basic structure of colemanite contains endless chains of interlocking BO2(OH) triangles and BO3(OH) tetrahedrons with the calcium, water and extra hydroxide units interspersed between these chains. The Raman spectra of colemanite is characterized by an intense band at 3605 cm-1 assigned to the stretching vibration of OH units and a series of bands at 3182, 3300, 3389 and 3534 cm-1 assigned to water stretching vibrations. Infrared bands are observed in similar positions. The BO stretching vibrations of the trigonal and tetrahedral boron are characterized by Raman bands at 876, 1065 and 1084 cm-1. The OBO bending mode is defined by the Raman band at 611 cm-1. It is important to characterize the very wide range of borate minerals including colemanite because of the very wide range of applications of boron containing minerals.

Understanding and Defining sociohydrological spaces and their boundaries: an interdisciplinary perspective from collective fieldwork

NASA Astrophysics Data System (ADS)

Riaux, Jeanne; Leduc, Christian; Ben Aïssa, Nadhira; Burte, Julien; Calvez, Roger; habaieb, Hamadi; Ogilvie, Andrew; Massuel, Sylvain; Rochette, Romain

2014-05-01

Focussing on the interactions between water and society, researchers from various scientific disciplines have worked together on a common case study, the Merguellil catchment in Central Tunisia. The aim was to foster interactions between wide-ranging disciplines and their associated approaches, as the segmented analysis of water resources, uses and management is known to limit the comprehensive understanding of water issues. One of the major difficulties in developing a interdisciplinary approach is defining a suitable common observation space or "territory". Research in social sciences notably showed that hydrological catchments, suited to integrated water resource management, are rarely relevant to socio-political issues (water transfers, management of interfluves, etc.). Likewise, hydrological research regularly highlights the mismatch between surface and ground water processes and boundaries. Hydrological, hydrogeological and sociological boundaries also fluctuate when considering different time frames, socio-political organisations and processes. Finally, a suitable observation space must also be coherent to the variety of local stakeholders involved in the research. The present paper addressed the question of what is a common multidisciplinary observation space? What approach can help define and identify boundaries that make sense to hydrologists, agronomists, anthropologists and local stakeholders? How do we reconcile physical limits and territories? In the first instance, we focus on the value and importance of fieldwork, crucial in anthropology, but equally important for hydrologists and agronomists. Through a mutual process of defining the limits and characteristics of our research object, relevant socio-hydrological spaces were able to emerge These were circumscribed through the physical characteristics (based upon hydrological boundaries and processes) and the human particularities (political organisation, productive activities) of the study area. The characteristics of these spaces are described and the differences between them are highlighted. The presence of surface water resources in the upper catchment and the reliance of riparian populations on these resources are shown to heavily condition the behaviour and boundaries of this sociohydrological space, when compared to the downstream Kairouan irrigation plain. Crucially, relevant observation scales can not be defined through an overlap of hydrological boundaries and socio-political territories. Furthermore the value and benefits of a commonly defined socio hydrological space are highlighted through the observed interactions between surface and ground water resources, hydro agricultural activities and the history of local populations. More widely, the paper also discusses the importance of historical trajectories, upscaling difficulties and the interactions which develop for and around water resources, which must be accounted for when defining a suitable socio-hydrological space.

The role of self-defined race/ethnicity in population structure control.

PubMed

Liu, X-Q; Paterson, A D; John, E M; Knight, J A

2006-07-01

Population-based association studies are powerful tools for the genetic mapping of complex diseases. However, this method is sensitive to potential confounding by population structure. While statistical methods that use genetic markers to detect and control for population structure have been the focus of current literature, the utility of self-defined race/ethnicity in controlling for population structure has been controversial. In this study of 1334 individuals, who self-identified as either African American, European American or Hispanic, we demonstrated that when the true underlying genetic structure and the self-defined racial/ethnic groups were roughly in agreement with each other, the self-defined race/ethnicity information was useful in the control of population structure.

Influence of oceanographic features on the spatial and seasonal patterns of mesozooplankton in the southern Patagonian shelf (Argentina, SW Atlantic)

NASA Astrophysics Data System (ADS)

Sabatini, M. E.; Reta, R.; Lutz, V. A.; Segura, V.; Daponte, C.

2016-05-01

Surveys conducted during spring, summer and late winter in 2005-2006 over the southern Patagonian shelf have allowed the seasonal distribution of mesozooplankton communities in relation to water masses and circulation to be investigated. In this system, most of the shelf is dominated by a distinct low salinity plume that is related to the runoff from the Magellan Strait (MSW), while the outer shelf is highly influenced by the cold and salty Subantarctic water (SAW) of the boundary Malvinas Current. Separating these two, the Subantarctic Shelf water mass (SASW) extends over the middle shelf. Correspondingly, the structure of the MSW and SAW mesozooplankton communities was found to be clearly different, while the former and the SASW assemblages were barely separable. This relatively fresh water mass is actually a variant of Subantarctic water that enters into the region from the south and the shelf-break, and hence its mesozooplankton community was not significantly different from that of the SAW water mass. Dissimilar species abundance, in turn associated with different life histories and population development, was more important than species composition in defining the assemblages. Total mesozooplankton abundance increased about 2.5-fold from the beginning of spring to late summer, and then decreased at least two orders of magnitude in winter. Across all seasons copepods represented > 70-80% of total mesozooplankton over most of the shelf. Copepod species best represented through all seasons, in terms of both relative abundance and occurrence, were Drepanopus forcipatus and Oithona helgolandica. Although seasonal differences in abundance were striking, the spatial distribution of mesozooplankton was largely similar across seasons, with relatively higher concentrations occurring mainly in Grande Bay and surroundings. The well defined spatial patterns of mesozooplankton that appear from our results in conjunction with the southward wide extension of the shelf and the predicted current path and speed suggest that plankton production is locally enhanced in the Grande Bay area and has the potential to be exported downstream.

Contribution of Water Pollution From Inadequate Sanitation and Housing Quality to Diarrheal Disease in Low-Cost Housing Settlements of Cape Town, South Africa

PubMed Central

Barnes, Jo M.; Pieper, Clarissa H.

2011-01-01

Objectives. We investigated the effects of failing sanitation, poor housing conditions, and fecal pollution in runoff water on the health—particularly the incidence of diarrheal disease—of residents of low-cost housing settlements in Cape Town, South Africa. Methods. In November 2009, we conducted a cross-sectional survey with structured interviews in 4 communities (n = 336 dwellings; 1080 persons). We used Colilert defined-substrate technology to determine Escherichia coli levels in runoff water samples taken from the study communities. Results. Almost 15% of households disposed of soiled products in storm water drains and 6% disposed of soiled products in the street. In only 26% of the dwellings were toilets washed daily. Approximately 59% of dwellings lacked a tap near the toilet for hand washing, and 14% of respondents suffered 1 or more attacks of diarrhea in the 2 weeks preceding their interview. E.coli counts of runoff environmental water samples ranged from 750 to 1 580 000 000 per 100 milliliters. Conclusions. A holistic and integrated approach is needed to improve housing quality and sanitation among Cape Town's low-income citizens. PMID:21566018

Linking root hydraulic properties to carbon allocation patterns in annual plant

NASA Astrophysics Data System (ADS)

Hosseini, A.; Ewers, B. E.; Adjesiwor, A. T.; Kniss, A. R.

2017-12-01

Incorporation of root structure and function into biophysical models is an important tool to predict plant water and nutrient uptake from the soil, plant carbon (C) assimilation, partitioning and release to the soils. Most of the models describing root water uptake (RWU) are based on semi-empirical (i.e. built on physiological hypotheses, but still combined with empirical functions) approaches and hydraulic parameters involved are hardly available. Root conductance is essential to define the interaction between soil-to-root and canopy-to-atmosphere. Also root hydraulic limitations to water flow can impact gas exchange rates and plant biomass partitioning. In this study, sugar beet (B. vulgaris) seeds under two treatments, grass (Kentucky bluegrass) and no grass (control), were planted in 19 L plastic buckets in June 2016. Photosynthetic characteristics (e.g. gas exchange and chlorophyll fluorescence), leaf morphology and anatomy, root morphology and above and below ground biomass of the plants was monitored at 15, 30, 50, 70 and 90 days after planting (DAP). Further emphasis was placed on the limits to water flow by coupling of hydraulic conductance (k) whole root-system with water relation parameters and gas exchange rates in fully established plants.

Clouds and Water Vapor in the Climate System: Remotely Piloted Aircraft and Satellites

NASA Technical Reports Server (NTRS)

Anderson, James G.

1999-01-01

The objective of this work was to attack unanswered questions that lie at the intersection of radiation, dynamics, chemistry and climate. Considerable emphasis was placed on scientific collaboration and the innovative development of instruments required to address these scientific issues. The specific questions addressed include: Water vapor distribution in the Tropical Troposphere: An understanding of the mechanisms that dictate the distribution of water vapor in the middle-upper troposphere; Atmospheric Radiation: In the spectral region between 200 and 600/cm that encompasses the water vapor rotational and continuum structure, where most of the radiative cooling of the upper troposphere occurs, there is a critical need to test radiative transfer calculations using accurate, spectrally resolved radiance observations of the cold atmosphere obtained simultaneously with in situ species concentrations; Thin Cirrus: Cirrus clouds play a central role in the energy and water budgets of the tropical tropopause region; Stratosphere-Troposphere Exchange: Assessment of our ability to predict the behavior of the atmosphere to changes in the boundary conditions defined by thermal, chemical or biological variables; Correlative Science with Satellite Observations: Linking this research to the developing series of EOS observations is critical for scientific progress.

Why do proteins aggregate? “Intrinsically insoluble proteins” and “dark mediators” revealed by studies on “insoluble proteins” solubilized in pure water

PubMed Central

Song, Jianxing

2013-01-01

In 2008, I reviewed and proposed a model for our discovery in 2005 that unrefoldable and insoluble proteins could in fact be solubilized in unsalted water. Since then, this discovery has offered us and other groups a powerful tool to characterize insoluble proteins, and we have further addressed several fundamental and disease-relevant issues associated with this discovery. Here I review these results, which are conceptualized into several novel scenarios. 1) Unlike 'misfolded proteins', which still retain the capacity to fold into well-defined structures but are misled to 'off-pathway' aggregation, unrefoldable and insoluble proteins completely lack this ability and will unavoidably aggregate in vivo with ~150 mM ions, thus designated as 'intrinsically insoluble proteins (IIPs)' here. IIPs may largely account for the 'wastefully synthesized' DRiPs identified in human cells. 2) The fact that IIPs including membrane proteins are all soluble in unsalted water, but get aggregated upon being exposed to ions, logically suggests that ions existing in the background play a central role in mediating protein aggregation, thus acting as 'dark mediators'. Our study with 14 salts confirms that IIPs lack the capacity to fold into any well-defined structures. We uncover that salts modulate protein dynamics and anions bind proteins with high selectivity and affinity, which is surprisingly masked by pre-existing ions. Accordingly, I modified my previous model. 3) Insoluble proteins interact with lipids to different degrees. Remarkably, an ALS-causing P56S mutation transforms the β-sandwich MSP domain into a helical integral membrane protein. Consequently, the number of membrane-interacting proteins might be much larger than currently recognized. To attack biological membranes may represent a common mechanism by which aggregated proteins initiate human diseases. 4) Our discovery also implies a solution to the 'chicken-and-egg paradox' for the origin of primitive membranes embedded with integral membrane proteins, if proteins originally emerged in unsalted prebiotic media. PMID:24555050

Geologic structure of the Yucaipa area inferred from gravity data, San Bernardino and Riverside Counties, California

USGS Publications Warehouse

Mendez, Gregory O.; Langenheim, V.E.; Morita, Andrew; Danskin, Wesley R.

2016-09-30

In the spring of 2009, the U.S. Geological Survey, in cooperation with the San Bernardino Valley Municipal Water District, began working on a gravity survey in the Yucaipa area to explore the three-dimensional shape of the sedimentary fill (alluvial deposits) and the surface of the underlying crystalline basement rocks. As water use has increased in pace with rapid urbanization, water managers have need for better information about the subsurface geometry and the boundaries of groundwater subbasins in the Yucaipa area. The large density contrast between alluvial deposits and the crystalline basement complex permits using modeling of gravity data to estimate the thickness of alluvial deposits. The bottom of the alluvial deposits is considered to be the top of crystalline basement rocks. The gravity data, integrated with geologic information from surface outcrops and 51 subsurface borings (15 of which penetrated basement rock), indicated a complex basin configuration where steep slopes coincide with mapped faults―such as the Crafton Hills Fault and the eastern section of the Banning Fault―and concealed ridges separate hydrologically defined subbasins.Gravity measurements and well logs were the primary data sets used to define the thickness and structure of the groundwater basin. Gravity measurements were collected at 256 new locations along profiles that totaled approximately 104.6 km (65 mi) in length; these data supplemented previously collected gravity measurements. Gravity data were reduced to isostatic anomalies and separated into an anomaly field representing the valley fill. The ‘valley-fill-deposits gravity anomaly’ was converted to thickness by using an assumed, depth-varying density contrast between the alluvial deposits and the underlying bedrock.To help visualize the basin geometry, an animation of the elevation of the top of the basement-rocks was prepared. The animation “flies over” the Yucaipa groundwater basin, viewing the land surface, geology, faults, and ridges and valleys of the shaded-relief elevation of the top of the basement complex.

Protein-Protein Docking in Drug Design and Discovery.

PubMed

Kaczor, Agnieszka A; Bartuzi, Damian; Stępniewski, Tomasz Maciej; Matosiuk, Dariusz; Selent, Jana

2018-01-01

Protein-protein interactions (PPIs) are responsible for a number of key physiological processes in the living cells and underlie the pathomechanism of many diseases. Nowadays, along with the concept of so-called "hot spots" in protein-protein interactions, which are well-defined interface regions responsible for most of the binding energy, these interfaces can be targeted with modulators. In order to apply structure-based design techniques to design PPIs modulators, a three-dimensional structure of protein complex has to be available. In this context in silico approaches, in particular protein-protein docking, are a valuable complement to experimental methods for elucidating 3D structure of protein complexes. Protein-protein docking is easy to use and does not require significant computer resources and time (in contrast to molecular dynamics) and it results in 3D structure of a protein complex (in contrast to sequence-based methods of predicting binding interfaces). However, protein-protein docking cannot address all the aspects of protein dynamics, in particular the global conformational changes during protein complex formation. In spite of this fact, protein-protein docking is widely used to model complexes of water-soluble proteins and less commonly to predict structures of transmembrane protein assemblies, including dimers and oligomers of G protein-coupled receptors (GPCRs). In this chapter we review the principles of protein-protein docking, available algorithms and software and discuss the recent examples, benefits, and drawbacks of protein-protein docking application to water-soluble proteins, membrane anchoring and transmembrane proteins, including GPCRs.

Dicobalt-μ-oxo polyoxometalate compound, [(α(2)-P2W17O61Co)2O](14-): a potent species for water oxidation, C-H bond activation, and oxygen transfer.

PubMed

Barats-Damatov, Delina; Shimon, Linda J W; Weiner, Lev; Schreiber, Roy E; Jiménez-Lozano, Pablo; Poblet, Josep M; de Graaf, Coen; Neumann, Ronny

2014-02-03

High-valent oxo compounds of transition metals are often implicated as active species in oxygenation of hydrocarbons through carbon-hydrogen bond activation or oxygen transfer and also in water oxidation. Recently, several examples of cobalt-catalyzed water oxidation have been reported, and cobalt(IV) species have been suggested as active intermediates. A reactive species, formally a dicobalt(IV)-μ-oxo polyoxometalate compound [(α2-P2W17O61Co)2O](14-), [(POMCo)2O], has now been isolated and characterized by the oxidation of a monomeric [α2-P2W17O61Co(II)(H2O)](8-), [POMCo(II)H2O], with ozone in water. The crystal structure shows a nearly linear Co-O-Co moiety with a Co-O bond length of ∼1.77 Å. In aqueous solution [(POMCo)2O] was identified by (31)P NMR, Raman, and UV-vis spectroscopy. Reactivity studies showed that [(POMCo)2O]2O] is an active compound for the oxidation of H2O to O2, direct oxygen transfer to water-soluble sulfoxides and phosphines, indirect epoxidation of alkenes via a Mn porphyrin, and the selective oxidation of alcohols by carbon-hydrogen bond activation. The latter appears to occur via a hydrogen atom transfer mechanism. Density functional and CASSCF calculations strongly indicate that the electronic structure of [(POMCo)2O]2O] is best defined as a compound having two cobalt(III) atoms with two oxidized oxygen atoms.

Simulation of operating rules and discretional decisions using a fuzzy rule-based system integrated into a water resources management model

NASA Astrophysics Data System (ADS)

Macian-Sorribes, Hector; Pulido-Velazquez, Manuel

2013-04-01

Water resources systems are operated, mostly, using a set of pre-defined rules not regarding, usually, to an optimal allocation in terms of water use or economic benefits, but to historical and institutional reasons. These operating policies are reproduced, commonly, as hedging rules, pack rules or zone-based operations, and simulation models can be used to test their performance under a wide range of hydrological and/or socio-economic hypothesis. Despite the high degree of acceptation and testing that these models have achieved, the actual operation of water resources systems hardly follows all the time the pre-defined rules with the consequent uncertainty on the system performance. Real-world reservoir operation is very complex, affected by input uncertainty (imprecision in forecast inflow, seepage and evaporation losses, etc.), filtered by the reservoir operator's experience and natural risk-aversion, while considering the different physical and legal/institutional constraints in order to meet the different demands and system requirements. The aim of this work is to expose a fuzzy logic approach to derive and assess the historical operation of a system. This framework uses a fuzzy rule-based system to reproduce pre-defined rules and also to match as close as possible the actual decisions made by managers. After built up, the fuzzy rule-based system can be integrated in a water resources management model, making possible to assess the system performance at the basin scale. The case study of the Mijares basin (eastern Spain) is used to illustrate the method. A reservoir operating curve regulates the two main reservoir releases (operated in a conjunctive way) with the purpose of guaranteeing a high realiability of supply to the traditional irrigation districts with higher priority (more senior demands that funded the reservoir construction). A fuzzy rule-based system has been created to reproduce the operating curve's performance, defining the system state (total water stored in the reservoirs) and the month of the year as inputs; and the demand deliveries as outputs. The developed simulation management model integrates the fuzzy-ruled system of the operation of the two main reservoirs of the basin with the corresponding mass balance equations, the physical or boundary conditions and the water allocation rules among the competing demands. Historical information on inflow time series is used as inputs to the model simulation, being trained and validated using historical information on reservoir storage level and flow in several streams of the Mijares river. This methodology provides a more flexible and close to real policies approach. The model is easy to develop and to understand due to its rule-based structure, which mimics the human way of thinking. This can improve cooperation and negotiation between managers, decision-makers and stakeholders. The approach can be also applied to analyze the historical operation of the reservoir (what we have called a reservoir operation "audit").

Subnetworks of percolation backbones to model karst systems around Tulum, Mexico

NASA Astrophysics Data System (ADS)

Hendrick, Martin; Renard, Philippe

2016-11-01

Karstic caves, which play a key role in groundwater transport, are often organized as complex connected networks resulting from the dissolution of carbonate rocks. In this work, we propose a new model to describe and study the structures of the two largest submersed karst networks in the world. Both of these networks are located in the area of Tulum (Quintana Roo, Mexico). In a previous work te{hendrick2016fractal} we showed that these networks behave as self-similar structures exhibiting well-defined scaling behaviours. In this paper, we suggest that these networks can be modeled using substructures of percolation clusters (θ-subnetworks) having similar structural behaviour (in terms of fractal dimension and conductivity exponent) to those observed in Tulum's karst networks. We show in addition that these θ-subnetworks correspond to structures that minimise a global function, where this global function includes energy dissipation by the viscous forces when water flows through the network, and the cost of network formation itself.

Structural mechanism of laforin function in glycogen dephosphorylation and lafora disease.

PubMed

Raththagala, Madushi; Brewer, M Kathryn; Parker, Matthew W; Sherwood, Amanda R; Wong, Brian K; Hsu, Simon; Bridges, Travis M; Paasch, Bradley C; Hellman, Lance M; Husodo, Satrio; Meekins, David A; Taylor, Adam O; Turner, Benjamin D; Auger, Kyle D; Dukhande, Vikas V; Chakravarthy, Srinivas; Sanz, Pascual; Woods, Virgil L; Li, Sheng; Vander Kooi, Craig W; Gentry, Matthew S

2015-01-22

Glycogen is the major mammalian glucose storage cache and is critical for energy homeostasis. Glycogen synthesis in neurons must be tightly controlled due to neuronal sensitivity to perturbations in glycogen metabolism. Lafora disease (LD) is a fatal, congenital, neurodegenerative epilepsy. Mutations in the gene encoding the glycogen phosphatase laforin result in hyperphosphorylated glycogen that forms water-insoluble inclusions called Lafora bodies (LBs). LBs induce neuronal apoptosis and are the causative agent of LD. The mechanism of glycogen dephosphorylation by laforin and dysfunction in LD is unknown. We report the crystal structure of laforin bound to phosphoglucan product, revealing its unique integrated tertiary and quaternary structure. Structure-guided mutagenesis combined with biophysical and biochemical analyses reveal the basis for normal function of laforin in glycogen metabolism. Analyses of LD patient mutations define the mechanism by which subsets of mutations disrupt laforin function. These data provide fundamental insights connecting glycogen metabolism to neurodegenerative disease. Copyright © 2015 Elsevier Inc. All rights reserved.

NEUTRONIC REACTOR CORE

DOEpatents

Thomson, W.B.; Corbin, A. Jr.

1961-07-18

An improved core for a gas-cooled power reactor which admits gas coolant at high temperatures while affording strong integral supporting structure and efficient moderation of neutrons is described. The multiplicities of fuel elements constituting the critical amassment of fissionable material are supported and confined by a matrix of metallic structure which is interspersed therebetween. Thermal insulation is interposed between substantially all of the metallic matrix and the fuel elements; the insulation then defines the principal conduit system for conducting the coolant gas in heat-transfer relationship with the fuel elements. The metallic matrix itseif comprises a system of ducts through which an externally-cooled hydrogeneous liquid, such as water, is circulated to serve as the principal neutron moderant for the core and conjointly as the principal coolant for the insulated metallic structure. In this way, use of substantially neutron transparent metals, such as aluminum, becomes possible for the supporting structure, despite the high temperatures of the proximate gas. The Aircraft Nuclear Propulsion program's "R-1" reactor design is a preferred embodiment.

Archaeology as anthropology

NASA Astrophysics Data System (ADS)

Rönnby, Johan

2007-12-01

The interaction between humans and the maritime coastal landscape must be one of the central theoretical questions for maritime archaeology. How should an academic discipline, which is defined by its studies in a certain physical milieu, avoid the trap of environmental determinism and still be able to argue for the special influence of the maritime factor? And how should this long-term relation to the sea be interpreted and described? In this article, based mainly on material from the central Swedish Baltic Sea coast, three examples of long-term structures regarding the relationship between people and the sea are discussed. The structures, here called “maritime durees”, which almost all coastal habitants in the analyzed area seem to have had in common are linked to: exploitation of marine resources, communication over water and the mental presence of the sea. In conclusion the actual meaning of these long-term structures for everyday life and for cultural and social change are discussed in comparison to more short term structures: the changing historical circumstances and possibilities for people to choose different strategies.

Is irrigation water price an effective leverage for water management? An empirical study in the middle reaches of the Heihe River basin

NASA Astrophysics Data System (ADS)

Zhou, Qing; Wu, Feng; Zhang, Qian

Serious water scarcity, low water-use efficiency, and over-exploitation of underground water have hindered socio-economic development and led to environmental degradation in the Heihe River basin, northwestern China. Price leveraging is an important tool in water demand management, and it is considered to be effective in promoting water conservation and improving water use efficiency on the premise that water demand is elastic. In the present study, we examine whether price is an effective and applicable instrument for restraining the increasing demand for agricultural irrigation water in the middle reaches of the Heihe River basin and how will it affect farmers' decisions on irrigation and crop structure. Specifically, the price elasticity of agricultural water demand was estimated based on the irrigation water demand function. The results show that the agricultural irrigation water price is statistically significant, but its elasticity is very low under current low water price. Price leverage cannot play a significant role in the context of the current pricing regime and farmers' response to price increase is intrinsically weak. To create incentives for conserving water and improving irrigation efficiency, price mechanism should be accompanied with clearly defined and legally enforceable water rights, restricted water quota measures, and reform of water authorities and water-user associations. Furthermore, increases of surface irrigation water price may lead to the over-withdrawal of groundwater, consequently, effective groundwater licensing and levying must take place to limit the total volume of groundwater withdrawal. In all, improving irrigation efficiency through better management and the adoption of water-saving technologies is the ultimate way to deal with the challenges facing irrigated agriculture in the middle reaches of the Heihe River basin.

Enhanced hydrogen evolution performance of ultra thin nanoslice/nanopetal structured XS{sub 2} (X = W, Mo): From experiment to theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Honglin; Tang, Zheng; Zhu, Ziqiang

2016-07-14

The production of H{sub 2} through water splitting to make the reaction process economical and friendly has attracted a lot attention. In this work, we synthesized the novel well-defined nanostructured WS{sub 2}/MoS{sub 2} composite for using as the electrocatalyst of hydrogen evolution. The final obtained nanoslice/nanopetal nanostructured WS{sub 2}/MoS{sub 2} composite possessed massive active sites that originated from its well-defined hierarchical structure with densely stacked MoS{sub 2} nanopetals. The synthesized composite exhibited significantly enhanced hydrogen evolution reaction (HER) activity and clearly superior to the pristine MoS{sub 2}/WS{sub 2}. With the purpose to give a theoretical explanation of the corresponding enhancementmore » mechanism, the first-principles investigation based on the density functional theory was further employed to survey the electronic properties of different structures. Charge density difference and Bader charge analyses revealed that electrons could directional transfer from WS{sub 2} to MoS{sub 2} and provided an “electron-rich” environment, which was beneficial to the improvement of HER efficiency. These analytical methods will necessarily offer new angles to explain the enhancement mechanism of HER processes regarding the interaction between WS{sub 2} and MoS{sub 2}, which can accurately elucidate the reason why composite structure exhibits a better HER performance based on the experimental results.« less

Celecoxib Encapsulation in β-Casein Micelles: Structure, Interactions, and Conformation.

PubMed

Turovsky, Tanya; Khalfin, Rafail; Kababya, Shifi; Schmidt, Asher; Barenholz, Yechezkel; Danino, Dganit

2015-07-07

β-Casein is a 24 kDa natural protein that has an open conformation and almost no folded or secondary structure, and thus is classified as an intrinsically unstructured protein. At neutral pH, β-casein has an amphiphilic character. Therefore, in contrast to most unstructured proteins that remain monomeric in solution, β-casein self-assembles into well-defined core-shell micelles. We recently developed these micelles as potential carriers for oral administration of poorly water-soluble pharmaceuticals, using celecoxib as a model drug. Herein we present deep and precise insight into the physicochemical characteristics of the protein-drug formulation, both in bulk solution and in dry form, emphasizing drug conformation, packing properties and aggregation state. In addition, the formulation is extensively studied in terms of structure and morphology, protein/drug interactions and physical stability. Particularly, NMR measurements indicated strong drug-protein interactions and noncrystalline drug conformation, which is expected to improve drug solubility and bioavailability. Small-angle X-ray scattering (SAXS) and cryogenic transmission electron microscopy (cryo-TEM) were combined for nanostructural characterization, proving that drug-protein interactions lead to well-defined spheroidal micelles that become puffier and denser upon drug loading. Dynamice light scattering (DLS), turbidity measurements, and visual observations complemented the analysis for determining formulation structure, interactions, and stability. Additionally, it was shown that the loaded micelles retain their properties through freeze-drying and rehydration, providing long-term physical and chemical stability. Altogether, the formulation seems greatly promising for oral drug delivery.

Putting the Biology Back in Astrobiology: Defining Key Habitat Parameters with EJSM

NASA Astrophysics Data System (ADS)

Bowman, J. S.; Schmidt, B. E.

2010-12-01

The science surrounding missions to the outer planets has been dominated by geophysical questions. The Europa Jupiter System Mission (EJSM), however, is a search explicitly for a “habitable world”. While not a life detection mission, the presence of ice penetrating radar (IPR) and other instruments provides an opportunity to answer questions that are biological in nature. The IPR will characterize the ice structure, including any subsurface water and ice-water interfaces. If life is to be found on Europa it may be present at the first water-ice interface; water lenses within the shell closer to the Europan surface than the ice-ocean interface. IPR can confirm the presence and abundance of these putative habitats, potentially within range of future life detection missions. EJSM will also directly inform biologists by determining some ice properties and estimating its rate of overturn, constraining the flux of oxidants and thus the amount of metabolism that can be supported. Terrestrial analogues may be useful models for the Europan ice-ocean system as revealed by IPR. The underside of sea ice represents a concentrated zone of life, defined by the availability of energy, along a column thousands of meters in length. For phototrophs attachment to the underside of sea ice guarantees access to light. For heterotrophs association ensures a supply of chemical energy in the form of organic carbon. If life exists on Europa we might expect a similar scenario, in this case with chemolithotrophs using the ice as a conduit for energy. This strategy suggests that if life is to be found on Europa it may well reach its highest concentration at the uppermost ice-water interface. Similarly, within saline ice biology is strongly associated with interstitial spaces: microscale channels and pores that result from the differential freezing of saline water. Within these spaces material is concentrated, providing an environment enriched in chemical energy. Here we present several habitat parameters that can be directly assessed via IPR, and discuss biological questions that EJSM may answer in the context of terrestrial analogues with an emphasis on multiyear sea ice (MYI). Although subglacial lakes may be analogues for a biosphere deep in the Europan ocean, MYI may share more structural similarities with the Europan ice shell than grounded glacial ice. Calculations suggest that organic and inorganic materials within the interstial spaces of MYI are concentrated as much as 500 fold, possibly aiding microbial metabolism through periods of very low temperature. In a similar manner organic carbon from endogenic or exogenic sources on Europa would concentrate in these spaces, serving as a valuable electron donor or acceptor for organisms in the ice. An environment’s physical structure helps structure the community which inhabits it, thus the MYI microbial community should inform a developing model of a hypothetical Europan ecosystem. Recent applications of 454 sequencing technology to the MYI community indicates a surprising degree of diversity within this environment, similar to that of underlying seawater. These findings suggest the potential for a diverse Europan microbial ecosystem despite energy limitations imposed by a permanent ice cover.

Structural control on the deep hydrogeological and geothermal aquifers related to the fractured Campanian-Miocene reservoirs of north-eastern Tunisia foreland constrained by subsurface data

NASA Astrophysics Data System (ADS)

Khomsi, Sami; Echihi, Oussema; Slimani, Naji

2012-03-01

A set of different data including high resolution seismic sections, petroleum wire-logging well data, borehole piezometry, structural cross-sections and outcrop analysis allowed us to characterise the tectonic framework, and its relationships with the deep aquifers seated in Cretaceous-Miocene deep reservoirs. The structural framework, based on major structures, controls the occurrence of deep aquifers and sub-basin aquifer distributions. Five structural domains can be defined, having different morphostructural characteristics. The northernmost domain lying on the north-south axis and Zaghouan thrust system is a domain of recharge by underflow of the different subsurface reservoirs and aquifers from outcrops of highly fractured reservoirs. On the other hand, the morphostructural configuration controls the piezometry of underground flows in the Plio-Quaternary unconfined aquifer. In the subsurface the Late Cretaceous-Miocene reservoirs are widespread with high thicknesses in many places and high porosities and connectivities especially along major fault corridors and on the crestal parts of major anticlines. Among all reservoirs, the Oligo-Miocene, detritic series are widespread and present high cumulative thicknesses. Subsurface and fieldwork outline the occurrence of 10 fractured sandy reservoirs for these series with packages having high hydrodynamic and petrophysical characteristics. These series show low salinities (maximum 5 g/l) in the northern part of the study area and will constitute an important source of drinkable water for the next generations. A regional structural cross-section is presented, compiled from all the different data sets, allowing us to define the major characteristics of the hydrogeological-hydrogeothermal sub-basins. Eight hydrogeological provinces are defined from north-west to south-east. A major thermal anomaly is clearly identified in the south-eastern part of the study area in Sfax-Sidi Il Itayem. This anomaly is possibly related to major faults pertaining to the Sirt basin and controlled by a deep thermal anomaly. Many exploration targets are identified especially along the Cherichira-Kondar thrust where the Oligocene subcropping reservoirs are well developed. They are highly fractured and show good hydrodynamic characteristics.

Audiomagnetotelluric investigation of Snake Valley, eastern Nevada and western Utah

USGS Publications Warehouse

McPhee, Darcy K.; Pari, Keith; Baird, Frank

2009-01-01

As support for an exploratory well-drilling and hydraulic-testing program, AMT data were collected using a Geometrics Stratagem EH4 system along four profiles that extend roughly east-west from the southern Snake Range into Snake Valley. The profiles range from 3 to 5 kilometers in length, and station spacing was 200 to 400 meters. Two-dimensional inverse models were computed using the data from the transverse-electric (TE), transverse-magnetic (TM), and combined (TE+TM) mode using a conjugate gradient, finite-difference method. Interpretation of the 2-D AMT models defines several faults, some of which may influence ground-water flow in the basins, as well as identify underlying Paleozoic carbonate and clastic rocks and the thickness of basin-fill sediments. These AMT data and models, coupled with the geologic mapping and other surface geophysical methods, form the basis for identifying potential well sites and defining the subsurface structures and stratigraphy within Snake Valley.

An observational model for biomechanical assessment of sprint kayaking technique.

PubMed

McDonnell, Lisa K; Hume, Patria A; Nolte, Volker

2012-11-01

Sprint kayaking stroke phase descriptions for biomechanical analysis of technique vary among kayaking literature, with inconsistencies not conducive for the advancement of biomechanics applied service or research. We aimed to provide a consistent basis for the categorisation and analysis of sprint kayak technique by proposing a clear observational model. Electronic databases were searched using key words kayak, sprint, technique, and biomechanics, with 20 sources reviewed. Nine phase-defining positions were identified within the kayak literature and were divided into three distinct types based on how positions were defined: water-contact-defined positions, paddle-shaft-defined positions, and body-defined positions. Videos of elite paddlers from multiple camera views were reviewed to determine the visibility of positions used to define phases. The water-contact-defined positions of catch, immersion, extraction, and release were visible from multiple camera views, therefore were suitable for practical use by coaches and researchers. Using these positions, phases and sub-phases were created for a new observational model. We recommend that kayaking data should be reported using single strokes and described using two phases: water and aerial. For more detailed analysis without disrupting the basic two-phase model, a four-sub-phase model consisting of entry, pull, exit, and aerial sub-phases should be used.

Environmental Drivers of the Canadian Arctic Megabenthic Communities

PubMed Central

Roy, Virginie; Iken, Katrin; Archambault, Philippe

2014-01-01

Environmental gradients and their influence on benthic community structure vary over different spatial scales; yet, few studies in the Arctic have attempted to study the influence of environmental gradients of differing spatial scales on megabenthic communities across continental-scales. The current project studied for the first time how megabenthic community structure is related to several environmental factors over 2000 km of the Canadian Arctic, from the Beaufort Sea to northern Baffin Bay. Faunal trawl samples were collected between 2007 and 2011 at 78 stations from 30 to 1000 m depth and patterns in biomass, density, richness, diversity, and taxonomic composition were examined in relation to indirect/spatial gradients (e.g., depth), direct gradients (e.g., bottom oceanographic variables), and resource gradients (e.g., food supply proxies). Six benthic community types were defined based on their biomass-based taxonomic composition. Their distribution was significantly, but moderately, associated with large-scale (100–1000 km) environmental gradients defined by depth, physical water properties (e.g., bottom salinity), and meso-scale (10–100 km) environmental gradients defined by substrate type (hard vs. soft) and sediment organic carbon content. We did not observe a strong decline of bulk biomass, density and richness with depth or a strong increase of those community characteristics with food supply proxies, contrary to our hypothesis. We discuss how local- to meso-scale environmental conditions, such as bottom current regimes and polynyas, sustain biomass-rich communities at specific locations in oligotrophic and in deep regions of the Canadian Arctic. This study demonstrates the value of considering the scales of variability of environmental gradients when interpreting their relevance in structuring of communities. PMID:25019385

50 CFR Table 38 to Part 679 - GOA Amendment 80 Sideboard Limit for Halibut PSC for the Amendment 80 Sector

Code of Federal Regulations, 2010 CFR

2010-10-01

... specifications is . . . Season 1 Season 2 Season 3 Season 4 Season 5 Shallow-water species fishery as defined in... Federal fishing season 0.48% 1.89% 1.46% 0.74% 2.27% Deep-water species fishery as defined in § 679.21(d...

iss009e23808

NASA Image and Video Library

2004-09-20

ISS009-E-23808 (20 September 2004) --- A fringing coral reef in the Red Sea is featured in this image photographed by an Expedition 9 crewmember on the International Space Station (ISS). The Sudanese coast of the Red Sea is a well known destination for divers due to clear water and abundance of coral reefs (or “shia’ab” in Arabic). According to NASA scientists studying the ISS imagery, reefs are formed primarily from precipitation of calcium carbonate by corals; massive reef structures are built over thousands of years of succeeding generations of coral. In the Red Sea, fringing reefs form on shallow shelves of less than 50 meters depth along the coastline. This photograph illustrates the intricate morphology of the reef system located along the coast between Port Sudan to the northwest and the Tokar River delta to the southeast. Close to shore, fringing reefs border the coastline. Farther offshore grows a larger, more complicated barrier reef structure. Different parts of the reef structure show up as variable shades of light blue. Deeper water channels (darker blue) define the boundaries for individual reefs within the greater barrier reef system. Such a complex pattern of reefs may translate into greater ecosystem diversity through a wide variety of local reef environments.

Positron follow-up in liquid water: I. A new Monte Carlo track-structure code.

PubMed

Champion, C; Le Loirec, C

2006-04-07

When biological matter is irradiated by charged particles, a wide variety of interactions occur, which lead to a deep modification of the cellular environment. To understand the fine structure of the microscopic distribution of energy deposits, Monte Carlo event-by-event simulations are particularly suitable. However, the development of these track-structure codes needs accurate interaction cross sections for all the electronic processes: ionization, excitation, positronium formation and even elastic scattering. Under these conditions, we have recently developed a Monte Carlo code for positrons in water, the latter being commonly used to simulate the biological medium. All the processes are studied in detail via theoretical differential and total cross-section calculations performed by using partial wave methods. Comparisons with existing theoretical and experimental data in terms of stopping powers, mean energy transfers and ranges show very good agreements. Moreover, thanks to the theoretical description of positronium formation, we have access, for the first time, to the complete kinematics of the electron capture process. Then, the present Monte Carlo code is able to describe the detailed positronium history, which will provide useful information for medical imaging (like positron emission tomography) where improvements are needed to define with the best accuracy the tumoural volumes.

Shallow Population Genetic Structures of Thread-sail Filefish (Stephanolepis cirrhifer) Populations from Korean Coastal Waters.

PubMed

Yoon, M; Park, W; Nam, Y K; Kim, D S

2012-02-01

Genetic diversities, population genetic structures and demographic histories of the thread-sail filefish Stephanolepis cirrhifer were investigated by nucleotide sequencing of 336 base pairs of the mitochondrial DNA (mtDNA) control region in 111 individuals collected from six populations in Korean coastal waters. A total of 70 haplotypes were defined by 58 variable nucleotide sites. The neighbor-joining tree of the 70 haplotypes was shallow and did not provide evidence of geographical associations. Expansion of S. cirrhifer populations began approximate 51,000 to 102,000 years before present, correlating with the period of sea level rise since the late Pleistocene glacial maximum. High levels of haplotype diversities (0.974±0.029 to 1.000±0.076) and nucleotide diversities (0.014 to 0.019), and low levels of genetic differentiation among populations inferred from pairwise population F ST values (-0.007 to 0.107), support an expansion of the S. cirrhifer population. Hierarchical analysis of molecular variance (AMOVA) revealed weak but significant genetic structures among three groups (F CT = 0.028, p<0.05), and no genetic variation within groups (0.53%; F SC = 0.005, p = 0.23). These results may help establish appropriate fishery management strategies for stocks of S. cirrhifer and related species.

Shallow Population Genetic Structures of Thread-sail Filefish (Stephanolepis cirrhifer) Populations from Korean Coastal Waters

PubMed Central

Yoon, M.; Park, W.; Nam, Y. K.; Kim, D. S.

2012-01-01

Genetic diversities, population genetic structures and demographic histories of the thread-sail filefish Stephanolepis cirrhifer were investigated by nucleotide sequencing of 336 base pairs of the mitochondrial DNA (mtDNA) control region in 111 individuals collected from six populations in Korean coastal waters. A total of 70 haplotypes were defined by 58 variable nucleotide sites. The neighbor-joining tree of the 70 haplotypes was shallow and did not provide evidence of geographical associations. Expansion of S. cirrhifer populations began approximate 51,000 to 102,000 years before present, correlating with the period of sea level rise since the late Pleistocene glacial maximum. High levels of haplotype diversities (0.974±0.029 to 1.000±0.076) and nucleotide diversities (0.014 to 0.019), and low levels of genetic differentiation among populations inferred from pairwise population FST values (−0.007 to 0.107), support an expansion of the S. cirrhifer population. Hierarchical analysis of molecular variance (AMOVA) revealed weak but significant genetic structures among three groups (FCT = 0.028, p<0.05), and no genetic variation within groups (0.53%; FSC = 0.005, p = 0.23). These results may help establish appropriate fishery management strategies for stocks of S. cirrhifer and related species. PMID:25049547

Development and mechanical properties of structural materials from lunar simulants

NASA Technical Reports Server (NTRS)

Desai, Chandra S.; Girdner, K.; Saadatmanesh, H.; Allen, T.

1991-01-01

Development of the technologies for manufacture of structural and construction materials on the Moon, utilizing local lunar soil (regolith), without the use of water, is an important element for habitats and explorations in space. Here, it is vital that the mechanical behavior such as strength and flexural properties, fracture toughness, ductility and deformation characteristics be defined toward establishment of the ranges of engineering applications of the materials developed. The objective is to describe the research results in two areas for the above goal: (1) liquefaction of lunar simulant (at about 100 C) with different additives (fibers, powders, etc.); and (2) development and use of a new triaxial test device in which lunar simulants are first compressed under cycles of loading, and then tested with different vacuums and initial confining or in situ stress.

Revealing the membrane-bound structure of neurokinin A using neutron diffraction

NASA Astrophysics Data System (ADS)

Darkes, Malcolm J. M.; Hauss, Thomas; Dante, Silvia; Bradshaw, Jeremy P.

2000-03-01

Neurokinin A (or substance K) belongs to the tachykinin family, a group of small amphipathic peptides that bind to specific membrane-embedded, G-protein coupled receptors. The agonist/receptor complex is quaternary in nature because the receptor binding sites are thought to be located within the lipid bilayer and because the role of water cannot be ignored. The cell membrane acts as a solvent to accumulate peptide and an inducer of peptide secondary structure. The three-dimensional shape that the peptide assumes when associated to the cell membrane will be an important parameter with regards to the receptor selectivity and affinity. Neutron diffraction measurements were carried out in order to define the location of the N-terminus of the peptide in synthetic phospholipid multi-bilayer stacks.

Tailoring Water, Sanitation, and Hygiene (WASH) Targets for Soil-Transmitted Helminthiasis and Schistosomiasis Control.

PubMed

Campbell, Suzy J; Biritwum, Nana-Kwadwo; Woods, Geordie; Velleman, Yael; Fleming, Fiona; Stothard, J Russell

2018-01-01

The World Health Organization's (WHO) 2015-2020 Global Strategy on water, sanitation, and hygiene (WASH) and neglected tropical diseases (NTDs) encourages integration, whilst maintaining existing structured NTD investments, and acceleration towards Sustainable Development Goal (SDG) targets. Accordingly, SDG-associated and WASH-NTD indicators have been developed, commencing important intersectoral dialogue, alongside opportunities for future disease-specific refinements. The rationale for soil-transmitted helminthiasis (STH)- and schistosomiasis-specific WASH considerations, and a traffic-light figure, are presented here to indicate where current international definitions may, or may not, suffice. Certain unique aspects in control dynamics and parasitic lifecycles, however, necessitate additional implementation research with more appropriate measurement indicators developed to record programmatic interventions and to define strategic priorities more effectively. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Interactions of surfactants with lipid membranes.

PubMed

Heerklotz, Heiko

2008-01-01

Surfactants are surface-active, amphiphilic compounds that are water-soluble in the micro- to millimolar range, and self-assemble to form micelles or other aggregates above a critical concentration. This definition comprises synthetic detergents as well as amphiphilic peptides and lipopeptides, bile salts and many other compounds. This paper reviews the biophysics of the interactions of surfactants with membranes of insoluble, naturally occurring lipids. It discusses structural, thermodynamic and kinetic aspects of membrane-water partitioning, changes in membrane properties induced by surfactants, membrane solubilisation to micelles and other phases formed by lipid-surfactant systems. Each section defines and derives key parameters, mentions experimental methods for their measurement and compiles and discusses published data. Additionally, a brief overview is given of surfactant-like effects in biological systems, technical applications of surfactants that involve membrane interactions, and surfactant-based protocols to study biological membranes.

Impact-induced atmospheres and oceans on earth and Venus

NASA Technical Reports Server (NTRS)

Matsui, T.; Abe, Y.

1986-01-01

The effects of planetesimal-impact induced atmosphere formation on the earth and Venus are modeled to gain an indication why the two planets, at relatively equal distances from the sun, evolved so differently. Both planets gained approximately 10 to the 21 kg of water from the impacts. The water mass of the accreting planetesimals would have remained, initially, as a hot atmosphere. A two-stream approximation is defined for the temperature profile of a plane parallel atmosphere in radiative equilibrium. It is shown that the Venus atmosphere did not, as happened on earth, condense into a hot ocean after the impact epoch. Instead, the greenhouse effect caused the Venus equilibrium thermal structure to remain higher than the vapor pressure, keepinig the atmosphere in a vapor phase until the vapor dissociated and H2 atoms eventually escaped into space.

Analysis of the Earthquake Impact towards water-based fire extinguishing system

NASA Astrophysics Data System (ADS)

Lee, J.; Hur, M.; Lee, K.

2015-09-01

Recently, extinguishing system installed in the building when the earthquake occurred at a separate performance requirements. Before the building collapsed during the earthquake, as a function to maintain a fire extinguishing. In particular, the automatic sprinkler fire extinguishing equipment, such as after a massive earthquake without damage to piping also must maintain confidentiality. In this study, an experiment installed in the building during the earthquake, the water-based fire extinguishing saw grasp the impact of the pipe. Experimental structures for water-based fire extinguishing seismic construction step by step, and then applied to the seismic experiment, the building appears in the extinguishing of the earthquake response of the pipe was measured. Construction of acceleration caused by vibration being added to the size and the size of the displacement is measured and compared with the data response of the pipe from the table, thereby extinguishing water piping need to enhance the seismic analysis. Define the seismic design category (SDC) for the four groups in the building structure with seismic criteria (KBC2009) designed according to the importance of the group and earthquake seismic intensity. The event of a real earthquake seismic analysis of Category A and Category B for the seismic design of buildings, the current fire-fighting facilities could have also determined that the seismic performance. In the case of seismic design categories C and D are installed in buildings to preserve the function of extinguishing the required level of seismic retrofit design is determined.

Geomorphological and sedimentary processes of the glacially influenced northwestern Iberian continental margin and abyssal plains

NASA Astrophysics Data System (ADS)

Llave, Estefanía; Jané, Gloria; Maestro, Adolfo; López-Martínez, Jerónimo; Hernández-Molina, F. Javier; Mink, Sandra

2018-07-01

The offshore region of northwestern Iberia offers an opportunity to study the impacts of along-slope processes on the morphology of a glacially influenced continental margin, which has traditionally been conceptually characterised by predominant down-slope sedimentary processes. High-resolution multibeam bathymetry, acoustic backscatter and ultrahigh-resolution seismic reflection profile data are integrated and analysed to describe the present-day and recent geomorphological features and to interpret their associated sedimentary processes. Seventeen large-scale seafloor morphologies and sixteen individual echo types, interpreted as structural features (escarpments, marginal platforms and related fluid escape structures) and depositional and erosional bedforms developed either by the influence of bottom currents (moats, abraded surfaces, sediment waves, contourite drifts and ridges) or by gravitational features (gullies, canyons, slides, channel-levee complexes and submarine fans), are identified for the first time in the study area (spanning 90,000 km2 and water depths of 300 m to 5 km). Different types of slope failures and turbidity currents are mainly observed on the upper and lower slopes and along submarine canyons and deep-sea channels. The middle slope morphologies are mostly determined by the actions of bottom currents (North Atlantic Central Water, Mediterranean Outflow Water, Labrador Sea Water and North Atlantic Deep Water), which thereby define the margin morphologies and favour the reworking and deposition of sediments. The abyssal plains (Biscay and Iberian) are characterised by pelagic deposits and channel-lobe systems (the Cantabrian and Charcot), although several contourite features are also observed at the foot of the slope due to the influence of the deepest water masses (i.e., the North Atlantic Deep Water and Lower Deep Water). This work shows that the study area is the result of Mesozoic to present-day tectonics (e.g. the marginal platforms and structural highs). Therefore, tectonism constitutes a long-term controlling factor, whereas the climate, sediment supply and bottom currents play key roles in the recent short-term architecture and dynamics. Moreover, the recent predominant along-slope sedimentary processes observed in the studied northwestern Iberian Margin represent snapshots of the progressive stages and mixed deep-water system developments of the marginal platforms on passive margins and may provide information for a predictive model of the evolution of other similar margins.

A conceptual model for quantifying connectivity using graph theory and cellular (per-pixel) approach

NASA Astrophysics Data System (ADS)

Singh, Manudeo; Sinha, Rajiv; Tandon, Sampat K.

2016-04-01

The concept of connectivity is being increasingly used for understanding hydro-geomorphic processes at all spatio-temporal scales. Connectivity is defined as the potential for energy and material flux (water, sediments, nutrients, heat, etc.) to navigate within or between the landscape systems and has two components, structural connectivity and dynamic connectivity. Structural connectivity is defined by the spatially connected features (physical linkages) through which energy and materials flow. Dynamic connectivity is a process defined connectivity component. These two connectivity components also interact with each other by forming a feedback system. This study attempts to explore a method to quantify structural and dynamic connectivity. In fluvial transport systems, sediment and water can flow in either a diffused manner or in a channelized way. At all the scales, hydrological and sediment fluxes can be tracked using a cellular (per-pixel) approach and can be quantified using graphical approach. The material flux, slope and LULC (Land Use Land Cover) weightage factors of a pixel together determine if it will contribute towards connectivity of the landscape/system. In a graphical approach, all the contributing pixels will form a node at their centroid and this node will be connected to the next 'down-node' via a directed edge with 'least cost path'. The length of the edge will depend on the desired spatial scale and its path direction will depend on the traversed pixel's slope and the LULC (weightage) factors. The weightage factors will lie in-between 0 to 1. This value approaches 1 for the LULC factors which promote connectivity. For example, in terms of sediment connectivity, the weightage could be RUSLE (Revised Universal Soil Loss Equation) C-factors with bare unconsolidated surfaces having values close to 1. This method is best suited for areas with low slopes, where LULC can be a deciding as well as dominating factor. The degree of connectivity and its pathways will show changes under different LULC conditions even if the slope remains the same. The graphical approach provides the statistics of connected and disconnected graph elements (edges, nodes) and graph components, thereby allowing the quantification of structural connectivity. This approach also quantifies the dynamic connectivity by allowing the measurement of the fluxes (e.g. via hydrographs or sedimentographs) at any node as well as at any system outlet. The contribution of any sub-system can be understood by removing the remaining sub-systems which can be conveniently achieved by masking associated graph elements.

Fuzzy cognitive maps for issue identification in a water resources conflict resolution system

NASA Astrophysics Data System (ADS)

Giordano, R.; Passarella, G.; Uricchio, V. F.; Vurro, M.

In water management, conflicts of interests are inevitable due to the variety in quality demands and the number of stakeholders, which are affected in different ways by decisions concerning the use of the resources. Ignoring the differences among interests involved in water resources management and not resolving the emerging conflicts could lead to controversial strategies. In such cases, proposed solutions could generate strong opposition, making these solutions unfeasible. In our contribution, a Community Decision Support System is proposed. Such a system is able to support discussion and collaboration. The system helps participants to structure their problem, to help them learn about possible alternatives, their constraints and implications and to support the participants in the specification of their own preferences. More in detail, the proposed system helps each user in representing and communicating problem perspectives. To reach this aim, cognitive maps are used to capture parts of the stakeholders’ point of view and to enhance negotiation among individuals and organizations. The aim of the negotiation process is to define a shared cognitive map with regard to water management problems. Such a map can be called a water community cognitive map. The system performance has been tested by simulating a real conflict on water resources management that occurred some years ago in a river basin in the south of Italy.

Elevational Dependence of Catchment-scale Evapotranspiration Partitioning as Revealed by Water Stable Isotopes

NASA Astrophysics Data System (ADS)

Yamanaka, T.; Sato, R.

2017-12-01

Transpiration (T) through plants (i.e., green water) does not induce isotopic fractionation, although evaporation (E) from soils and water surfaces do. Therefore, water stable isotopes offer a powerful tool to partition evapotranspiration (ET) components. We attempted to evaluate catchment-scale T/ET for five mountainous catchments in the central Japan, using river water isotopes and isotope maps of precipitation and soil water as well as climatic and radar precipitation maps. The estimated T/ET ranged from 56% to 79% (ET not including interception loss), and negatively correlated with mean elevation of the catchments (r = -0.88). This is due to decreasing transpiration (-82 mm/yr per 100 m) and slightly increasing evaporation (8 mm/yr per 100 m) with increasing elevation. Another estimation scheme using isotope data only showed a positive correlation between elevation and E/P*, where P* is effective precipitation defined by gross precipitation minus interception. Because the forest coverage within the catchments has positive correlation with catchment-mean-elevation, both decrease in transpiration and increase in soil evaporation seem to reflect structural change in forests (e.g., dense to sparse) along elevation and thus temperature gradients. Applying the space-for-time substitution, our results indicates that global warming will increase transpiration (and thus carbon intake) at mid-latitude mountainous landscapes.

Is drinking water from 'improved sources' really safe? A case study in the Logone valley (Chad-Cameroon).

PubMed

Sorlini, S; Palazzini, D; Mbawala, A; Ngassoum, M B; Collivignarelli, M C

2013-12-01

Within a cooperation project coordinated by the Association for Rural Cooperation in Africa and Latin America (ACRA) Foundation, water supplies were sampled across the villages of the Logone valley (Chad-Cameroon) mostly from boreholes, open wells, rivers and lakes as well as from some piped water. Microbiological analyses and sanitary inspections were carried out at each source. The microbiological quality was determined by analysis of indicators of faecal contamination, Escherichia coli, Enterococci and Salmonellae, using the membrane filtration method. Sanitary inspections were done using WHO query forms. The assessment confirmed that there are several parameters of health concern in the studied area; bacteria of faecal origins are the most significant. Furthermore, this study demonstrated that Joint Monitoring Programme (JMP) classification and E. coli measurement are not sufficient to state water safety. In fact, in the studied area, JMP defined 'improved sources' may provide unsafe water depending on their structure and sources without E. coli may have Enterococci and Salmonellae. Sanitary inspections also revealed high health risks for some boreholes. In other cases, sources with low sanitary risk and no E. coli were contaminated by Enterococci and Salmonellae. Better management and protection of the sources, hygiene improvement and domestic water treatment before consumption are possible solutions to reduce health risks in the Logone valley.

40 CFR 131.2 - Purpose.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS WATER QUALITY STANDARDS General Provisions § 131.2 Purpose. A water quality standard defines the water quality goals of a water... criteria necessary to protect the uses. States adopt water quality standards to protect public health or...

40 CFR 131.2 - Purpose.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS WATER QUALITY STANDARDS General Provisions § 131.2 Purpose. A water quality standard defines the water quality goals of a water... criteria necessary to protect the uses. States adopt water quality standards to protect public health or...

Hydrostratigraphic Framework of the Raton, Vermejo, and Trinidad Aquifers in the Raton Basin, Las Animas County, Colorado

USGS Publications Warehouse

Watts, Kenneth R.

2006-01-01

Exploration for and production of coalbed methane has increased substantially in the Rocky Mountain region of the United States since the 1990s. During 1999-2004, annual production of natural gas (coalbed methane) from the Raton Basin in Las Animas County, Colorado, increased from 28,129,515 to 80,224,130 thousand cubic feet, and the annual volume of ground water coproduced by coalbed methane wells increased from about 949 million gallons to about 2,879 million gallons. Better definition of the hydrostratigraphic framework of the Raton, Vermejo, and Trinidad aquifers in the Raton Basin of southern Colorado is needed to evaluate the long-term effects of coalbed methane development on the availability and sustainability of ground-water resources. In 2001, the U.S. Geological Survey, in cooperation with the Colorado Water Conservation Board, began a study to evaluate the hydrogeology of the Raton Basin in Huerfano and Las Animas Counties, Colorado. Geostatistical methods were used to map the altitude of and depths to the bottoms and tops (structure) and the apparent thicknesses of the Trinidad Sandstone, the Vermejo Formation, and the Raton Formation in Las Animas County, based on completion reports and drillers' logs from about 1,400 coalbed methane wells in the Raton Basin. There was not enough subsurface control to map the structural surfaces and apparent thicknesses of the aquifers in Huerfano County. Geostatistical methods also were used to map the regional water table in the northern part of Las Animas County, based on reported depth to water from completion reports of water-supply wells. Although these maps were developed to better define the hydrostratigraphic framework, they also can be used to determine the contributing aquifer(s) of existing water wells and to estimate drilling depths of proposed water wells. These maps of the hydrostratigraphic framework could be improved with the addition of measured sections and mapping of geologic contacts at outcrops along the eastern and western margins of the Raton Basin.

ESTIMATING WATER FOOTPRINT AND MANAGING BIOREFINERY WASTEWATER IN THE PRODUCTION OF BIO-BASED RENEWABLE DIESEL BLENDSTOCK

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, May M.; Sawyer, Bernard M

This analysis covers the entire biorefinery operation. The study focuses on net water consumed for the production of a unit of biofuel: blue, green, and grey water footprint. Blue water is defined as the water consumed in the biorefinery that is withdrawn from surface and ground water. Blue water footprint includes enzyme cultivation, pretreatment, hydrolysis, bioreactor, cooling system, boiler, fuel upgrading, combustor track, and on-site WWT. Grey water is defined as wastewater generated from the biorefinery and was evaluated based on the wastewater treatment plant design. Green water, defined as rainwater consumed for the production, is not required in themore » RDB process. Approximately 7–15 gal of water are required to produce a gallon of RDB when corn stover or non-irrigated perennial grasses, switchgrass and Miscanthus x giganteus (Miscanthus), serve as the feedstock in the contiguous United States. Bioelectricity generation from the biorefinery resulted in a net water credit, which reduced the water footprint. The life cycle grey water footprint for nitrogen is primarily from nitrogen in the feedstock production stage because no wastewater is discharged into the environment in the RDB process. Perennial grasses-based RDB production shows a promising grey water footprint, while corn stover-based RDB production has a relatively low green water footprint. Results from the study can help improve our understanding of the water sustainability of advanced biofuel technology under development. Make-up water for cooling and boiling remains a major demand in the biorefinery. The work revealed a key issue or trade-off between achieving zero liquid discharge to maximize water resource use and potentially increasing cost of fuel production. Solid waste disposal was identified as a management issue, and its inverse relationship with wastewater management could affect economic sustainability.« less

Bimetallic clustered thin films with variable electro-optical properties

NASA Astrophysics Data System (ADS)

Antipov, A.; Bukharov, D.; Arakelyan, S.; Osipov, A.; Lelekova, A.

2018-01-01

The drop deposition of colloidal nanoparticles was performed from water-based colloidal solutions. The proposed procedure is based on the agglomeration of colloidal particles in laser-assisted evaporation processes. The evaporation process was resulted in the formation of clustered thin films on a glass substrate. In the experiments with bimetallic Au:Ag solutions, the clustered films are grown, the formation of the clustered films with the average height of 100 nm was achieved. Optical properties of the deposited structures were investigated experimentally. It is shown that the obtained films may become transparent and its properties are defined by its morphology.

Foil system fatigue load environments for commercial hydrofoil operation

NASA Technical Reports Server (NTRS)

Graves, D. L.

1979-01-01

The hydrofoil fatigue loads environment in the open sea is examined. The random nature of wave orbital velocities, periods and heights plus boat heading, speed and control system design are considered in the assessment of structural fatigue requirements. Major nonlinear load events such as hull slamming and foil unwetting are included in the fatigue environment. Full scale rough water load tests, field experience plus analytical loads work on the model 929 Jetfoil commercial hydrofoil are discussed. The problem of developing an overall sea environment for design is defined. State of the art analytical approaches are examined.

Absorbent product and articles made therefrom

NASA Technical Reports Server (NTRS)

Dawn, F. S.; Correale, J. V. (Inventor)

1982-01-01

A multilayer absorbent product for use in contact with the skin to absorb fluids is described. The product has a water pervious facing layer for contacting the skin, and a first fibrous wicking layer overlaying the water pervious layer. A first container section is defined by inner and outer layers of a water pervious wicking material in between a first absorbent mass and a second container section defined by inner and outer layers of a water pervious wicking material between what is disposed a second absorbent mass, and a liquid impermeable/gas permeable layer overlaying the second fibrous wicking layer.

Management Proposals of the Sabinas Reynosa Aquifer in Northeast Mexico, and Implications in the Development of Main Towns in Chihuahua

NASA Astrophysics Data System (ADS)

Sanchez, E. E.

2008-12-01

The Sabinas Reynosa water table aquifer is located in northeast Mexico in the state of Chihuahua, where this hydrologic unit is controlled by Laramide structures. The hydrostratigraphy consists of three units. At the base is a slightly compacted conglomerate HU1. The middle unit HU2 consists of clay materials packed with a carbonate cement. The upper unit is constituted by a sandy caliche with a calcareous matrix with secondary porosity, which allows it to store and transmit large volumes of water. The three units are of Paleogene age. Recently, the towns near the Sabinas Reynosa aquifer have presented supply problems, thus, this project will determine the hydrologic characterization using the groundwater budget method in order to establish the volume of water that the aquifer will yield per unit of time. The first phase consisted of defining the balance equation, by establishing the terms involved in the budget and calculating their respective values. Two different factors were defined: the inflows and outflows. In the first case, underground inflow with 225.68 Mm3 in the last five years, recharge by irrigation with 32.08 Mm3 and anthropogenic recharge with 270.50 Mm3 were considered. In the second case, the factors include underground outflow with 359.55 Mm3, pumping with 561.43 Mm3 and evapotranspiration from the water table with 130.61 Mm3. Although this last variable was calculated on a preliminary basis, a more accurate estimate requires additional studies (in process), with the aim of obtaining a more representative value. In this work is considered that evapotranspiration takes a decisive role in the analysis of the budget and hence, in the decisions that have to be taken for the proper management of the hydrological system.

Membrane architectures for ion-channel switch-based electrochemical biosensors

DOEpatents

Sansinena, Jose-Maria; Redondo, Antonio; Swanson, Basil I.; Yee, Chanel Kitmon; Sapuri/Butti, Annapoorna R.; Parikh, Atul N.; Yang, Calvin

2008-10-28

The present invention is directed to a process of forming a bilayer lipid membrane structure by depositing an organic layer having a defined surface area onto an electrically conductive substrate, removing portions of said organic layer upon said electrically conductive substrate whereby selected portions of said organic layer are removed to form defined voids within said defined surface area of said organic layer and defined islands of organic layer upon said electrically conductive substrate, and, depositing a bilayer lipid membrane over the defined voids and defined islands of organic layer upon said substrate whereby aqueous reservoirs are formed between said electrically conductive substrate and said bilayer lipid membrane, said bilayer lipid membrane characterized as spanning across the defined voids between said defined islands. A lipid membrane structure is also described together with an array of such lipid membrane structure.

40 CFR 130.3 - Water quality standards.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 23 2012-07-01 2012-07-01 false Water quality standards. 130.3 Section 130.3 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS WATER QUALITY PLANNING AND MANAGEMENT § 130.3 Water quality standards. A water quality standard (WQS) defines...

40 CFR 130.3 - Water quality standards.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 22 2014-07-01 2013-07-01 true Water quality standards. 130.3 Section 130.3 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS WATER QUALITY PLANNING AND MANAGEMENT § 130.3 Water quality standards. A water quality standard (WQS) defines...

40 CFR 130.3 - Water quality standards.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 23 2013-07-01 2013-07-01 false Water quality standards. 130.3 Section 130.3 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS WATER QUALITY PLANNING AND MANAGEMENT § 130.3 Water quality standards. A water quality standard (WQS) defines...

40 CFR 130.3 - Water quality standards.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 22 2011-07-01 2011-07-01 false Water quality standards. 130.3 Section 130.3 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS WATER QUALITY PLANNING AND MANAGEMENT § 130.3 Water quality standards. A water quality standard (WQS) defines...

Benthic macroinvertebrate assemblages and their relations with environmental variables in the Sacramento and San Joaquin River drainages, California, 1993-1997

USGS Publications Warehouse

Brown, Larry R.; May, Jason T.

2000-01-01

Data were collected in the San Joaquin and Sacramento river drainages to evaluate associations between macroinvertebrate assemblages and environmental variables as part of the National Water-Quality Assessment Program of the U.S. Geological Survey. Samples were collected at 53 sites from 1993 to 1995 in the San Joaquin River drainage and in 1996 and 1997 in the Sacramento River drainage. Macroinvertebrates were collected from riffles or from large woody debris (snags) when riffles were absent. Macroinvertebrate taxa were aggregated to the family (or higher) level of taxonomic organization, resulting in 81 taxa for analyses. Only the 50 most common taxa were used for two-way indicator species analysis (TWINSPAN) and canonical correspondence analysis. TWINSPAN analysis defined four groups of riffle samples and four groups of snag samples based on macroinvertebrate assemblages. Analysis of variance identified differences in environmental and biotic characteristics of the groups. These results combined with the results of canonical correspondence analysis indicated that patterns in riffle sample assemblage structure were highly correlated with a gradient in physical and chemical conditions associated with elevation. The results also suggested that flow regulation associated with large storage reservoirs has negative effects on the total number of taxa and density of macroinvertebrates below foothill dams. Analysis of the snag samples showed that, although elevation remained a significant variable, mean dominant substrate size, gradient, specific conductance, water temperature, percentage of the basin in agricultural land use, and percentage of the basin in combined agricultural and urban land uses were more important factors in explaining assemblage structure. Macroinvertebrate assemblages on snags may be useful in family level bioassessments of environmental conditions in valley floor habitats. In the Sierra Nevada and its foothills, the strong influence of elevation made it difficult to attribute differences in macroinvertebrate assemblage structure among sites to specific environmental conditions. Additional work is needed in the foothills and Sierra Nevada to better define macroinvertebrate assemblages and their relations to environmental variables.

A new model to simulate the elastic properties of mineralized collagen fibril.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, F.; Stock, S.R.; Haeffner, D.R.

Bone, because of its hierarchical composite structure, exhibits an excellent combination of stiffness and toughness, which is due substantially to the structural order and deformation at the smaller length scales. Here, we focus on the mineralized collagen fibril, consisting of hydroxyapatite plates with nanometric dimensions aligned within a protein matrix, and emphasize the relationship between the structure and elastic properties of a mineralized collagen fibril. We create two- and three-dimensional representative volume elements to represent the structure of the fibril and evaluate the importance of the parameters defining its structure and properties of the constituent mineral and collagen phase. Elasticmore » stiffnesses are calculated by the finite element method and compared with experimental data obtained by synchrotron X-ray diffraction. The computational results match the experimental data well, and provide insight into the role of the phases and morphology on the elastic deformation characteristics. Also, the effects of water, imperfections in the mineral phase and mineral content outside the mineralized collagen fibril upon its elastic properties are discussed.« less

A new model to simulate the elastic properties of mineralized collagen fibril

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, F.; Stock, S.R.; Haeffner, D.R.

Bone, because of its hierarchical composite structure, exhibits an excellent combination of stiffness and toughness, which is due substantially to the structural order and deformation at the smaller length scales. Here, we focus on the mineralized collagen fibril, consisting of hydroxyapatite plates with nanometric dimensions aligned within a protein matrix, and emphasize the relationship between the structure and elastic properties of a mineralized collagen fibril. We create two- and three-dimensional representative volume elements to represent the structure of the fibril and evaluate the importance of the parameters defining its structure and properties of the constituent mineral and collagen phase. Elasticmore » stiffnesses are calculated by the finite element method and compared with experimental data obtained by synchrotron X-ray diffraction. The computational results match the experimental data well, and provide insight into the role of the phases and morphology on the elastic deformation characteristics. Also, the effects of water, imperfections in the mineral phase and mineral content outside the mineralized collagen fibril upon its elastic properties are discussed.« less

The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skinner, L. B.; Mineral Physics Institute, Stony Brook University, Stony Brook, New York, New York 11794-2100; Galib, M.

2016-04-07

X-ray diffraction measurements of liquid water are reported at pressures up to 360 MPa corresponding to a density of 0.0373 molecules per Å{sup 3}. The measurements were conducted at a spatial resolution corresponding to Q{sub max} = 16 Å{sup −1}. The method of data analysis and measurement in this study follows the earlier benchmark results reported for water under ambient conditions having a density of 0.0333 molecules per Å{sup 3} and Q{sub max} = 20 Å{sup −1} [J. Chem. Phys. 138, 074506 (2013)] and at 70 °C having a density of 0.0327 molecules per Å{sup 3} and Q{sub max} = 20more » Å{sup −1} [J. Chem. Phys. 141, 214507 (2014)]. The structure of water is very different at these three different T and P state points and thus they provide the basis for evaluating the fidelity of molecular simulation. Measurements show that at 360 MPa, the 4 waters residing in the region between 2.3 and 3 Å are nearly unchanged: the peak position, shape, and coordination number are nearly identical to their values under ambient conditions. However, in the region above 3 Å, large structural changes occur with the collapse of the well-defined 2nd shell and shifting of higher shells to shorter distances. The measured structure is compared to simulated structure using intermolecular potentials described by both first-principles methods (revPBE-D3) and classical potentials (TIP4P/2005, MB-pol, and mW). The DFT-based, revPBE-D3, method and the many-body empirical potential model, MB-pol, provide the best overall representation of the ambient, high-temperature, and high-pressure data. The revPBE-D3, MB-pol, and the TIP4P/2005 models capture the densification mechanism, whereby the non-bonded 5th nearest neighbor molecule, which partially encroaches the 1st shell at ambient pressure, is pushed further into the local tetrahedral arrangement at higher pressures by the more distant molecules filling the void space in the network between the 1st and 2nd shells.« less

Evaluation of Skylab photography for water resources, San Luis Valley, Colorado

NASA Technical Reports Server (NTRS)

Lee, K. (Principal Investigator); Huntley, D.

1975-01-01

The author has identified the following significant results. Skylab S190A photography used in a stereo mode is sufficient for defining the drainage divides and drainage patterns at the regional level. This data, combined with geologic information, define the boundaries and distribution of ground water recharge and discharge areas within the basin.

Optimality and Conductivity for Water Flow: From Landscapes, to Unsaturated Soils, to Plant Leaves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, H.H.

2012-02-23

Optimality principles have been widely used in many areas. Based on an optimality principle that any flow field will tend toward a minimum in the energy dissipation rate, this work shows that there exists a unified form of conductivity relationship for three different flow systems: landscapes, unsaturated soils and plant leaves. The conductivity, the ratio of water flux to energy gradient, is a power function of water flux although the power value is system dependent. This relationship indicates that to minimize energy dissipation rate for a whole system, water flow has a small resistance (or a large conductivity) at amore » location of large water flux. Empirical evidence supports validity of the relationship for landscape and unsaturated soils (under gravity dominated conditions). Numerical simulation results also show that the relationship can capture the key features of hydraulic structure for a plant leaf, although more studies are needed to further confirm its validity. Especially, it is of interest that according to this relationship, hydraulic conductivity for gravity-dominated unsaturated flow, unlike that defined in the classic theories, depends on not only capillary pressure (or saturation), but also the water flux. Use of the optimality principle allows for determining useful results that are applicable to a broad range of areas involving highly non-linear processes and may not be possible to obtain from classic theories describing water flow processes.« less

Biogeography of top predators - seabirds and cetaceans - along four latitudinal transects in the Atlantic Ocean

NASA Astrophysics Data System (ADS)

Jungblut, Simon; Nachtsheim, Dominik A.; Boos, Karin; Joiris, Claude R.

2017-07-01

The distribution, abundance, and species assemblage of top predators - seabirds and cetaceans - can be correlated to water masses as defined by hydrological parameters. In comparison to other oceans, information about the structuring effects of water masses on top predators in the Atlantic Ocean is limited. The present study aims 1) to provide baseline distributional data of top predators for future comparisons, for instance in the course of climate change, and 2) to test how water masses and seasons affect distributional patterns of seabirds and cetaceans in the temperate and tropical Atlantic. During four trans-equatorial expeditions of the RV Polarstern between 2011 and 2014, at-sea observation data of seabirds, cetaceans and other megafauna were collected. Counts of top predators were generally low in the surveyed regions. Statistical analyses for the eight most abundant seabird species and the pooled number of cetaceans revealed water masses and seasons to account for differences in counts and thus also distribution. In most cases, borders between water masses were not very distinct due to gradual changes in surface water properties. Thus, top predator counts were correlated to water masses but, in contrast to polar waters, not strongly linked to borders between water masses. Additional factors, e.g. distance to locally productive areas (upwelling), competition effects, and seabird associations to prey-accumulating subsurface predators may be similarly important in shaping distributional patterns of top predators in the tropical and temperate Atlantic, but could not be specifically tested for here.

Urban Principle of Water Sensitive Design in Kampung Kamboja at Pontianak City

NASA Astrophysics Data System (ADS)

Hasriyanti, N.; Ryanti, E.

2017-07-01

This study will define the design principles of settlement area banks of the Kapuas Pontianak to approach the concept of water sensitive urban design (WSUD) in densely populated residential areas. Using a case study of a region densely located on the banks of the river with engineering literature to formulate the aspects taken into consideration and the components are arranged in the design, analysis descriptive paradigm rationalistic to identify the characteristics of residential areas riverbank with consideration of elements WSUD and formulate design principles residential area that is sensitive to water. This research is important to do because of problems related to the water management system in the settlement bank of the river in the city of Pontianak do not maximize. So that the primacy of this study contains several objectives to be achieved is to identify the characteristics of the settlement area riverbanks under consideration aspects areas design that is sensitive to water and principle areas design that will formulate the structure of the existing problems related to the needs of the community infrastructure facilities infrastructure neighborhoods and formulate and create guidelines for appropriate technology for integrated water management systems in the residential area of the riverbank and engineering design for the settlements are sensitive to water (WSUD). The final aim of the study is expected to achieve water management systems in residential areas by utilizing the abundant rainwater availability by using LID (Low Impact Development) through the concept of urban design that sensitive water

Water-level data for the Albuquerque Basin and adjacent areas, central New Mexico, period of record through September 30, 2011

USGS Publications Warehouse

Beman, Joseph E.

2012-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25–40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompasses the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin were obtained solely from groundwater resources until December 2008, when surface water from the Rio Grande began being treated and integrated into the system. An increase of about 20 percent in the basin human population from 1990 to 2000 and of about 22 percent increase from 2000 to 2010 also resulted in an increased demand for water. A network of wells was established by the U.S. Geological Survey in cooperation with the City of Albuquerque from April 1982 through September 1983 to monitor changes in groundwater levels throughout the basin. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly in 1983. Currently (2011), the network consists of 126 wells and piezometers (a piezometer is a specialized well open to a specific depth in the aquifer and is often of small diameter and nested with other piezometers open to different depths). This report presents water-level data collected by U.S. Geological Survey personnel at those 126 sites through water year 2011 to better help the Albuquerque Bernalillo County Water Utility Authority manage water use.

Synthesis and Characterization of the Actinium Aquo Ion

PubMed Central

2017-01-01

Metal aquo ions occupy central roles in all equilibria that define metal complexation in natural environments. These complexes are used to establish thermodynamic metrics (i.e., stability constants) for predicting metal binding, which are essential for defining critical parameters associated with aqueous speciation, metal chelation, in vivo transport, and so on. As such, establishing the fundamental chemistry of the actinium(III) aquo ion (Ac-aquo ion, Ac(H2O)x3+) is critical for current efforts to develop 225Ac [t1/2 = 10.0(1) d] as a targeted anticancer therapeutic agent. However, given the limited amount of actinium available for study and its high radioactivity, many aspects of actinium chemistry remain poorly defined. We overcame these challenges using the longer-lived 227Ac [t1/2 = 21.772(3) y] isotope and report the first characterization of this fundamentally important Ac-aquo coordination complex. Our X-ray absorption fine structure study revealed 10.9 ± 0.5 water molecules directly coordinated to the AcIII cation with an Ac–OH2O distance of 2.63(1) Å. This experimentally determined distance was consistent with molecular dynamics density functional theory results that showed (over the course of 8 ps) that AcIII was coordinated by 9 water molecules with Ac–OH2O distances ranging from 2.61 to 2.76 Å. The data is presented in the context of other actinide(III) and lanthanide(III) aquo ions characterized by XAFS and highlights the uniqueness of the large AcIII coordination numbers and long Ac–OH2O bond distances. PMID:28386595

Combinatorial structures to modeling simple games and applications

NASA Astrophysics Data System (ADS)

Molinero, Xavier

2017-09-01

We connect three different topics: combinatorial structures, game theory and chemistry. In particular, we establish the bases to represent some simple games, defined as influence games, and molecules, defined from atoms, by using combinatorial structures. First, we characterize simple games as influence games using influence graphs. It let us to modeling simple games as combinatorial structures (from the viewpoint of structures or graphs). Second, we formally define molecules as combinations of atoms. It let us to modeling molecules as combinatorial structures (from the viewpoint of combinations). It is open to generate such combinatorial structures using some specific techniques as genetic algorithms, (meta-)heuristics algorithms and parallel programming, among others.

Inferences on hydrogen bond networks in water from isopermitive frequency investigations.

PubMed

Geethu, P M; Ranganathan, Venketesh T; Satapathy, Dillip K Kumar

2018-06-26

Intermolecular hydrogen bonds play a crucial role in determining the unique characteristics of liquid water. We present low-frequency (1 Hz - 40 MHz) dielectric spectroscopic investigations on water in the presence and absence of added solutes at different temperatures from 10°C to 60°C. The intersection points of temperature dependent permittivity contours at the vicinity of isopermitive frequency (IPF) in water are recorded and its properties are presumed to be related to the extent of hydrogen bond networks in water. IPF is defined as the frequency at which the relative permittivity of water is almost independent of temperature. The set of intersection points of temperature dependent permittivity contours at the vicinity of IPF are characterized by the mean (M_IPF) and root-mean-square deviation/standard deviation (σ_IPF ) associated with IPF. The tunability of M_IPF by the addition of NaCl salt emphasizes the strong correlation between the concentration of ions in water and the M_IPF . The σ_IPF is surmised to be related to the orientational correlations of water dipoles as well as to the intermolecular hydrogen bond networks in water. Further, alterations in σ_IPF is observed with the addition of kosmotropic and chaotropic solutes into water and are thought to arise due to the restructuring of hydrogen bond networks in water in presence of added solutes. Notably, the solute induced reconfiguration of hydrogen bond networks in water or often-discussed structure making/breaking effects of the added solutes in water can be inferred, albeit qualitatively, by examining the M_IPF and σ_IPF. Further, the Gaussian deconvoluted OH-stretching modes present in the Raman Spectra of water and aqueous solutions of IPA and DMF strongly endorses the structural rearrangements occurring in water in presence of kosmotropes and chaotropes and are in-line with the results derived from the root-mean-square deviation in IPF. . © 2018 IOP Publishing Ltd.

Sequence-structure correlations in silk: Poly-Ala repeat of N. clavipes MaSp1 is naturally optimized at a critical length scale.

PubMed

Bratzel, Graham; Buehler, Markus J

2012-03-01

Spider silk is a self-assembling biopolymer that outperforms many known materials in terms of its mechanical performance despite being constructed from simple and inferior building blocks. While experimental studies have shown that the molecular structure of silk has a direct influence on the stiffness, toughness, and failure strength of silk, few molecular-level analyses of the nanostructure of silk assemblies in particular under variations of genetic sequences have been reported. Here we report atomistic-level structures of the MaSp1 protein from the Nephila Clavipes spider dragline silk sequence, obtained using an in silico approach based on replica exchange molecular dynamics (REMD) and explicit water molecular dynamics. We apply this method to study the effects of a systematic variation of the poly-alanine repeat lengths, a parameter controlled by the genetic makeup of silk, on the resulting molecular structure of silk at the nanoscale. Confirming earlier experimental and computational work, a structural analysis reveals that poly-alanine regions in silk predominantly form distinct and orderly β-sheet crystal domains while disorderly regions are formed by glycine-rich repeats that consist of 3(10)-helix type structures and β-turns. Our predictions are directly validated against experimental data based on dihedral angle pair calculations presented in Ramachandran plots combined with an analysis of the secondary structure content. The key result of our study is our finding of a strong dependence of the resulting silk nanostructure depending on the poly-alanine length. We observe that the wildtype poly-alanine repeat length of six residues defines a critical minimum length that consistently results in clearly defined β-sheet nanocrystals. For poly-alanine lengths below six, the β-sheet nanocrystals are not well-defined or not visible at all, while for poly-alanine lengths at and above six, the characteristic nanocomposite structure of silk emerges with no significant improvement of the quality of the β-sheet nanocrystal geometry. We present a simple biophysical model that explains these computational observations based on the mechanistic insight gained from the molecular simulations. Our findings set the stage for understanding how variations in the spidroin sequence can be used to engineer the structure and thereby functional properties of this biological superfiber, and present a design strategy for the genetic optimization of spidroins for enhanced mechanical properties. The approach used here may also find application in the design of other self-assembled molecular structures and fibers and in particular biologically inspired or completely synthetic systems. Copyright © 2011 Elsevier Ltd. All rights reserved.

Informing Extension Program Development through Audience Segmentation: Targeting High Water Users

ERIC Educational Resources Information Center

Huang, Pei-wen; Lamm, Alexa J.; Dukes, Michael D.

2016-01-01

Human reliance on water has led to water issues globally. Although extension professionals have made efforts successfully to educate the general public about water conservation to enhance water resource sustainability, difficulty has been found in reaching high water users, defined as residents irrigating excessively to their landscape irrigation…

Patterns of fish diversity and assemblage structure and water quality in the longest Asian tropical river (Mekong)

NASA Astrophysics Data System (ADS)

Chea, R.; Lek, S.; Grenouillet, G.

2016-12-01

Although the Mekong River is one of the world's 35 biodiversity hotspots, the large-scale patterns of fish diversity and assemblage structure remain poorly addressed. The present study aimed to investigate the spatial variability of water quality in the Lower Mekong Basin and the fish distribution patterns in the Lower Mekong River (LMR) and to identify their environmental determinants. Daily fish catch data at 38 sites distributed along the LMR were related to 15 physicochemical and 19 climatic variables. As a result, four different clusters were defined according to the similarity in assemblage composition and 80 indicator species were identified. While fish species richness was highest in the Mekong delta and lowest in the upper part of the LMR, the diversity index was highest in the middle part of the LMR and lowest in the delta. We found that fish assemblages changed along the environmental gradients and that the main drivers affecting the fish assemblage structure were the seasonal variation of temperature, precipitation, dissolved oxygen, pH, and total phosphorus. Specifically, upstream assemblages were characterized by cyprinids and Pangasius catfish, well suited to low temperature, high dissolved oxygen and high pH. Fish assemblages in the delta were dominated by perch-like fish and clupeids, more tolerant to high temperatures, and high levels of nutrients (nitrates and total phosphorus) and salinity. Overall, the patterns were consistent between seasons. Our study contributes to establishing the first holistic fish community study in the LMR. Overall of the LMR water quality, we found that the water in the mainstream was less polluted than its tributaries; eutrophication and salinity could be key factors affecting water quality in LMR. Moreover, the seasonal variation of water quality seemed to be less marked than spatial variation occurring along the longitudinal gradient of Mekong River. Significant degradations were mainly associated with human disturbance and particularly apparent in sites distributed along the man-made canals in Vietnam delta where population growth and agricultural development are intensive.

Decoupling structural and environmental determinants of sap velocity

NASA Astrophysics Data System (ADS)

Caylor, K. K.; Dragoni, D.

2007-12-01

Characterization of transpiration based on the water use of individual tress has the advantage of preserving vital information on the plant-environment functional links and flux partitioning between species and landscape areas. Whole-tree transpiration has been estimated by means of sap velocity probes, which offer the dual advantages of practicality and repeatability. However, the assumptions underlying the technique require careful verification in order to determine total sap flow from point-based estimates of sap velocity. Our work presents a novel theoretical framework for the study of individual tree sap flow that incorporates both spatial and temporal variability in sap velocities. The instantaneous sap velocity at any point in the radial profile of xylem tissue is defined as the product of two components: (1) a time-invariant sap velocity distribution linked to the species- specific anatomical and structural properties of the conducting xylem, and (2) a time-varying term linked to the dynamics of the atmospheric water demand and available soil moisture. The separation of structural and temporal variation in sap velocity observations provides a direct mechanism for investigating how sap flow is governed by variation in environmental conditions as well as a means for comparing characteristic rates of plant water use among individuals of varying size. Most critically, this approach allows for a consistent and physically meaningful method for extrapolating point observations of sap velocity across the entire depth of conducting xylem. Experimental evidence supports our theoretical framework in the case of a population of sugar maples in a mixed deciduous forest, where observations were taken from a wide range of tree sizes, under varying soil water availability and atmospheric transpiration demand. We have also applied our approach to a small homogeneous sample of dwarf apple trees in a managed orchard, with favorable results. While these results require further confirmation in order to be generalized, they nevertheless offer the basis to improve both the specific sampling strategies used to estimate whole-tree transpiration using sap velocity probes as well as methods employed to upscale water use of individual trees to larger scales for evaluation of landscape water balance.

Role of price and enforcement in water allocation: Insights from Game Theory

NASA Astrophysics Data System (ADS)

Souza Filho, Francisco Assis; Lall, Upmanu; Porto, Rubem La Laina

2008-12-01

As many countries are moving toward water sector reforms, practical issues of how water management institutions can better effect allocation, regulation, and enforcement of water rights have emerged. The problem of nonavailability of water to tailenders on an irrigation system in developing countries, due to unlicensed upstream diversions is well documented. The reliability of access or equivalently the uncertainty associated with water availability at their diversion point becomes a parameter that is likely to influence the application by users for water licenses, as well as their willingness to pay for licensed use. The ability of a water agency to reduce this uncertainty through effective water rights enforcement is related to the fiscal ability of the agency to monitor and enforce licensed use. In this paper, this interplay across the users and the agency is explored, considering the hydraulic structure or sequence of water use and parameters that define the users and the agency's economics. The potential for free rider behavior by the users, as well as their proposals for licensed use are derived conditional on this setting. The analyses presented are developed in the framework of the theory of "Law and Economics," with user interactions modeled as a game theoretic enterprise. The state of Ceara, Brazil, is used loosely as an example setting, with parameter values for the experiments indexed to be approximately those relevant for current decisions. The potential for using the ideas in participatory decision making is discussed. This paper is an initial attempt to develop a conceptual framework for analyzing such situations but with a focus on the reservoir-canal system water rights enforcement.

Coordinating water conservation efforts through tradable credits: A proof of concept for drought response in the San Francisco Bay area

NASA Astrophysics Data System (ADS)

Gonzales, Patricia; Ajami, Newsha; Sun, Yujie

2017-09-01

Water utilities are increasingly relying on water efficiency and conservation to extend the availability of supplies. Despite spatial and institutional interdependency of many utilities, these demand-side management initiatives have traditionally been tackled by individual utilities operating in isolation. In this study, we introduce a policy framework for water conservation credits that enables collaboration at the regional scale. Under the proposed approach, utilities have the flexibility to invest in water conservation measures that are appropriate for their specific service area. When utilities have insufficient capacity for local cost-effective measures, they may opt to purchase credits, contributing to fund subsidies for utilities that do have that capacity and can provide the credits, while the region as a whole benefits from more reliable water supplies. This work aims to provide insights on the potential impacts of a water conservation credit policy framework when utilities are given the option to collaborate in their efforts. We model utility decisions as rational cost-minimizing actors subject to different decision-making dynamics and water demand scenarios, and demonstrate the institutional characteristics needed for the proposed policy to be effective. We apply this model to a counterfactual case study of water utility members of the Bay Area Water Supply and Conservation Agency in California during the drought period of June 2015 to May 2016. Our scenario analysis indicates that when the institutional structure and incentives are appropriately defined, water agencies can achieve economic benefits from collaborating in their conservation efforts, especially if they coordinate more closely in their decision-making.

Vertical Moist Thermodynamic Structure and Spatial-Temporal Evolution of the MJO in AIRS Observations

NASA Technical Reports Server (NTRS)

Tian, Baijun; Waliser, Duane E.; Fetzer, Eric J.; Lambrigtsen, Bjorn H.; Yung, Yuk L.; Wang, Bin

2006-01-01

The atmospheric moisture and temperature profiles from the Atmospheric Infrared Sounder (AIRS)/Advanced Microwave Sounding Unit on the NASA Aqua mission, in combination with the precipitation from the Tropical Rainfall Measuring Mission (TRMM), are employed to study the vertical moist thermodynamic structure and spatial-temporal evolution of the Madden-Julian oscillation (MJO). The AIRS data indicate that, in the Indian Ocean and western Pacific, the temperature anomaly exhibits a trimodal vertical structure: a warm (cold) anomaly in the free troposphere (800-250 hPa) and a cold (warm) anomaly near the tropopause (above 250 hPa) and in the lower troposphere (below 800 hPa) associated with enhanced (suppressed) convection. The AIRS moisture anomaly also shows markedly different vertical structures as a function of longitude and the strength of convection anomaly. Most significantly, the AIRS data demonstrate that, over the Indian Ocean and western Pacific, the enhanced (suppressed) convection is generally preceded in both time and space by a low-level warm and moist (cold and dry) anomaly and followed by a low-level cold and dry (warm and moist) anomaly. The MJO vertical moist thermodynamic structure from the AIRS data is in general agreement, particularly in the free troposphere, with previous studies based on global reanalysis and limited radiosonde data. However, major differences in the lower-troposphere moisture and temperature structure between the AIRS observations and the NCEP reanalysis are found over the Indian and Pacific Oceans, where there are very few conventional data to constrain the reanalysis. Specifically, the anomalous lower-troposphere temperature structure is much less well defined in NCEP than in AIRS for the western Pacific, and even has the opposite sign anomalies compared to AIRS relative to the wet/dry phase of the MJO in the Indian Ocean. Moreover, there are well-defined eastward-tilting variations of moisture with height in AIRS over the central and eastern Pacific that are less well defined, and in some cases absent, in NCEP. In addition, the correlation between MJO-related mid-tropospheric water vapor anomalies and TRMM precipitation anomalies is considerably more robust in AIRS than in NCEP, especially over the Indian Ocean. Overall, the AIRS results are quite consistent with those predicted by the frictional Kelvin-Rossby wave/conditional instability of the second kind (CISK) theory for the MJO.

Sociohydrology of an Arid City: Development of a Coupled Model of Water Management in Las Vegas

NASA Astrophysics Data System (ADS)

Garcia, M. E.; Islam, S.; Portney, K. E.

2014-12-01

Rapidly growing cities in arid regions present a significant water management challenge. Key to tackling this challenge is understanding how and why some cities transition to more sustainable water management; acknowledging that urban water resources decisions are both responding to and precipitating hydrologic change, this question is best tackled through a sociohydrology approach. While coupling of natural and societal systems is in it's infancy in the field of hydrology, there is a strong tradition of studying coupled systems in the field of Socio-Ecological Systems. We build on Ostrom's Socio-Ecological Systems framework to develop a system dynamics model of water management for the Las Vegas metropolitan area using Vensim. A key objective our proposed modeling framework is to illuminate the dynamic interactions of the sociohydrologic system components and enable testing of various assumptions and strategies. The model of Las Vegas water management consists of five sub-modules: water supply, water demand, finances, public perception and policy making process. The development of the first three modules were based on clearly defined system structure. The public perception sub-module tracks the level public risk perception of a water supply shortage and represents the hypothesis that public risk perception is updated periodically when shortage events are experienced. The policy making process module uses an algorithm capturing the hypothesized decision making process to select policy actions (or in-action) from a set of feasible actions in response to the system states tracked by the model and observable to decision makers. The model was tested and parameterized using mix of quantitative data on water demands, supplies and costs and qualitative data from document analysis and interview data covering 1990 to 2010 period. Given that not only the parameters but also the structure of the public perception and the policy making process sub-systems is contested, a different approach must be taken to assess the robustness of these modules. Presented here is the development of the model, results of model testing against the historic reference modes using Las Vegas as an example, and future work planned to improve the robustness of the model.

Lecithin organogels used as bioactive compounds carriers. A microdomain properties investigation.

PubMed

Avramiotis, Spyridon; Papadimitriou, Vassiliki; Hatzara, Elina; Bekiari, Vlasoula; Lianos, Panagiotis; Xenakis, Aristotelis

2007-04-10

Organogels were obtained by adding small amounts of water to a solution of lecithin in organic solvents. Either isooctane or isopropyl palmitate and isopropyl myristate were used as the continuous organic phase of the gels. EPR spectroscopy using both DSA membrane-sensitive and lipophilic spin probes was applied to define the dynamic structure of the surfactant monolayer and the continuous oil phase of lecithin organogels. It was found that by increasing the water quantity, an increase of the polar head area per lecithin molecule was induced, and as a consequence the total interface expanded. It was found that the use of esters as organic solvents induced a decrease of the size of the dispersed structures. The interconnection of the aqueous microdomains and their dynamics were monitored by both static and time-resolved fluorescence quenching spectroscopy using Ru(bipy)32+ as fluorophore and Fe(CN)63- as quencher. It was found that the rates of inter- and/or intra-micellar exchange of water molecules were very slow because they appeared quite immobilized close to the lecithin polar heads. According to the results of the dynamic studies, appropriate organogels were formulated and used to incorporate model bioactive compounds with medicinal or cosmetic interest such as caffeine and theophylline. When these systems were tested for trans-membrane diffusion, they showed a 24 h permeation of 20% and 35%, respectively.

Defining perennial, intermittent and ephemeral channels in eastern Kentucky: application to forestry best management practices

Treesearch

J. R. Svec; R. K. Kolka; J. W. Stringer

2003-01-01

In Kentucky stream classification is used to determine which forestry best management practice (BMP) to apply in riparian zones. Kentucky defines stream classes as follows (Stringer and others 1998): a) perennial streams that hold water throughout the year, b) intermittent streams that hold water during wet portions of the year, and c) ephemeral channels that hold...

40 CFR 261.31 - Hazardous wastes from non-specific sources.

Code of Federal Regulations, 2013 CFR

2013-07-01

....40, § 264.301 or § 265.301. For the purposes of this listing, motor vehicle manufacturing is defined... processing or recycling oil-bearing hazardous secondary materials excluded under § 261.4(a)(12)(i), if those... purposes of the F037 and F038 listings, oil/water/solids is defined as oil and/or water and/or solids. (2...

40 CFR 261.31 - Hazardous wastes from non-specific sources.

Code of Federal Regulations, 2014 CFR

2014-07-01

....40, § 264.301 or § 265.301. For the purposes of this listing, motor vehicle manufacturing is defined... processing or recycling oil-bearing hazardous secondary materials excluded under § 261.4(a)(12)(i), if those... purposes of the F037 and F038 listings, oil/water/solids is defined as oil and/or water and/or solids. (2...

Understanding the General Packing Rearrangements Required for Successful Template Based Modeling of Protein Structure from a CASP Experiment

PubMed Central

Day, Ryan; Joo, Hyun; Chavan, Archana; Lennox, Kristin P.; Chen, Ann; Dahl, David B.; Vannucci, Marina; Tsai, Jerry W.

2012-01-01

As an alternative to the common template based protein structure prediction methods based on main-chain position, a novel side-chain centric approach has been developed. Together with a Bayesian loop modeling procedure and a combination scoring function, the Stone Soup algorithm was applied to the CASP9 set of template based modeling targets. Although the method did not generate as large of perturbations to the template structures as necessary, the analysis of the results gives unique insights into the differences in packing between the target structures and their templates. Considerable variation in packing is found between target and template structures even when the structures are close, and this variation is found due to 2 and 3 body packing interactions. Outside the inherent restrictions in packing representation of the PDB, the first steps in correctly defining those regions of variable packing have been mapped primarily to local interactions, as the packing at the secondary and tertiary structure are largely conserved. Of the scoring functions used, a loop scoring function based on water structure exhibited some promise for discrimination. These results present a clear structural path for further development of a side-chain centered approach to template based modeling. PMID:23266765

Understanding the general packing rearrangements required for successful template based modeling of protein structure from a CASP experiment.

PubMed

Day, Ryan; Joo, Hyun; Chavan, Archana C; Lennox, Kristin P; Chen, Y Ann; Dahl, David B; Vannucci, Marina; Tsai, Jerry W

2013-02-01

As an alternative to the common template based protein structure prediction methods based on main-chain position, a novel side-chain centric approach has been developed. Together with a Bayesian loop modeling procedure and a combination scoring function, the Stone Soup algorithm was applied to the CASP9 set of template based modeling targets. Although the method did not generate as large of perturbations to the template structures as necessary, the analysis of the results gives unique insights into the differences in packing between the target structures and their templates. Considerable variation in packing is found between target and template structures even when the structures are close, and this variation is found due to 2 and 3 body packing interactions. Outside the inherent restrictions in packing representation of the PDB, the first steps in correctly defining those regions of variable packing have been mapped primarily to local interactions, as the packing at the secondary and tertiary structure are largely conserved. Of the scoring functions used, a loop scoring function based on water structure exhibited some promise for discrimination. These results present a clear structural path for further development of a side-chain centered approach to template based modeling. Copyright © 2012 Elsevier Ltd. All rights reserved.

PREDICTION OF TOTAL DISSOLVED GAS EXCHANGE AT HYDROPOWER DAMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hadjerioua, Boualem; Pasha, MD Fayzul K; Stewart, Kevin M

2012-07-01

Total dissolved gas (TDG) supersaturation in waters released at hydropower dams can cause gas bubble trauma in fisheries resulting in physical injuries and eyeball protrusion that can lead to mortality. Elevated TDG pressures in hydropower releases are generally caused by the entrainment of air in spillway releases and the subsequent exchange of atmospheric gasses into solution during passage through the stilling basin. The network of dams throughout the Columbia River Basin (CRB) are managed for irrigation, hydropower production, flood control, navigation, and fish passage that frequently result in both voluntary and involuntary spillway releases. These dam operations are constrained bymore » state and federal water quality standards for TDG saturation which balance the benefits of spillway operations designed for Endangered Species Act (ESA)-listed fisheries versus the degradation to water quality as defined by TDG saturation. In the 1970s, the United States Environmental Protection Agency (USEPA), under the federal Clean Water Act (Section 303(d)), established a criterion not to exceed the TDG saturation level of 110% in order to protect freshwater and marine aquatic life. The states of Washington and Oregon have adopted special water quality standards for TDG saturation in the tailrace and forebays of hydropower facilities on the Columbia and Snake Rivers where spillway operations support fish passage objectives. The physical processes that affect TDG exchange at hydropower facilities have been studied throughout the CRB in site-specific studies and routine water quality monitoring programs. These data have been used to quantify the relationship between project operations, structural properties, and TDG exchange. These data have also been used to develop predictive models of TDG exchange to support real-time TDG management decisions. These empirically based predictive models have been developed for specific projects and account for both the fate of spillway and powerhouse flows in the tailrace channel and resultant exchange in route to the next downstream dam. Currently, there exists a need to summarize the general finding from operational and structural TDG abatement programs conducted throughout the CRB and for the development of a generalized prediction model that pools data collected at multiple projects with similar structural attributes. A generalized TDG exchange model can be tuned to specific projects and coupled with water regulation models to allow the formulation of optimal daily water regulation schedules subject to water quality constraints for TDG supersaturation. A generalized TDG exchange model can also be applied to other hydropower dams that affect TDG pressures in tailraces and can be used to develop alternative operational and structural measures to minimize TDG generation. It is proposed to develop a methodology for predicting TDG levels downstream of hydropower facilities with similar structural properties as a function of a set of variables that affect TDG exchange; such as tailwater depth, spill discharge and pattern, project head, and entrainment of powerhouse releases. TDG data from hydropower facilities located throughout the northwest region of the United States will be used to identify relationships between TDG exchange and relevant dependent variables. Data analysis and regression techniques will be used to develop predictive TDG exchange expressions for various structural categories.« less

Unlocking the relationship of biotic integrity of impaired waters to anthropogenic stresses.

PubMed

Novotny, Vladimir; Bartosová, Alena; O'Reilly, Neal; Ehlinger, Timothy

2005-01-01

The Clean Water Act expressed its goals in terms of restoring and preserving the physical, chemical and biological integrity of the Nation's waters. Integrity has been defined as the ability of the water body's ecological system to support and maintain a balanced integrated, adaptive community of organisms comparable to that of a natural biota of the region. Several indices of biotic integrity (IBIs) have been developed to measure quantitatively the biotic composition and, hence, the integrity. Integrity can be impaired by discharges of pollutants from point and nonpoint sources and by other pollution-related to watershed/landscape and channel stresses, including channel and riparian zone modifications and habitat impairment. Various models that link the stressors to the biotic assessment endpoints, i.e., the IBIs, have been presented and discussed. Simple models that link IBIs directly to single or multiple surrogate stressors such as percent imperviousness are inadequate because they may not represent a true cause-effect proximate relationship. Furthermore, some surrogate landscape parameters are irreversible and the relationships cannot be used for development of plans for restoration of the water body integrity. A concept of a layered hierarchical model that will link the watershed, landscape and stream morphology pollution stressors to the biotic assessment endpoints (IBIs) is described. The key groups of structural components of the model are: IBIs and their metrics in the top layer, chemical water and sediment risks and a habitat quality index in the layer below, in-stream concentrations in water and sediments and channel/habitat impairment parameters in the third layer, and watershed/landscaper pollution generating stressors, land use change rates, and hydrology in the lowest layer of stressors. A modified and expanded Maximum Species Richness concept is developed and used to reveal quantitatively the functional relationships between the top two layers of the structural components and parameters of the model.

Potential effects of coalbed natural gas development on fish and aquatic resources

USGS Publications Warehouse

Farag, Aïda M.; Harper, David D.; Senecal, Anna C.; Hubert, Arthur E.; Reddy, K.J.

2010-01-01

The purpose of this chapter is to provide a summary of issues and findings related to the potential effects of coalbed natural gas (CBNG) development on fish and other aquatic resources. We reviewed CBNG issues from across the United States and used the Powder River Basin of Wyoming as a case study to exemplify some pertinent issues. The quality of water produced during CBNG extraction is quite variable. High total dissolved solids in many CBNG produced waters are of concern relative to fish and other aquatic organisms. Untreated CBNG produced water has the potential to be toxic to fish and aquatic organisms. Of particular concern at some locations in the Powder River basin are elevated concentrations of sodium bicarbonate which have been shown to be toxic to some species of larval fish and aquatic invertebrates. The areas affected by direct toxicity were limited to headwaters and small tributaries studied in the basin. The potential effects of organic compounds used during well drilling and CBNG production on water quality, fish, and aquatic organisms are not well defined. Water produced from CBNG wells that is low in salts or has been treated to remove salts may be discharged into ephemeral or perennially-flowing streams. Higher flows in small streams can enhance erosion and affect habitat for fish and aquatic organisms. In Great Plains rivers, such as the Powder River, fish and aquatic invertebrate communities are structured by extreme environmental conditions. Direct discharge of CBNG produced water during periods of very low or no surface flow may cause shifts in the aquatic community structure. Additional effects of CBNG development on fish and aquatic organisms may stem from road building and pipeline construction, roads crossing streams and ephemeral water courses, the possible spread of invasive organisms, potential spills of toxic substances, and increased harvest of sport fish. 

Water quality

USDA-ARS?s Scientific Manuscript database

Aquatic animals are healthiest and grow best when environmental conditions are within certain ranges that define, for a particular species, “good” water quality. From the outset, successful aquaculture requires a high-quality water supply. Water quality in aquaculture systems also deteriorates as an...

Method for identifying subsurface fluid migration and drainage pathways in and among oil and gas reservoirs using 3-D and 4-D seismic imaging

DOEpatents

Anderson, R.N.; Boulanger, A.; Bagdonas, E.P.; Xu, L.; He, W.

1996-12-17

The invention utilizes 3-D and 4-D seismic surveys as a means of deriving information useful in petroleum exploration and reservoir management. The methods use both single seismic surveys (3-D) and multiple seismic surveys separated in time (4-D) of a region of interest to determine large scale migration pathways within sedimentary basins, and fine scale drainage structure and oil-water-gas regions within individual petroleum producing reservoirs. Such structure is identified using pattern recognition tools which define the regions of interest. The 4-D seismic data sets may be used for data completion for large scale structure where time intervals between surveys do not allow for dynamic evolution. The 4-D seismic data sets also may be used to find variations over time of small scale structure within individual reservoirs which may be used to identify petroleum drainage pathways, oil-water-gas regions and, hence, attractive drilling targets. After spatial orientation, and amplitude and frequency matching of the multiple seismic data sets, High Amplitude Event (HAE) regions consistent with the presence of petroleum are identified using seismic attribute analysis. High Amplitude Regions are grown and interconnected to establish plumbing networks on the large scale and reservoir structure on the small scale. Small scale variations over time between seismic surveys within individual reservoirs are identified and used to identify drainage patterns and bypassed petroleum to be recovered. The location of such drainage patterns and bypassed petroleum may be used to site wells. 22 figs.

Method for identifying subsurface fluid migration and drainage pathways in and among oil and gas reservoirs using 3-D and 4-D seismic imaging

DOEpatents

Anderson, Roger N.; Boulanger, Albert; Bagdonas, Edward P.; Xu, Liqing; He, Wei

1996-01-01

The invention utilizes 3-D and 4-D seismic surveys as a means of deriving information useful in petroleum exploration and reservoir management. The methods use both single seismic surveys (3-D) and multiple seismic surveys separated in time (4-D) of a region of interest to determine large scale migration pathways within sedimentary basins, and fine scale drainage structure and oil-water-gas regions within individual petroleum producing reservoirs. Such structure is identified using pattern recognition tools which define the regions of interest. The 4-D seismic data sets may be used for data completion for large scale structure where time intervals between surveys do not allow for dynamic evolution. The 4-D seismic data sets also may be used to find variations over time of small scale structure within individual reservoirs which may be used to identify petroleum drainage pathways, oil-water-gas regions and, hence, attractive drilling targets. After spatial orientation, and amplitude and frequency matching of the multiple seismic data sets, High Amplitude Event (HAE) regions consistent with the presence of petroleum are identified using seismic attribute analysis. High Amplitude Regions are grown and interconnected to establish plumbing networks on the large scale and reservoir structure on the small scale. Small scale variations over time between seismic surveys within individual reservoirs are identified and used to identify drainage patterns and bypassed petroleum to be recovered. The location of such drainage patterns and bypassed petroleum may be used to site wells.

Application of two-dimensional NMR spectroscopy and molecular dynamics simulations to the conformational analysis of oligosaccharides corresponding to the cell-wall polysaccharide of Streptococcus group A.

PubMed

Kreis, U C; Varma, V; Pinto, B M

1995-06-01

This paper describes the use of a protocol for conformational analysis of oligosaccharide structures related to the cell-wall polysaccharide of Streptococcus group A. The polysaccharide features a branched structure with an L-rhamnopyranose (Rhap) backbone consisting of alternating alpha-(1-->2) and alpha-(1-->3) links and D-N-acetylglucosamine (GlcpNAc) residues beta-(1-->3)-connected to alternating rhamnose rings: [formula: see text] Oligomers consisting of three to six residues have been synthesized and nuclear magnetic resonance (NMR) assignments have been made. The protocol for conformational analysis of the solution structure of these oligosaccharides involves experimental and theoretical methods. Two-dimensional NMR spectroscopy methods (TOCSY, ROESY and NOESY) are utilized to obtain chemical shift data and proton-proton distances. These distances are used as constraints in 100 ps molecular dynamics simulations in water using QUANTA and CHARMm. In addition, the dynamics simulations are performed without constraints. ROE build-up curves are computed from the averaged structures of the molecular dynamics simulations using the CROSREL program and compared with the experimental curves. Thus, a refinement of the initial structure may be obtained. The alpha-(1-->2) and the beta-(1-->3) links are unambiguously defined by the observed ROE cross peaks between the A-B',A'-B and C-B,C'-B' residues, respectively. The branch-point of the trisaccharide CBA' is conformationally well-defined. Assignment of the conformation of the B-A linkage (alpha-(1-->3)) was problematic due to TOCSY relay, but could be solved by NOESY and T-ROESY techniques. A conformational model for the polysaccharide is proposed.

Characterization and analysis of temporal and spatial variations in habitat and macroinvertebrate community structure, Fountain Creek basin, Colorado Springs and vicinity, Colorado, 1998-2001

USGS Publications Warehouse

Bruce, James F.

2002-01-01

The Fountain Creek Basin in and around Colorado Springs, Colorado, is affected by various land- and water-use activities. Biological, hydrological, water-quality, and land-use data were collected at 10 sites in the Fountain Creek Basin from April 1998 through April 2001 to provide a baseline characterization of macroinvertebrate communities and habitat conditions for comparison in subsequent studies; and to assess variation in macroinvertebrate community structure relative to habitat quality. Analysis of variance results indicated that instream and riparian variables were not affected by season, but significant differences were found among sites. Nine metrics were used to describe and evaluate macroinvertebrate community structure. Statistical analysis indicated that for six of the nine metrics, significant variability occurred between spring and fall seasons for 60 percent of the sites. Cluster analysis (unweighted pair group method average) using macroinvertebrate presence-absence data showed a well-defined separation between spring and fall samples. Six of the nine metrics had significant spatial variation. Cluster analysis using Sorenson?s Coefficient of Community values computed from macroinvertebrate density (number of organisms per square meter) data showed that macroinvertebrate community structure was more similar among tributary sites than main-stem sites. Canonical correspondence analysis identified a substrate particle-size gradient from site-specific species-abundance data and environmental correlates that decreased the 10 sites to 5 site clusters and their associated taxa.

Integrating conflict analysis and consensus reaching in a decision support system for water resource management.

PubMed

Giordano, R; Passarella, G; Uricchio, V F; Vurro, M

2007-07-01

The importance of shared decision processes in water management derives from the awareness of the inadequacy of traditional--i.e. engineering--approaches in dealing with complex and ill-structured problems. It is becoming increasingly obvious that traditional problem solving and decision support techniques, based on optimisation and factual knowledge, have to be combined with stakeholder based policy design and implementation. The aim of our research is the definition of an integrated decision support system for consensus achievement (IDSS-C) able to support a participative decision-making process in all its phases: problem definition and structuring, identification of the possible alternatives, formulation of participants' judgments, and consensus achievement. Furthermore, the IDSS-C aims at structuring, i.e. systematising the knowledge which has emerged during the participative process in order to make it comprehensible for the decision-makers and functional for the decision process. Problem structuring methods (PSM) and multi-group evaluation methods (MEM) have been integrated in the IDSS-C. PSM are used to support the stakeholders in providing their perspective of the problem and to elicit their interests and preferences, while MEM are used to define not only the degree of consensus for each alternative, highlighting those where the agreement is high, but also the consensus label for each alternative and the behaviour of individuals during the participative decision-making. The IDSS-C is applied experimentally to a decision process regarding the use of treated wastewater for agricultural irrigation in the Apulia Region (southern Italy).

EnviroAtlas - Memphis, TN - Tree Cover Configuration and Connectivity, Water Background

EPA Pesticide Factsheets

This EnviroAtlas dataset categorizes forest land cover into structural elements (e.g. core, edge, connector, etc.). Forest is defined as Trees & Forest and Woody Wetlands. Water was considered background (value 129) during the analysis to create this dataset, however it has been converted into value 10 to distinguish it from land area background. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

Changing environments or shifting paradigms? Strategic decision making toward water protection in Helsinki, 1850-2000.

PubMed

Laakkonen, Simo; Laurila, Sari

2007-04-01

The study examines the history of strategic decision-making concerning water protection in Helsinki, 1850-2000. We identified five major strategic decisions that occurred during the study period. The results indicate that strategic decision-making evolves in long-term policy cycles that last on average 20-30 years. New policy cycles are caused by paradigm shifts. Paradigms are shared and predominant ways of understanding reality that help when groups must act to solve common and complex environmental problems. However the internal structure and external dynamics of paradigms are contradictory. Although paradigms serve initially as means to redefine problems and find creative solutions, as time goes by each paradigm seems to become also a barrier that restricts the introduction of new ways of thinking and acting. The power of paradigms lies in the fact that they can be defined as scientific but also social, political, or cultural agreements depending on the context.

Local-order metric for condensed-phase environments

NASA Astrophysics Data System (ADS)

Martelli, Fausto; Ko, Hsin-Yu; Oǧuz, Erdal C.; Car, Roberto

2018-02-01

We introduce a local order metric (LOM) that measures the degree of order in the neighborhood of an atomic or molecular site in a condensed medium. The LOM maximizes the overlap between the spatial distribution of sites belonging to that neighborhood and the corresponding distribution in a suitable reference system. The LOM takes a value tending to zero for completely disordered environments and tending to one for environments that perfectly match the reference. The site-averaged LOM and its standard deviation define two scalar order parameters, S and δ S , that characterize with excellent resolution crystals, liquids, and amorphous materials. We show with molecular dynamics simulations that S , δ S , and the LOM provide very insightful information in the study of structural transformations, such as those occurring when ice spontaneously nucleates from supercooled water or when a supercooled water sample becomes amorphous upon progressive cooling.

In Vitro Self-Assembly of the Light Harvesting Pigment-Protein LH2 Revealed by Ultrafast Spectroscopy and Electron Microscopy

PubMed Central

Schubert, Axel; Stenstam, Anna; Beenken, Wichard J. D.; Herek, Jennifer L.; Cogdell, Richard; Pullerits, Tõnu; Sundström, Villy

2004-01-01

Controlled ensemble formation of protein-surfactant systems provides a fundamental concept for the realization of nanoscale devices with self-organizing capability. In this context, spectroscopic monitoring of pigment-containing proteins yields detailed structural information. Here we have studied the association behavior of the bacterial light-harvesting protein LH2 from Rhodobacter spheroides in an n,n-dimethyldodecylamine-n-oxide/water environment. Time-resolved studies of the excitation annihilation yielded information about aggregate sizes and packing of the protein complexes therein. The results are compared to transmission electron microscopy images of instantaneously frozen samples. Our data indicate the manifestation of different phases, which are discussed with respect to the thermodynamic equilibrium in ternary protein-surfactant-water systems. Accordingly, by varying the concentration the formation of different types of aggregates can be controlled. Conditions for the appearance of isolated LH2 complexes are defined. PMID:15041674

Seawater infiltration effect on thermal degradation of fiber reinforced epoxy composites

NASA Astrophysics Data System (ADS)

Ibrahim, Mohd Haziq Izzuddin bin; Hassan, Mohamad Zaki bin; Ibrahim, Ikhwan; Rashidi, Ahmad Hadi Mohamed; Nor, Siti Fadzilah M.; Daud, Mohd Yusof Md

2018-05-01

Seawater salinity has been associated with the reduction of polymer structure durability. The aim of this study is to investigate the change in thermal degradation of fiber reinforced epoxy composite due to the presence of seawater. Carbon fiber, carbon/kevlar, fiberglass, and jute that reinforced with epoxy resin was laminated through hand-layup technique. Initially, these specimen was sectioned to 5×5 mm dimension, then immersed in seawater and distilled water at room temperature until it has thoroughly saturated. Following, the thermal degradation analysis using Differential Scanning Calorimetry (DSC), the thermic changes due to seawater infiltration was defined. The finding shows that moisture absorption reduces the glass transition temperature (Tg) of fiber reinforced epoxy composite. However, the glass transition temperature (Tg) of seawater infiltrated laminate composite is compareable with distilled water infiltrated laminate composite. The carbon fiber reinfored epoxy has the highest glass transition temperature out of all specimen.

Reconnaissance electrical surveys in the Coso Range, California

NASA Astrophysics Data System (ADS)

Jackson, Dallas B.; O'Donnell, James E.

1980-05-01

Telluric current, audiomagnetotelluric (AMT), and direct current (dc) methods were used to study the electrical structure of the Coso Range and Coso geothermal area. Telluric current mapping outlined major resistivity lows associated with conductive valley fill of the Rose Valley basin, the Coso Basin, and the northern extension of the Coso Basin east of Coso Hot Springs. A secondary resistivity low with a north-south trend runs through the Coso Hot Springs-Devil's Kitchen geothermal area. The secondary low in the geothermal area, best defined by the 7.5-Hz AMT map and dc soundings, is caused by a shallow conductive zone (5-30 ohm m) interpreted to be hydrothermally altered Sierra Nevada basement rocks containing saline water of a hot water geothermal system. This zone of lowest apparent resistivities over the basement rocks lies within a closed contour of a heat flow anomaly where all values are greater than 10 heat flow units.

Export of Strongly Diluted Greenland Meltwater From a Major Glacial Fjord

NASA Astrophysics Data System (ADS)

Beaird, Nicholas L.; Straneo, Fiammetta; Jenkins, William

2018-05-01

The Greenland Ice Sheet has been, and will continue, losing mass at an accelerating rate. The influence of this anomalous meltwater discharge on the regional and large-scale ocean could be considerable but remains poorly understood. This uncertainty is in part a consequence of challenges in observing water mass transformation and meltwater spreading in coastal Greenland. Here we use tracer observations that enable unprecedented quantification of the export, mixing, and vertical distribution of meltwaters leaving one of Greenland's major glacial fjords. We find that the primarily subsurface meltwater input results in the upwelling of the deep fjord waters and an export of a meltwater/deepwater mixture that is 30 times larger than the initial meltwater release. Using these tracer data, the vertical structure of Greenland's summer meltwater export is defined for the first time showing that half the meltwater export occurs below 65 m.

Kinetics of dodecanoic acid adsorption from caustic solution by activated carbon.

PubMed

Pendleton, Phillip; Wu, Sophie Hua

2003-10-15

This study examines the influences of adsorbent porosity and surface chemistry and of carbon dosage on dodecanoic acid adsorption kinetics from aqueous and 2 M NaOH solutions as batch adsorption processes. Both adsorbents are steam-activated carbons prepared from either coconut or coal precursors. Prior to use the adsorbents were washed in deionized water or 2 M NaOH. Mass transfer coefficients and effective overall diffusion coefficients indicate a minor contribution from adsorbent porosity. In contrast, high surface oxygen content impedes transport to and into the adsorbent structure. Carbon dosage shows a proportional increase in transport coefficients with increasing mass; these coefficients are constant when normalized per unit mass. Neither water nor NaOH treatment of the adsorbents has a significant influence on dodecanoic acid adsorption kinetics. Molecular and Knudsen diffusion coefficients are defined to demonstrate that the overall effective diffusion coefficient values and the diffusion process are controlled by surface diffusion.

Layer-by-layer cell membrane assembly

NASA Astrophysics Data System (ADS)

Matosevic, Sandro; Paegel, Brian M.

2013-11-01

Eukaryotic subcellular membrane systems, such as the nuclear envelope or endoplasmic reticulum, present a rich array of architecturally and compositionally complex supramolecular targets that are as yet inaccessible. Here we describe layer-by-layer phospholipid membrane assembly on microfluidic droplets, a route to structures with defined compositional asymmetry and lamellarity. Starting with phospholipid-stabilized water-in-oil droplets trapped in a static droplet array, lipid monolayer deposition proceeds as oil/water-phase boundaries pass over the droplets. Unilamellar vesicles assembled layer-by-layer support functional insertion both of purified and of in situ expressed membrane proteins. Synthesis and chemical probing of asymmetric unilamellar and double-bilayer vesicles demonstrate the programmability of both membrane lamellarity and lipid-leaflet composition during assembly. The immobilized vesicle arrays are a pragmatic experimental platform for biophysical studies of membranes and their associated proteins, particularly complexes that assemble and function in multilamellar contexts in vivo.

Replica Exchange with Solute Tempering: Efficiency in Large Scale Systems

PubMed Central

Huang, Xuhui; Hagen, Morten; Kim, Byungchan; Friesner, Richard A.; Zhou, Ruhong; Berne, B. J.

2009-01-01

We apply the recently developed replica exchange with solute tempering (REST) to three large solvated peptide systems: an α-helix, a β-hairpin, and a TrpCage, with these peptides defined as the “central group”. We find that our original implementation of REST is not always more efficient than the replica exchange method (REM). Specifically, we find that exchanges between folded (F) and unfolded (U) conformations with vastly different structural energies are greatly reduced by the nonappearance of the water self-interaction energy in the replica exchange acceptance probabilities. REST, however, is expected to remain useful for a large class of systems for which the energy gap between the two states is not large, such as weakly bound protein–ligand complexes. Alternatively, a shell of water molecules can be incorporated into the central group, as discussed in the original paper. PMID:17439169

X-ray structures define human P2X(3) receptor gating cycle and antagonist action.

PubMed

Mansoor, Steven E; Lü, Wei; Oosterheert, Wout; Shekhar, Mrinal; Tajkhorshid, Emad; Gouaux, Eric

2016-10-06

P2X receptors are trimeric, non-selective cation channels activated by ATP that have important roles in the cardiovascular, neuronal and immune systems. Despite their central function in human physiology and although they are potential targets of therapeutic agents, there are no structures of human P2X receptors. The mechanisms of receptor desensitization and ion permeation, principles of antagonism, and complete structures of the pore-forming transmembrane domains of these receptors remain unclear. Here we report X-ray crystal structures of the human P2X 3 receptor in apo/resting, agonist-bound/open-pore, agonist-bound/closed-pore/desensitized and antagonist-bound/closed states. The open state structure harbours an intracellular motif we term the 'cytoplasmic cap', which stabilizes the open state of the ion channel pore and creates lateral, phospholipid-lined cytoplasmic fenestrations for water and ion egress. The competitive antagonists TNP-ATP and A-317491 stabilize the apo/resting state and reveal the interactions responsible for competitive inhibition. These structures illuminate the conformational rearrangements that underlie P2X receptor gating and provide a foundation for the development of new pharmacological agents.

Geology and water resources of Owens Valley, California

USGS Publications Warehouse

Hollett, Kenneth J.; Danskin, Wesley R.; McCaffrey, William F.; Walti, Caryl L.

1991-01-01

Owens Valley, a long, narrow valley located along the east flank of the Sierra Nevada in east-central California, is the main source of water for the city of Los Angeles. The city diverts most of the surface water in the valley into the Owens River-Los Angeles Aqueduct system, which transports the water more than 200 miles south to areas of distribution and use. Additionally, ground water is pumped or flows from wells to supplement the surface-water diversions to the river-aqueduct system. Pumpage from wells needed to supplement water export has increased since 1970, when a second aqueduct was put into service, and local concerns have been expressed that the increased pumpage may have had a detrimental effect on the environment and the indigenous alkaline scrub and meadow plant communities in the valley. The scrub and meadow communities depend on soil moisture derived from precipitation and the unconfined part of a multilayered aquifer system. This report, which describes the hydrogeology of the aquifer system and the water resources of the valley, is one in a series designed to (1) evaluate the effects that groundwater pumping has on scrub and meadow communities and (2) appraise alternative strategies to mitigate any adverse effects caused by, pumping. Two principal topographic features are the surface expression of the geologic framework--the high, prominent mountains on the east and west sides of the valley and the long, narrow intermountain valley floor. The mountains are composed of sedimentary, granitic, and metamorphic rocks, mantled in part by volcanic rocks as well as by glacial, talus, and fluvial deposits. The valley floor is underlain by valley fill that consists of unconsolidated to moderately consolidated alluvial fan, transition-zone, glacial and talus, and fluvial and lacustrine deposits. The valley fill also includes interlayered recent volcanic flows and pyroclastic rocks. The bedrock surface beneath the valley fill is a narrow, steep-sided graben that is structurally separated into the Bishop Basin to the north and the Owens Lake Basin to the south. These two structural basins are separated by (1) a bedrock high that is the upper bedrock block of an east-west normal fault, (2) a horst block of bedrock (the Poverty Hills), and (3) Quaternary basalt flows and cinder cones that intercalate and intrude the sedimentary deposits of the valley fill. The resulting structural separation of the basins allowed separate development of fluvial and lacustrine depositional systems in each basin. Nearly all the ground water in Owens Valley flows through and is stored in the saturated valley fill. The bedrock, which surrounds and underlies the valley fill, is virtually impermeable. Three hydrogeologic units compose the valley-fill aquifer system, a defined subdivision of the ground-water system, and a fourth represents the valley fill below the aquifer system and above the bedrock. The aquifer system is divided into horizontal hydrogeologic units on the basis of either (1) uniform hydrologic characteristics of a specific lithologic layer or (2) distribution of the vertical hydraulic head. Hydrogeologic unit 1 is the upper unit and represents the unconfined part of the system, hydrogeologic unit 2 represents the confining unit (or units), and hydrogeologic unit 3 represents the confined part of the aquifer system. Hydrogeologic unit 4 represents the deep part of the ground-water system and lies below the aquifer system. Hydrogeologic unit 4 transmits or stores much less water than hydrogeologic unit 3 and represents either a moderately consolidated valley fill or a geologic unit in the valley fill defined on the basis of geophysical data. Nearly all the recharge to the aquifer system is from infiltration of runoff from snowmelt and rainfall on the Sierra Nevada. In contrast, little recharge occurs to the system by runoff from the White and Inyo Mountains or from direct precipitation on the valley floor. Ground wat

Particle size analysis of some water/oil/water multiple emulsions.

PubMed

Ursica, L; Tita, D; Palici, I; Tita, B; Vlaia, V

2005-04-29

Particle size analysis gives useful information about the structure and stability of multiple emulsions, which are important characteristics of these systems. It also enables the observation of the growth process of particles dispersed in multiple emulsions, accordingly, the evolution of their dimension in time. The size of multiple particles in the seven water/oil/water (W/O/W) emulsions was determined by measuring the particles size observed during the microscopic examination. In order to describe the distribution of the size of multiple particles, the value of two parameters that define the particle size was calculated: the arithmetical mean diameter and the median diameter. The results of the particle size analysis in the seven multiple emulsions W/O/W studied are presented as histograms of the distribution density immediately, 1 and 3 months after the preparation of each emulsion, as well as by establishing the mean and the median diameter of particles. The comparative study of the distribution histograms and of the mean and median diameters of W/O/W multiple particles indicates that the prepared emulsions are fine and very fine dispersions, stable, and presenting a growth of the abovementioned diameters during the study.

Generalized EC&LSS computer program configuration control

NASA Technical Reports Server (NTRS)

Blakely, R. L.

1976-01-01

The generalized environmental control and life support system (ECLSS) computer program (G189A) simulation of the shuttle orbiter ECLSS was upgraded. The G189A component model configuration was changed to represent the current PV102 and subsequent vehicle ECLSS configurations as defined by baseline ARS and ATCS schematics. The diagrammatic output schematics of the gas, water, and freon loops were also revised to agree with the new ECLSS configuration. The accuracy of the transient analysis was enhanced by incorporating the thermal mass effects of the equipment, structure, and fluid in the ARS gas and water loops and in the ATCS freon loops. The sources of the data used to upgrade the simulation are: (1) ATCS freon loop line sizes and lengths; (2) ARS water loop line sizes and lengths; (3) ARS water loop and ATCS freon loop component and equipment weights; and (4) ARS cabin and avionics bay thermal capacitance and conductance values. A single G189A combination master program library tape was generated which contains all of the master program library versions which were previously maintained on separate tapes. A new component subroutine, PIPETL, was developed and incorporated into the G189A master program library.

Annual compilation and analysis of hydrologic data for Escondido Creek, San Antonio River basin, Texas

USGS Publications Warehouse

Reddy, D.R.

1971-01-01

IntroductionHistory of Small Watershed Projects in TexasThe U.S. Soil Conservation Service is actively engaged in the installation of flood and soil erosion reducing measures in Texas under the authority of the "Flood Control Act of 1936 and 1944" and "Watershed Protection and Flood Prevention Act" (Public Law 566), as amended. The Soil Conservation Service has found a total of approximately 3,500 floodwater-retarding structures to be physically and economically feasible in Texas. As of September 30, 1970, 1,439 of these structures had been built.This watershed-development program will have varying but important effects on the surface and ground-water resources of river basins, especially where a large number of the floodwater-retarding structures are built. Basic hydrologic data under natural and developed conditions are needed to appraise the effects of the structures on the yield and mode of occurrence of runoff.Hydrologic investigations of these small watersheds were begun by the Geological Survey in 1951 and are now being made in 12 study areas (fig. 1). These investigations are being made in cooperation with the Texas Water Development Board, the Soil Conservation Service, the San Antonio River Authority, the city of Dallas, and the Tarrant County Water Control and Improvement District No. 1. The 12 study areas were chosen to sample watershed having different rainfall, topography, geology, and soils. In five of the study areas, (North, Little Elm, Mukewater, little Pond-North Elm, and Pin Oak Creeks), streamflow and rainfall records were collected prior to construction of the floodwater-retarding structures, thus affording the opportunity for analyses of the conditions "before and after" development. A summary of the development of the floodwater-retarding structures in each study areas of September 30, 1970, is shown in table 1.Objectives of the Texas Small Watersheds ProjectThe purpose of these investigations is to collect sufficient data to meeting the following objectives:To determine the net effect of floodwater-retarding structures on the regimen of streamflow at downstream points.To determine the effectiveness of the structures as ground-water recharge facilities.To determine the effect of the structures on the sediment yield at downstream points.To develop relationships between maximum rates and/or volumes of runoff with rainfall in small natural watersheds.To develop a stream-system model for basins with floodwater-retarding structures.To determine the minimum instrumentation necessary for estimating the flood hydrographs below a system of structures, as needed for downstream water-management operation.Purpose and Scope of this Basic-Data ReportThis report, which is the tenth in a series of basic-data reports published annually for the Escondido Creek study area, contains the rainfall, runoff, and storage data collected during the 1970 water year for the 72.4-square-mile area above the stream-gaging station Escondido Creek at Kenedy, Texas. The location of floodwater-retarding structures and hydrologic-instrument installations in the Escondido Creek study area are shown on figure 2.This investigation is scheduled to continue through a period of both above- and below-normal precipitation to define the various factors used in the analyses of rainfall-runoff relationship.To facilitate the publication and distribution of this report at the earliest feasible time, certain material contained herein does not conform to the formal publication standards of the U.S. Geological Survey.

Exploration and exploitation of water in colloidal crystals.

PubMed

Gallego-Gómez, Francisco; Blanco, Alvaro; López, Cefe

2015-05-06

Water on solid surfaces is ubiquitously found in nature, in most cases due to mere adsorption from ambient moisture. Because porous structures have large surfaces, water may significantly affect their characteristics. This is particularly obvious in systems formed by separate particles, whose interactions are strongly influenced by small amounts of liquid. Water/solid phenomena, like adsorption, condensation, capillary forces, or interparticle cohesion, have typically been studied at relatively large scales down to the microscale, like in wet granular media. However, much less is known about how water is confined and acts at the nanoscale, for example, in the interstices of divided systems, something of utmost importance in many areas of materials science nowadays. With novel approaches, in-depth investigations as to where and how water is placed in the nanometer-sized pores of self-assembled colloidal crystals have been made, which are employed as a well-defined, versatile model system with useful optical properties. In this Progress Report, knowledge gained in the last few years about water distribution in such nanoconfinements is gathered, along with how it can be controlled and the consequences it brings about to extract new or enhance existing material functionalities. New methods developed and new capabilities of standard techniques are described, and the water interplay with the optical, chemical, and mechanical properties of the ensemble are discussed. Some lines for applicability are also highlighted and aspects to be addressed in the near future are critically summarized. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using SRμCT to define water transport capacity in Picea abies

NASA Astrophysics Data System (ADS)

Lautner, Silke; Lenz, Claudia; Hammel, Jörg; Moosmann, Julian; Kühn, Michael; Caselle, Michele; Vogelgesang, Matthias; Kopmann, Andreas; Beckmann, Felix

2017-10-01

Water transport from roots to shoots is a vital necessity in trees in order to sustain their photosynthetic activity and, hence, their physiological activity. The vascular tissue in charge is the woody body of root, stem and branches. In gymnosperm trees, like spruce trees (Picea abies (L.) Karst.), vascular tissue consists of tracheids: elongated, protoplast- free cells with a rigid cell wall that allow for axial water transport via their lumina. In order to analyze the over-all water transport capacity within one growth ring, time-consuming light microscopy analysis of the woody sample still is the conventional approach for calculating tracheid lumen area. In our investigations at the Imaging Beamline (IBL) operated by the Helmholtz-Zentrum Geesthacht (HZG) at PETRA III storage ring of the Deutsches Elektronen-Synchrotron DESY, Hamburg, we applied SRμCT on small wood samples of spruce trees in order to visualize and analyze size and formation of xylem elements and their respective lumina. The selected high-resolution phase-contrast technique makes full use of the novel 20 MPixel CMOS area detector developed within the cooperation of HZG and the Karlsruhe data by light microscopy analysis and, hence, prove, that μCT is a most appropriate method to gain valid information on xylem cell structure and tree water transport capacity.

Process for structural geologic analysis of topography and point data

DOEpatents

Eliason, Jay R.; Eliason, Valerie L. C.

1987-01-01

A quantitative method of geologic structural analysis of digital terrain data is described for implementation on a computer. Assuming selected valley segments are controlled by the underlying geologic structure, topographic lows in the terrain data, defining valley bottoms, are detected, filtered and accumulated into a series line segments defining contiguous valleys. The line segments are then vectorized to produce vector segments, defining valley segments, which may be indicative of the underlying geologic structure. Coplanar analysis is performed on vector segment pairs to determine which vectors produce planes which represent underlying geologic structure. Point data such as fracture phenomena which can be related to fracture planes in 3-dimensional space can be analyzed to define common plane orientation and locations. The vectors, points, and planes are displayed in various formats for interpretation.

Water and Carbon Footprints for Sustainability Analysis of Urban Infrastructure

EPA Science Inventory

Water and transportation infrastructures define spatial distribution of urban population and economic activities. In this context, energy and water consumed per capita are tangible measures of how efficient water and transportation systems are constructed and operated. At a hig...

40 CFR 130.3 - Water quality standards.

Code of Federal Regulations, 2010 CFR

2010-07-01

... QUALITY PLANNING AND MANAGEMENT § 130.3 Water quality standards. A water quality standard (WQS) defines the water quality goals of a water body, or portion thereof, by designating the use or uses to be made... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Water quality standards. 130.3 Section...

75 FR 19948 - Notice of Intent To Prepare an Environmental Impact Statement for the Missouri River Authorized...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-16

..., recreation, water quality, and water supply. Public scoping for the MRAPS will begin in late May 2010. Future..., irrigation, navigation, power, recreation, water quality, and water supply. Section 108 of the Energy and... and wildlife, irrigation, power, recreation, water supply, and water quality control; defining the...

Structure Measurements of Leaf and Woody Components of Forests with Dual-Wavelength Lidar Scanning Data

NASA Astrophysics Data System (ADS)

Strahler, A. H.; Li, Z.; Schaaf, C.; Howe, G.; Martel, J.; Hewawasam, K.; Douglas, E. S.; Chakrabarti, S.; Cook, T.; Paynter, I.; Saenz, E. J.; Wang, Z.; Woodcock, C. E.; Jupp, D. L. B.; Schaefer, M.; Newnham, G.

2014-12-01

Forest structure plays a critical role in the exchange of energy, carbon and water between land and atmosphere and nutrient cycle. We can provide detailed forest structure measurements of leaf and woody components with the Dual Wavelength Echidna® Lidar (DWEL), which acquires full-waveform scans at both near-infrared (NIR, 1064 nm) and shortwave infrared (SWIR, 1548 nm) wavelengths from simultaneous laser pulses. We collected DWEL scans at a broadleaf forest stand and a conifer forest stand at Harvard Forest in June 2014. Power returned from leaves is much lower than from woody materials such as trunks and branches at the SWIR wavelength due to the liquid water absorption by leaves, whereas returned power at the NIR wavelength is similar from both leaves and woody materials. We threshold a normalized difference index (NDI), defined as the difference between returned power at the two wavelengths divided by their sum, to classify each return pulse as a leaf or trunk/branch hit. We obtain leaf area index (LAI), woody area index (WAI) and vertical profiles of leaf and woody components directly from classified lidar hits without empirical wood-to-total ratios as are commonly used in optical methods of LAI estimation. Tree heights, diameter at breast height (DBH), and stem count density are the other forest structure parameters estimated from our DWEL scans. The separation of leaf and woody components in tandem with fine-scale forest structure measurements will benefit studies on carbon allocation of forest ecosystems and improve our understanding of the effects of forest structure on ecosystem functions. This research is supported by NSF grant, MRI-0923389

Analysis of zinc binding sites in protein crystal structures.

PubMed

Alberts, I L; Nadassy, K; Wodak, S J

1998-08-01

The geometrical properties of zinc binding sites in a dataset of high quality protein crystal structures deposited in the Protein Data Bank have been examined to identify important differences between zinc sites that are directly involved in catalysis and those that play a structural role. Coordination angles in the zinc primary coordination sphere are compared with ideal values for each coordination geometry, and zinc coordination distances are compared with those in small zinc complexes from the Cambridge Structural Database as a guide of expected trends. We find that distances and angles in the primary coordination sphere are in general close to the expected (or ideal) values. Deviations occur primarily for oxygen coordinating atoms and are found to be mainly due to H-bonding of the oxygen coordinating ligand to protein residues, bidentate binding arrangements, and multi-zinc sites. We find that H-bonding of oxygen containing residues (or water) to zinc bound histidines is almost universal in our dataset and defines the elec-His-Zn motif. Analysis of the stereochemistry shows that carboxyl elec-His-Zn motifs are geometrically rigid, while water elec-His-Zn motifs show the most geometrical variation. As catalytic motifs have a higher proportion of carboxyl elec atoms than structural motifs, they provide a more rigid framework for zinc binding. This is understood biologically, as a small distortion in the zinc position in an enzyme can have serious consequences on the enzymatic reaction. We also analyze the sequence pattern of the zinc ligands and residues that provide elecs, and identify conserved hydrophobic residues in the endopeptidases that also appear to contribute to stabilizing the catalytic zinc site. A zinc binding template in protein crystal structures is derived from these observations.

Water color and circulation southern Chesapeake Bay, part 1

NASA Technical Reports Server (NTRS)

Nichols, M. M.; Gordon, H. H.

1975-01-01

Satellite imagery from two EREP passes over the Rappahannock Estuary of the Chesapeake region is analyzed to chart colored water types, to delineate color boundaries and define circulatory patterns. Surface observations from boats and helicopters concurrent with Skylab overpass define the distributions of suspended sediment, transparency, temperature, salinity, phytoplankton, color of suspended material and optical ratio. Important features recorded by the imagery are a large-scale turbidity maximum and massive red tide blooms. Water movement is revealed by small-scale mixing patterns and tidal plumes of apparent sediment-laden water. The color patterns broadly reflect the bottom topography and the seaward gradient of suspended material between the river and the bay. Analyses of red, green and natural color photos by microdensitometry demonstrate the utility of charting water color types of potential use for managing estuarine water quality. The Skylab imagery is superior to aerial photography and surface observations for charting water color.

Evaluating benefits and costs of changes in water quality.

Treesearch

Jessica Koteen; Susan J. Alexander; John B. Loomis

2002-01-01

Water quality affects a variety of uses, such as municipal water consumption and recreation. Changes in water quality can influence the benefits water users receive. The problem is how to define water quality for specific uses. It is not possible to come up with one formal definition of water quality that fits all water uses. There are many parameters that influence...

Gauging leaf-level contributions to landscape-level water loss within a Western US dryland fores

NASA Astrophysics Data System (ADS)

Murphy, P.; Potts, D. L.; Minor, R. L.; Hamerlynck, E. P.; Sutter, L., Jr.; Barron-Gafford, G.

2017-12-01

Western US forests represent a large constituent of the North American water and carbon cycles, yet the primary controls on water loss from these ecosystems remains unknown. In dryland forests, such as those found in the Southwestern US, water availability is key to ecosystem function, and the timing and magnitude of water loss can have lasting effects on the health of these communities. One poorly defined part of the water balance in these forests is the partitioning of evapotranspiration (ET) into evaporation (E; blue flow) to transpiration (T; green flow). A study of water fluxes at multiple scales in a semiarid montane forest in Southern Arizona speaks to the partitioning of these two water flows. Within the footprint of an eddy covariance system, which estimates ecosystem ET, we have examined the impacts of variation in climate, species makeup, and topographic position on E and T. This was done using leaf-level measures of T, pedon-scale measures of E, and whole-tree water loss by way of sap flux sensors. Where available, we have examined E, T, and ET fluxes across multiple seasons and years of highly variable precipitation records. Understanding the partitioning of ET is crucial, considering that projected changes to dryland ecosystems include longer periods of drought separated by heavier precipitation events. At a moment when potential impacts of changing climate on dryland structure and function are poorly understood, a stronger comprehension of these blue and green water flows is necessary to forecast the productivity of Western US forests into the future.

Thermosensitive behavior of poly(ethylene glycol)-based block copolymer (PEG-b-PADMO) controlled via self-assembled microstructure.

PubMed

Cui, Qianling; Wu, Feipeng; Wang, Erjian

2011-05-19

Stimuli-responsive, well-defined diblock copolymers (PEG-b-PADMO) comprising poly(ethylene glycol) (PEG, DP (degree of polymerization)=45) as the hydrophilic and temperature-sensitive part and poly(N-acryloyl-2,2-dimethyl-1,3-oxazolidine) (PADMO, DP=18-47) as the hydrophobic and acid-labile part self-assembled in water into spherical micelles with high aggregation number. The micellar structures and thermally induced phase transitions of the copolymers were investigated with (1)H NMR spectroscopy, light scattering, microscopy, turbidimetry, and fluorescence techniques. Thermoresponsive phase transitions of the copolymers in water were controlled via formation of core-shell-type micelles with densely compact PEG corona. Their lower critical solution temperatures (LCSTs) were modulated within the range 40-72 °C by varying PADMO block length. This unusually low LCST was attributed to the densely packed PEG structure in the polymer micelles, which resulted in strong n-clustering attractive interactions and insufficient hydration of PEG chains in the shell and greatly enhanced the thermosensitivity. The LCST behavior can also be modulated by partial acid hydrolysis of PADMO segments through the resulting change of hydrophobicity. © 2011 American Chemical Society

Thermo-reversible morphology and conductivity of a conjugated polymer network embedded in polymeric self-assembly

NASA Astrophysics Data System (ADS)

Han, Youngkyu; Carrillo, Jan-Michael Y.; Zhang, Zhe; Li, Yunchao; Hong, Kunlun; Sumpter, Bobby G.; Ohl, Michael; Paranthaman, Mariappan Parans; Smith, Gregory S.; Do, Changwoo

Self-assembly of block copolymers provides opportunities to create nano hybrid materials, utilizing self-assembled micro-domains with a variety of morphology and periodic architectures as templates for functional nano-fillers. Here we report new progress towards the fabrication of a thermally responsive conducting polymer self-assembly made from a water-soluble poly(thiophene) derivative with short PEO side chains and Pluronic L62 solution in water. The structural and electrical properties of conjugated polymer-embedded nanostructures were investigated by combining SANS, SAXS, CGMD simulations, and impedance spectroscopy. The L62 solution template organizes the conjugated polymers by stably incorporating them into the hydrophilic domains thus inhibiting aggregation. The changing morphology of L62 during the micellar-to-lamellar phase transition defines the embedded conjugated polymer network. The conductivity is strongly coupled to the structural change of the templating L62 phase and exhibits thermally reversible behavior with no signs of quenching of the conductivity at high temperature. The research was sponsored by the Scientific User Facilities Division, Office of BES, U.S. DOE and Laboratory Directed Research and Development Program of ORNL, managed by UT-Battelle, LLC.

Sonoanatomy relevant for ultrasound-guided central neuraxial blocks via the paramedian approach in the lumbar region

PubMed Central

Karmakar, M K; Li, X; Kwok, W H; Ho, A M-H; Ngan Kee, W D

2012-01-01

Objectives The use of ultrasound to guide peripheral nerve blocks is now a well-established technique in regional anaesthesia. However, despite reports of ultrasound guided epidural access via the paramedian approach, there are limited data on the use of ultrasound for central neuraxial blocks, which may be due to a poor understanding of spinal sonoanatomy. The aim of this study was to define the sonoanatomy of the lumbar spine relevant for central neuraxial blocks via the paramedian approach. Methods The sonoanatomy of the lumbar spine relevant for central neuraxial blocks via the paramedian approach was defined using a “water-based spine phantom”, young volunteers and anatomical slices rendered from the Visible Human Project data set. Results The water-based spine phantom was a simple model to study the sonoanatomy of the osseous elements of the lumbar spine. Each osseous element of the lumbar spine, in the spine phantom, produced a “signature pattern” on the paramedian sagittal scans, which was comparable to its sonographic appearance in vivo. In the volunteers, despite the narrow acoustic window, the ultrasound visibility of the neuraxial structures at the L3/L4 and L4/L5 lumbar intervertebral spaces was good, and we were able to delineate the sonoanatomy relevant for ultrasound-guided central neuraxial blocks via the paramedian approach. Conclusion Using a simple water-based spine phantom, volunteer scans and anatomical slices from the Visible Human Project (cadaver) we have described the sonoanatomy relevant for ultrasound-guided central neuraxial blocks via the paramedian approach in the lumbar region. PMID:22010025

Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties.

PubMed

Ghadar, Yasaman; Clark, Aurora E

2014-06-28

Liquid:vapor and liquid:liquid interfaces exhibit complex organizational structure and dynamics at the molecular level. In the case of water and organic solvents, the hydrophobicity of the organic, its conformational flexibility, and compressibility, all influence interfacial properties. This work compares the interfacial tension, width, molecular conformations and orientations at the vapor and aqueous liquid interfaces of two solvents, n-pentane and neopentane, whose varying molecular shapes can lead to significantly different interfacial behavior. Particular emphasis has been dedicated toward understanding how the hydrogen bond network of water responds to the pentane relative to the vapor interface and the sensitivity of the network to the individual pentane isomer and system temperature. Interfacial microsolvation of the immiscible solvents has been examined using graph theoretical methods that quantify the structure and dynamics of microsolvated species (both H2O in C5H12 and C5H12 in H2O). At room temperature, interfacial water at the pentane phase boundary is found to have markedly different organization and dynamics than at the vapor interface (as indicated by the hydrogen bond distributions and hydrogen bond persistence in solution). While the mesoscale interfacial properties (e.g. interfacial tension) are sensitive to the specific pentane isomer, the distribution and persistence of microsolvated species at the interface is nearly identical for both systems, irrespective of temperature (between 273 K and 298 K). This has important implications for understanding how properties defined by the interfacial organization are related to the underlying solvation reactions that drive formation of the phase boundary.

75 FR 80828 - Draft Compliance Policy Guide Sec. 510.800 Beverages-Serving Size Labeling; Availability

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-23

... per 12 ounces: (1) Sports drinks (this term is used by industry and has not been defined by the Agency), (2) bottled water and water beverages, (3) soft drinks and diet soft drinks, (4) energy drinks (this term is used by industry and has not been defined by the Agency), and (5) ready-to- drink teas. The CPG...

PFAM 2.0 - Documentations

EPA Pesticide Factsheets

The advanced capabilities of PFAM include accounting for water and pest management practices and for degradation in soil and aquatic environments, as well as for post processing of discharged paddy waters to a user-defined receiving water.

GROUND WATER SAMPLING ISSUES

EPA Science Inventory

Obtaining representative ground water samples is important for site assessment and
remedial performance monitoring objectives. Issues which must be considered prior to initiating a ground-water monitoring program include defining monitoring goals and objectives, sampling point...

Three-dimensional hydrogeologic framework model for use with a steady-state numerical ground-water flow model of the Death Valley regional flow system, Nevada and California

USGS Publications Warehouse

Belcher, Wayne R.; Faunt, Claudia C.; D'Agnese, Frank A.

2002-01-01

The U.S. Geological Survey, in cooperation with the Department of Energy and other Federal, State, and local agencies, is evaluating the hydrogeologic characteristics of the Death Valley regional ground-water flow system. The ground-water flow system covers an area of about 100,000 square kilometers from latitude 35? to 38?15' North to longitude 115? to 118? West, with the flow system proper comprising about 45,000 square kilometers. The Death Valley regional ground-water flow system is one of the larger flow systems within the Southwestern United States and includes in its boundaries the Nevada Test Site, Yucca Mountain, and much of Death Valley. Part of this study includes the construction of a three-dimensional hydrogeologic framework model to serve as the foundation for the development of a steady-state regional ground-water flow model. The digital framework model provides a computer-based description of the geometry and composition of the hydrogeologic units that control regional flow. The framework model of the region was constructed by merging two previous framework models constructed for the Yucca Mountain Project and the Environmental Restoration Program Underground Test Area studies at the Nevada Test Site. The hydrologic characteristics of the region result from a currently arid climate and complex geology. Interbasinal regional ground-water flow occurs through a thick carbonate-rock sequence of Paleozoic age, a locally thick volcanic-rock sequence of Tertiary age, and basin-fill alluvium of Tertiary and Quaternary age. Throughout the system, deep and shallow ground-water flow may be controlled by extensive and pervasive regional and local faults and fractures. The framework model was constructed using data from several sources to define the geometry of the regional hydrogeologic units. These data sources include (1) a 1:250,000-scale hydrogeologic-map compilation of the region; (2) regional-scale geologic cross sections; (3) borehole information, and (4) gridded surfaces from a previous three-dimensional geologic model. In addition, digital elevation model data were used in conjunction with these data to define ground-surface altitudes. These data, properly oriented in three dimensions by using geographic information systems, were combined and gridded to produce the upper surfaces of the hydrogeologic units used in the flow model. The final geometry of the framework model is constructed as a volumetric model by incorporating the intersections of these gridded surfaces and by applying fault truncation rules to structural features from the geologic map and cross sections. The cells defining the geometry of the hydrogeologic framework model can be assigned several attributes such as lithology, hydrogeologic unit, thickness, and top and bottom altitudes.

L'aquifère du bassin de la Mamora, Maroc: geometrie et ecoulements souterrainsThe aquifer of the Mamora Basin, Morocco: geometry and groundwater flow

NASA Astrophysics Data System (ADS)

Zouhri, L.

2001-05-01

The Mamora aquifer, in the northern Moroccan Meseta, constitutes the main regional water resource. Its impermeable basement is mostly composed of blue marls. The lithostratigraphy of the basin aquifer is characterised by a sequence of sandstones, sandy limestones, conglomerates and sandy clays. The structure of the basement of the Mamora aquifer, deduced from electrical resistivity measurements, allowed the hydrogeological behaviour of the reservoir, and the direction of the groundwater flow, to be established. The combination of the lithological, morphological, piezometric, geophysical and structural investigations revealed a northward thickening of the substrate with groundwater flow towards the Rharb (to the north) and towards the Atlantic Ocean (northwest). This 'multicriteria' approach enabled a structural model to be defined, which correlated well with the aquifer geometry and the groundwater flow. The variability of the hydrogeological units, and the northward thickening of the sedimentary facies, were controlled by northeast-southwest orientated faults, which affect their impermeability.

Fluoride ion encapsulation by Mg2+ and phosphates in a fluoride riboswitch

PubMed Central

Ren, Aiming; Rajashankar, Kanagalaghatta R.; Patel, Dinshaw J.

2012-01-01

Significant advances in our understanding of RNA architecture, folding and recognition have emerged from structure-function studies on riboswicthes, non-coding RNAs whose sensing domains bind small ligands and whose adjacent expression platforms contain RNA elements involved in the control of gene regulation. We now report on the ligand-bound structure of the Thermotoga petrophila fluoride riboswitch, which adopts a higher-order RNA architecture stabilized by pseudoknot and long-range reversed Watson-Crick and Hoogsteen A•U pair formation. The bound fluoride ion is encapsulated within the junctional architecture, anchored in place through direct coordination to three Mg2+ ions, which in turn are octahedrally coordinated to waters and five inwardly-pointing backbone phosphates. Our structure of the fluoride riboswitch in the bound state defines how RNA can form a binding pocket selective for fluoride, while discriminating against larger halide ions. The T. petrophila fluoride riboswitch most likely functions in gene regulation through a transcription termination mechanism. PMID:22678284

Homologue Structure of the SLAC1 Anion Channel for Closing Stomata in Leaves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Y Chen; L Hu; M Punta

2011-12-31

The plant SLAC1 anion channel controls turgor pressure in the aperture-defining guard cells of plant stomata, thereby regulating the exchange of water vapour and photosynthetic gases in response to environmental signals such as drought or high levels of carbon dioxide. Here we determine the crystal structure of a bacterial homologue (Haemophilus influenzae) of SLAC1 at 1.20 {angstrom} resolution, and use structure-inspired mutagenesis to analyse the conductance properties of SLAC1 channels. SLAC1 is a symmetrical trimer composed from quasi-symmetrical subunits, each having ten transmembrane helices arranged from helical hairpin pairs to form a central five-helix transmembrane pore that is gated bymore » an extremely conserved phenylalanine residue. Conformational features indicate a mechanism for control of gating by kinase activation, and electrostatic features of the pore coupled with electrophysiological characteristics indicate that selectivity among different anions is largely a function of the energetic cost of ion dehydration.« less

Structure and optical properties of ZnO produced from microwave hydrothermal hydrolysis of tris(ethylenediamine)zinc nitrate complex

NASA Astrophysics Data System (ADS)

Mostafa, Nasser Y.; Heiba, Zein K.; Ibrahim, Mohamed M.

2015-01-01

ZnO powders were synthesized using a solution microwave hydrothermal hydrolysis process and tris(ethylenediamine)zinc nitrate {[Zn(en)3](NO3)2} (en = ethylenediamine) as a precursor. Hydrolysis of the precursor complex at different pH produced zinc oxide with a diversity of well-defined morphologies. The effect of hydrolysis pH values on the structural and optical properties has been explored using XRD, SEM, and UV-visible diffuse reflectance spectroscopy (DRS). At pH = 7.0, randomly dispersed rods were formed. Whereas flower-like morphologies were obtained by treating the complex precursor in water at pH = 10.0 and 12.0. The ZnO4 tetrahedrons are greatly affected by the pH value. The band gap decreased sharply with increasing the pH value from 7.0 to 10.0, then slightly decreased with further increasing the pH to 12.0. The relationship between band gap and both structure and surface defects of the samples is also discussed.

Insights into the structure–photoreactivity relationships in well-defined perovskite ferroelectric KNbO 3 nanowires

DOE PAGES

Zhang, Tingting; Lei, Wanying; Liu, Ping; ...

2015-04-23

Structure–function correlations are a central theme in heterogeneous (photo)catalysis. In this study, the geometric and electronic structure of perovskite ferroelectric KNbO 3 nanowires with respective orthorhombic and monoclinic polymorphs have been systematically addressed. By virtue of aberration-corrected scanning transmission electron microscopy, we directly visualize surface photocatalytic active sites, measure local atomic displacements at an accuracy of several picometers, and quantify ferroelectric polarization combined with first-principles calculations. The photoreactivity of the as-prepared KNbO 3 nanowires is assessed toward aqueous rhodamine B degradation under UV light. A synergy between the ferroelectric polarization and electronic structure in photoreactivity enhancement is uncovered, which accountsmore » for the prominent reactivity order: orthorhombic > monoclinic. Additionally, by identifying new photocatalytic products, rhodamine B degradation pathways involving N-deethylation and conjugated structure cleavage are proposed. The findings not only provide new insights into the structure–photoreactivity relationships in perovskite ferroelectric photocatalysts, but also have broad implications in perovskite-based water splitting and photovoltaics, among others.« less

[Ecological protection and sustainable utilization of Erhai Lake, Yunnan].

PubMed

Yan, Chang-Zhou; Jin, Xiang-Can; Zhao, Jing-Zhu; Shen, Bing; Li, Ning-Bo; Huang, Chang-Zhu; Xiong, Zhong-Hua

2005-09-01

Economic development and increase of population pressure have caused a series of ecological environmental problems of Erhai Lake. These problems include: (1) Quickening of eutrophication process, (2) Decrease of water level and water resources, (3) Habitat deterioration of lakeside zone, and (4) Overfishing and slow depletion of aboriginal fish. Pollutant loading of Erhai Lake is as follows: COD(Cr) 3 008 t x a(-1), TP 137.31 t x a(-1), TN 1 426.35 t x a(-1). According to the mestrophic target of water quality, loading of nitrogen and phosphorus is far above environmental capacity of Erhai Lake. Erhai Lake is now in a pivotal and hypersensitive period of trophic states change, and the position is very critical. Therefore, some countermeasures to solve the problems are presented as follows: (1) Defining the dominant functions of Erhai Lake, (2) Paying attention to the adjustment of the industrial structure and distribution in the course of urbanization, (3) Setting up lakeside zone reserve, (4) Strengthening the control of tourism pollution, (5) Properly adjusting the water level of Erhai Lake, and (6) Some ecological engineering measures for water resources protection in the basin should be taken through collecting and treating of urban sewages, ecological rehabilitating of the main inflowing rivers, constructing of ecological agricultures and improving of rural environment, ecological restoring of aquatic ecosystem, and soil and water conservation.

Ion-specific effects under confinement: the role of interfacial water.

PubMed

Argyris, Dimitrios; Cole, David R; Striolo, Alberto

2010-04-27

All-atom molecular dynamics simulations were employed for the study of the structure and dynamics of aqueous electrolyte solutions within slit-shaped silica nanopores with a width of 10.67 A at ambient temperature. All simulations were conducted for 250 ns to capture the dynamics of ion adsorption and to obtain the equilibrium distribution of multiple ionic species (Na+, Cs+, and Cl(-)) within the pores. The results clearly support the existence of ion-specific effects under confinement, which can be explained by the properties of interfacial water. Cl(-) strongly adsorbs onto the silica surface. Although neither Na+ nor Cs+ is in contact with the solid surface, they show ion-specific behavior. The differences between the density distributions of cations within the pore are primarily due to size effects through their interaction with confined water molecules. The majority of Na+ ions appear within one water layer in close proximity to the silica surface, whereas Cs+ is excluded from well-defined water layers. As a consequence of this preferential distribution, we observe enhanced in-plane mobility for Cs+ ions, found near the center of the pore, compared to that for Na+ ions, closer to the solid substrate. These observations illustrate the key role of interfacial water in determining ion-specific effects under confinement and have practical importance in several fields, from geology to biology.

Calculations of and evidence for chain packing stress in inverse lyotropic bicontinuous cubic phases.

PubMed

Shearman, Gemma C; Khoo, Bee J; Motherwell, Mary-Lynn; Brakke, Kenneth A; Ces, Oscar; Conn, Charlotte E; Seddon, John M; Templer, Richard H

2007-06-19

Inverse bicontinuous cubic lyotropic phases are a complex solution to the dilemma faced by all self-assembled water-amphiphile systems: how to satisfy the incompatible requirements for uniform interfacial curvature and uniform molecular packing. The solution reached in this case is for the water-amphiphile interfaces to deform hyperbolically onto triply periodic minimal surfaces. We have previously suggested that although the molecular packing in these structures is rather uniform the relative phase behavior of the gyroid, double diamond, and primitive inverse bicontinuous cubic phases can be understood in terms of subtle differences in packing frustration. In this work, we have calculated the packing frustration for these cubics under the constraint that their interfaces have constant mean curvature. We find that the relative packing stress does indeed differ between phases. The gyroid cubic has the least packing stress, and at low water volume fraction, the primitive cubic has the greatest packing stress. However, at very high water volume fraction, the double diamond cubic becomes the structure with the greatest packing stress. We have tested the model in two ways. For a system with a double diamond cubic phase in excess water, the addition of a hydrophobe may release packing frustration and preferentially stabilize the primitive cubic, since this has previously been shown to have lower curvature elastic energy. We have confirmed this prediction by adding the long chain alkane tricosane to 1-monoolein in excess water. The model also predicts that if one were able to hydrate the double diamond cubic to high water volume fractions, one should destabilize the phase with respect to the primitive cubic. We have found that such highly swollen metastable bicontinuous cubic phases can be formed within onion vesicles. Data from monoelaidin in excess water display a well-defined transition, with the primitive cubic appearing above a water volume fraction of 0.75. Both of these results lend support to the proposition that differences in the packing frustration between inverse bicontinuous cubic phases play a pivotal role in their relative phase stability.

Water and Carbon Footprints for Sustainability Analysis of Urban Infrastructure - abstract

EPA Science Inventory

Water and transportation infrastructures define spatial distribution of urban population and economic activities. In this context, energy and water consumed per capita are tangible measures of how efficient water and transportation systems are constructed and operated. At a hig...

Visions of the Future in Drinking Water Microbiology.

EPA Science Inventory

Drinking water microbiology will have a tremendous impact on defining a safe drinking water in the future. There will be breakthroughs in realtime testing of process waters for pathogen surrogates with results made available within 1 hour for application to treatment adjustments ...

Uncertainty Management in Urban Water Engineering Adaptation to Climate Change

EPA Science Inventory

Current water resource planning and engineering assume a stationary climate, in which the observed historical water flow rate and water quality variations are often used to define the technical basis. When the non-stationarity is considered, however, climate change projection co...

Man-made organic compounds in source water of nine community water systems that withdraw from streams, 2002-05

USGS Publications Warehouse

Kingsbury, James A.; Delzer, Gregory C.; Hamilton, Pixie A.

2008-01-01

Initial findings from a national study by the National Water-Quality Assessment (NAWQA) Program of the U.S. Geological Survey (USGS) characterize the occurrence of about 250 anthropogenic organic compounds in source water (defined as water collected at a surface-water intake prior to water treatment) at nine community water systems in nine States in the Nation. The organic compounds analyzed in this study are primarily man-made and include pesticides, solvents, gasoline hydrocarbons, personal-care and domestic-use products, disinfection by-products, and manufacturing additives. The study also describes and compares the occurrence of selected compounds detected in source water with their occurrence in finished water, which is defined as water that has passed through treatment processes but prior to distribution. This fact sheet summarizes major findings and implications of the study and serves as a companion product to two USGS reports that present more detailed and technical information for the nine systems studied during 2002-05 (Carter and others, 2007; Kingsbury and others, 2008).

Risk indicators for water supply systems for a drought Decision Support System in central Tuscany (Italy)

NASA Astrophysics Data System (ADS)

Rossi, Giuseppe; Garrote, Luis; Caporali, Enrica

2010-05-01

Identifying the occurrence, the extent and the magnitude of a drought can be delicate, requiring detection of depletions of supplies and increases in demand. Drought indices, particularly the meteorological ones, can describe the onset and the persistency of droughts, especially in natural systems. However they have to be used cautiously when applied to water supply systems. They show little correlation with water shortage situations, since water storage, as well as demand fluctuation, play an important role in water resources management. For that reason a more dynamic indicator relating supply and demand is required in order to identify situations when there is risk of water shortages. In water supply systems there is great variability on the natural water resources and also on the demands. These quantities can only be defined probabilistically. This great variability is faced defining some threshold values, expressed in probabilistic terms, that measure the hydrologic state of the system. They can identify specific actions in an operational context in different levels of severity, like the normal, pre-alert, alert and emergency scenarios. They can simplify the decision-making required during stressful periods and can help mitigate the impacts of drought by clearly defining the conditions requiring actions. The threshold values are defined considering the probability to satisfy a given fraction of the demand in a certain time horizon, and are calibrated through discussion with water managers. A simplified model of the water resources system is built to evaluate the threshold values and the management rules. The threshold values are validated with a long term simulation that takes into account the characteristics of the evaluated system. The levels and volumes in the different reservoirs are simulated using 20-30 years time series. The critical situations are assessed month by month in order to evaluate optimal management rules during the year and avoid conditions of total water shortage. The methodology is applied to the urban area Firenze-Prato-Pistoia in central Tuscany, in central Italy. The catchment of the investigated area has a surface of 1231 km2 and, accordingly to the census ISTAT 2001, 945˙972 inhabitants.

Small Angle X-Ray Scattering from Lipid-Bound Myelin Basic Protein in Solution

PubMed Central

Haas, H.; Oliveira, C. L. P.; Torriani, I. L.; Polverini, E.; Fasano, A.; Carlone, G.; Cavatorta, P.; Riccio, P.

2004-01-01

The structure of myelin basic protein (MBP), purified from the myelin sheath in both lipid-free (LF-MBP) and lipid-bound (LB-MBP) forms, was investigated in solution by small angle x-ray scattering. The water-soluble LF-MBP, extracted at pH < 3.0 from defatted brain, is the classical preparation of MBP, commonly regarded as an intrinsically unfolded protein. LB-MBP is a lipoprotein-detergent complex extracted from myelin with its native lipidic environment at pH > 7.0. Under all conditions, the scattering from the two protein forms was different, indicating different molecular shapes. For the LB-MBP, well-defined scattering curves were obtained, suggesting that the protein had a unique, compact (but not globular) structure. Furthermore, these data were compatible with earlier results from molecular modeling calculations on the MBP structure which have been refined by us. In contrast, the LF-MBP data were in accordance with the expected open-coil conformation. The results represent the first direct structural information from x-ray scattering measurements on MBP in its native lipidic environment in solution. PMID:14695288

Multivariate classification of small order watersheds in the Quabbin Reservoir Basin, Massachusetts

USGS Publications Warehouse

Lent, R.M.; Waldron, M.C.; Rader, J.C.

1998-01-01

A multivariate approach was used to analyze hydrologic, geologic, geographic, and water-chemistry data from small order watersheds in the Quabbin Reservoir Basin in central Massachusetts. Eighty three small order watersheds were delineated and landscape attributes defining hydrologic, geologic, and geographic features of the watersheds were compiled from geographic information system data layers. Principal components analysis was used to evaluate 11 chemical constituents collected bi-weekly for 1 year at 15 surface-water stations in order to subdivide the basin into subbasins comprised of watersheds with similar water quality characteristics. Three principal components accounted for about 90 percent of the variance in water chemistry data. The principal components were defined as a biogeochemical variable related to wetland density, an acid-neutralization variable, and a road-salt variable related to density of primary roads. Three subbasins were identified. Analysis of variance and multiple comparisons of means were used to identify significant differences in stream water chemistry and landscape attributes among subbasins. All stream water constituents were significantly different among subbasins. Multiple regression techniques were used to relate stream water chemistry to landscape attributes. Important differences in landscape attributes were related to wetlands, slope, and soil type.A multivariate approach was used to analyze hydrologic, geologic, geographic, and water-chemistry data from small order watersheds in the Quabbin Reservoir Basin in central Massachusetts. Eighty three small order watersheds were delineated and landscape attributes defining hydrologic, geologic, and geographic features of the watersheds were compiled from geographic information system data layers. Principal components analysis was used to evaluate 11 chemical constituents collected bi-weekly for 1 year at 15 surface-water stations in order to subdivide the basin into subbasins comprised of watersheds with similar water quality characteristics. Three principal components accounted for about 90 percent of the variance in water chemistry data. The principal components were defined as a biogeochemical variable related to wetland density, an acid-neutralization variable, and a road-salt variable related to density of primary roads. Three subbasins were identified. Analysis of variance and multiple comparisons of means were used to identify significant differences in stream water chemistry and landscape attributes among subbasins. All stream water constituents were significantly different among subbasins. Multiple regression techniques were used to relate stream water chemistry to landscape attributes. Important differences in landscape attributes were related to wetlands, slope, and soil type.

Novel Molecular Spectroscopic Multimethod Approach for Monitoring Water Absorption/Desorption Kinetics of CAD/CAM Poly(Methyl Methacrylate) Prosthodontics.

PubMed

Wiedemair, Verena; Mayr, Sophia; Wimmer, Daniel S; Köck, Eva Maria; Penner, Simon; Kerstan, Andreas; Steinmassl, Patricia-Anca; Dumfahrt, Herbert; Huck, Christian W

2017-07-01

Water absorbed to poly(methyl methacrylate) (PMMA)-based CAD/CAM (computer-assisted design/computer-assisted manufacturing) prosthodontics can alter their properties including hardness and stability. In the present contribution, water absorption and desorption kinetics under defined experimental conditions were monitored employing several supplementary and advanced Fourier transform infrared (FT-IR) spectroscopic techniques in combination with multivariate analysis (MVA). In this synergistic vibrational spectroscopic multimethod approach, first a novel near-infrared (NIR) diffuse fiber optic probe reflection spectroscopic method was established for time-resolved analysis of water uptake within seven days under controlled conditions. Near-infrared water absorbance spectra in a wavenumber range between 5288-5100 cm -1 (combination band) and 5424-5352 cm -1 (second overtone) were used establishing corresponding calibration and validation models to quantify the amount of water in the milligram range. Therefore, 14 well-defined samples exposed to prior optimized experimental conditions were taken into consideration. The average daily water uptake conducting reference analysis was calculated as 22 mg/day for one week. Additionally, in this study for the first time NIR two-dimensional correlation spectroscopy (2D-COS) was conducted to monitor and interpret the spectral dynamics of water absorption on the prosthodontics in a wavenumber range of 5100-5300 cm -1 . For sensitive time-resolved recording of water desorption, a recently developed high-temperature, high-pressure FT-IR reaction cell with water-free ultra-dry in situ and operando operation was applied. The reaction cell, as well as the sample holder, was fully made of quartz glass, with no hot metal or ceramic parts in the vicinity of the high temperature zone. Applying a temperature gradient in the range of 25-150 ℃, mid-infrared (MIR) 2D-COS was successfully conducted to get insights into the dynamic behavior of O-H (1400-1800 cm -1 ) absorption bands with increasing temperature over time and the release of CO 2 (2450 cm -1 ) from the polymers. In addition, an ATR FT-IR imaging setup was optimized in order to investigate the surface homogeneity of the PMMA-based resins with a spatial resolution to 2 µm. From this vibrational spectroscopic multimethod approach and the collection of several analytical data, conclusions were drawn as to which degree the surface structure and/or its porosity have an impact onto the amount of water absorption.

Effect of the Polymeric Stabilizer in the Aqueous Phase Fischer-Tropsch Synthesis Catalyzed by Colloidal Cobalt Nanocatalysts

PubMed Central

Delgado, Jorge A.; Claver, Carmen; Castillón, Sergio; Curulla-Ferré, Daniel; Godard, Cyril

2017-01-01

A series of small and well defined cobalt nanoparticles were synthesized by the chemical reduction of cobalt salts in water using NaBH4 as a reducing agent and using various polymeric stabilizers. The obtained nanocatalysts of similar mean diameters (ca. 2.6 nm) were fully characterized and tested in the aqueous phase Fischer-Tropsch Synthesis (AFTS). Interestingly, the nature and structure of the stabilizers used during the synthesis of the CoNPs affected the reduction degree of cobalt and the B-doping of these NPs and consequently, influenced the performance of these nanocatalysts in AFTS. PMID:28336892

Achieving high permeability and enhanced selectivity for Angstrom-scale separations using artificial water channel membranes.

PubMed

Shen, Yue-Xiao; Song, Woochul C; Barden, D Ryan; Ren, Tingwei; Lang, Chao; Feroz, Hasin; Henderson, Codey B; Saboe, Patrick O; Tsai, Daniel; Yan, Hengjing; Butler, Peter J; Bazan, Guillermo C; Phillip, William A; Hickey, Robert J; Cremer, Paul S; Vashisth, Harish; Kumar, Manish

2018-06-12

Synthetic polymer membranes, critical to diverse energy-efficient separations, are subject to permeability-selectivity trade-offs that decrease their overall efficacy. These trade-offs are due to structural variations (e.g., broad pore size distributions) in both nonporous membranes used for Angstrom-scale separations and porous membranes used for nano to micron-scale separations. Biological membranes utilize well-defined Angstrom-scale pores to provide exceptional transport properties and can be used as inspiration to overcome this trade-off. Here, we present a comprehensive demonstration of such a bioinspired approach based on pillar[5]arene artificial water channels, resulting in artificial water channel-based block copolymer membranes. These membranes have a sharp selectivity profile with a molecular weight cutoff of ~ 500 Da, a size range challenging to achieve with current membranes, while achieving a large improvement in permeability (~65 L m -2  h -1  bar -1  compared with 4-7 L m -2  h -1  bar -1 ) over similarly rated commercial membranes.

Molecularly imprinted membranes (MIMs) for selective removal of polychlorinated biphenyls (PCBs) in environmental waters: fabrication and characterization.

PubMed

Mkhize, Dennis S; Nyoni, Hlengilizwe; Quinn, Laura P; Mamba, Bhekie B; Msagati, Titus A M

2017-04-01

Molecularly imprinted membranes (MIMs) with selective removal properties for polychlorinated biphenyls (PCBs) were prepared through the phase inversion technique. The MIMs were obtained from casting the viscous solutions of molecularly imprinted polymers (MIPs), polysulfone (PSf), and N-methyl-2-pyrrolidone (NMP) as the casting solvent. Different membranes were prepared at different concentration of MIPs and PSf. The resulting MIMs were characterized by atomic force microscope (AFM), scanning electron microscope (SEM), and Fourier transform infrared spectroscopy (FTIR). Moreover, the performance of the membranes was evaluated by determining and interpreting the rejection (%), flux (F), permeability coefficient (P), permselectivity factor ( α ' PCB/DDT or anthracene ), and enrichment factors of PCBs, dichlorodiphenyltrichloroethane (p,p'-DDT), and anthracene from model contaminated water using the dead-end filtration cell. Molecularly imprinted membrane prepared with 18 wt% PSf and 20 wt% MIP 4 exhibited a well-defined porous structure, which was accompanied by enhanced PCB enrichment. Furthermore, molecularly imprinted membrane showed good enrichment factors for PCBs even from spiked natural water samples of Hartbeespoort dam.

Water nanodroplet thermodynamics: quasi-solid phase-boundary dispersivity.

PubMed

Zhang, Xi; Sun, Peng; Huang, Yongli; Ma, Zengsheng; Liu, Xinjuan; Zhou, Ji; Zheng, Weitao; Sun, Chang Q

2015-04-23

It has long been puzzling that water nanodroplets undergo simultaneously "supercooling" at freezing and "superheating" at melting. Recent progress (Sun et al. J. Phys. Chem. Lett. 2013, 4, 2565, 3238) enables us to resolve this anomaly from the perspective of hydrogen bond (O:H-O) specific heat disparity. A superposition of the specific heat ηx(T) curves for the H-O bond (x = H) and the O:H nonbond (x = L) defines two intersecting temperatures that form the ice/quasi-solid/liquid phase boundaries. Molecular undercoordination (with fewer than four nearest neighbors in the bulk) stretches the ηH(T) curve by raising the Debye temperature ΘDH through H-O bond shortening and phonon stiffening. The ηH(T) stretching is coupled with the ηL(T) depressing because of the Coulomb repulsion between electron pairs on oxygen ions. The extent of dispersion varies with the size of a droplet that prefers a core-shell structure configuration-the bulk interior and the skin. Understandings may open an effective way of dealing with the thermodynamic behavior of water droplets and bubbles from the perspective of O:H-O bond cooperativity.

Application Driven Self-Assembly of Discrete, Three-Dimensional Architectures in Water.

PubMed

Taylor, Lauren; Riddell, Imogen; Smulders, Maarten M J

2018-06-25

In this review we discuss the recent advances in the construction of discrete, self-assembled architectures in water, a field that has gained significant interest in recent years because of the wide range of applications that arises from their well-defined 3D structure. We jointly discuss the efforts undertaken by supramolecular chemists and biotechnologists who previously worked independently to overcome discipline-specific challenges associated with construction of assemblies from synthetic and bio-derived components, respectively. We propose that going forward a more interdisciplinary research approach will expedite development of both synthetic and bio-derived complexes with real-world applications that exploit the benefits of compartmentalisation. In support of this, we summarise advances made in the development of discrete, water-soluble architectures, paying particular attention to their current and prospective applications. We also highlight keys areas where understanding and methodologies developed in the field of synthetic supramolecular chemistry can be integrated into the field of biotechnology and vice versa, in anticipation this will yield advances not possible from either field alone. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Free water determines diffusion alterations and clinical status in cerebral small vessel disease.

PubMed

Duering, Marco; Finsterwalder, Sofia; Baykara, Ebru; Tuladhar, Anil Man; Gesierich, Benno; Konieczny, Marek J; Malik, Rainer; Franzmeier, Nicolai; Ewers, Michael; Jouvent, Eric; Biessels, Geert Jan; Schmidt, Reinhold; de Leeuw, Frank-Erik; Pasternak, Ofer; Dichgans, Martin

2018-06-01

Diffusion tensor imaging detects early tissue alterations in Alzheimer's disease and cerebral small vessel disease (SVD). However, the origin of diffusion alterations in SVD is largely unknown. To gain further insight, we applied free water (FW) imaging to patients with genetically defined SVD (Cerebral Autosomal Dominant Arteriopathy with Subcortical Infarcts and Leukoencephalopathy [CADASIL], n = 57), sporadic SVD (n = 444), and healthy controls (n = 28). We modeled freely diffusing water in the extracellular space (FW) and measures reflecting fiber structure (tissue compartment). We tested associations between these measures and clinical status (processing speed and disability). Diffusion alterations in SVD were mostly driven by increased FW and less by tissue compartment alterations. Among imaging markers, FW showed the strongest association with clinical status (R 2 up to 34%, P < .0001). Findings were consistent across patients with CADASIL and sporadic SVD. Diffusion alterations and clinical status in SVD are largely determined by extracellular fluid increase rather than alterations of white matter fiber organization. Copyright © 2018 the Alzheimer's Association. All rights reserved.

Physicochemical regeneration of high silica zeolite Y used to clean-up water polluted with sulfonamide antibiotics.

PubMed

Braschi, I; Blasioli, S; Buscaroli, E; Montecchio, D; Martucci, A

2016-05-01

High silica zeolite Y has been positively evaluated to clean-up water polluted with sulfonamides, an antibiotic family which is known to be involved in the antibiotic resistance evolution. To define possible strategies for the exhausted zeolite regeneration, the efficacy of some chemico-physical treatments on the zeolite loaded with four different sulfonamides was evaluated. The evolution of photolysis, Fenton-like reaction, thermal treatments, and solvent extractions and the occurrence in the zeolite pores of organic residues eventually entrapped was elucidated by a combined thermogravimetric (TGA-DTA), diffractometric (XRPD), and spectroscopic (FT-IR) approach. The chemical processes were not able to remove the organic guest from zeolite pores and a limited transformation on embedded molecules was observed. On the contrary, both thermal treatment and solvent extraction succeeded in the regeneration of the zeolite loaded from deionized and natural fresh water. The recyclability of regenerated zeolite was evaluated over several adsorption/regeneration cycles, due to the treatment efficacy and its stability as well as the ability to regain the structural features of the unloaded material. Copyright © 2015. Published by Elsevier B.V.

Principal facts for gravity stations collected in 2010 from White Pine and Lincoln Counties, east-central Nevada

USGS Publications Warehouse

Mankinen, Edward A.; McKee, Edwin H.

2011-01-01

Increasing demands on the Colorado River system within the arid Southwestern United States have focused attention on finding new, alternative sources of water. Particular attention is being paid to the eastern Great Basin, where important ground-water systems occur within a regionally extensive sequence of Paleozoic carbonate rocks and in the Cenozoic basin-fill deposits that occur throughout the region. Geophysical investigations to characterize the geologic framework of aquifers in eastern Nevada and western Utah began in a series of cooperative agreements between the U.S. Geological Survey and the Southern Nevada Water Authority in 2003. These studies were intended to better understand the formation of basins, define their subsurface shape and depth, and delineate structures that may impede or enhance groundwater flow. We have combined data from gravity stations established during the current study with previously available data to produce an up-to-date isostatic-gravity map of the study area, using a gravity inversion method to calculate depths to pre-Cenozoic basement rock and to estimate alluvial/volcanic fill in the valleys.

ADVANCES IN GROUND WATER SAMPLING PROCEDURES

EPA Science Inventory

Obtaining representative ground water samples is important for site assessment and remedial performance monitoring objectives. Issues which must be considered prior to initiating a ground-water monitoring program include defining monitoring goals and objectives, sampling point...

Quantifying Water Stress Using Total Water Volumes and GRACE

NASA Astrophysics Data System (ADS)

Richey, A. S.; Famiglietti, J. S.; Druffel-Rodriguez, R.

2011-12-01

Water will follow oil as the next critical resource leading to unrest and uprisings globally. To better manage this threat, an improved understanding of the distribution of water stress is required today. This study builds upon previous efforts to characterize water stress by improving both the quantification of human water use and the definition of water availability. Current statistics on human water use are often outdated or inaccurately reported nationally, especially for groundwater. This study improves these estimates by defining human water use in two ways. First, we use NASA's Gravity Recovery and Climate Experiment (GRACE) to isolate the anthropogenic signal in water storage anomalies, which we equate to water use. Second, we quantify an ideal water demand by using average water requirements for the domestic, industrial, and agricultural water use sectors. Water availability has traditionally been limited to "renewable" water, which ignores large, stored water sources that humans use. We compare water stress estimates derived using either renewable water or the total volume of water globally. We use the best-available data to quantify total aquifer and surface water volumes, as compared to groundwater recharge and surface water runoff from land-surface models. The work presented here should provide a more realistic image of water stress by explicitly quantifying groundwater, defining water availability as total water supply, and using GRACE to more accurately quantify water use.

Protein domain assignment from the recurrence of locally similar structures

PubMed Central

Tai, Chin-Hsien; Sam, Vichetra; Gibrat, Jean-Francois; Garnier, Jean; Munson, Peter J.

2010-01-01

Domains are basic units of protein structure and essential for exploring protein fold space and structure evolution. With the structural genomics initiative, the number of protein structures in the Protein Databank (PDB) is increasing dramatically and domain assignments need to be done automatically. Most existing structural domain assignment programs define domains using the compactness of the domains and/or the number and strength of intra-domain versus inter-domain contacts. Here we present a different approach based on the recurrence of locally similar structural pieces (LSSPs) found by one-against-all structure comparisons with a dataset of 6,373 protein chains from the PDB. Residues of the query protein are clustered using LSSPs via three different procedures to define domains. This approach gives results that are comparable to several existing programs that use geometrical and other structural information explicitly. Remarkably, most of the proteins that contribute the LSSPs defining a domain do not themselves contain the domain of interest. This study shows that domains can be defined by a collection of relatively small locally similar structural pieces containing, on average, four secondary structure elements. In addition, it indicates that domains are indeed made of recurrent small structural pieces that are used to build protein structures of many different folds as suggested by recent studies. PMID:21287617

40 CFR 141.806 - Reporting requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... fleet; (ii) Change in status (active or inactive) of any aircraft as an aircraft water system as defined... to or removed from the water system. (iv) Change to whether the aircraft water system can be... Section 141.806 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS...

40 CFR 141.806 - Reporting requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... fleet; (ii) Change in status (active or inactive) of any aircraft as an aircraft water system as defined... to or removed from the water system. (iv) Change to whether the aircraft water system can be... Section 141.806 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS...

40 CFR 131.1 - Scope.

Code of Federal Regulations, 2010 CFR

2010-07-01

... of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS WATER QUALITY STANDARDS..., reviewing, revising, and approving water quality standards by the States as authorized by section 303(c) of... water quality standards for Great Lakes States or Great Lakes Tribes (as defined in 40 CFR 132.2) to...

Toward a Global Water Quality Observing and Forecasting System

EPA Science Inventory

The Group on Earth Observations (GEO) Coastal and Inland Water Quality Working Group held a Water Quality Summit at the World Meteorological Organization (WMO) in Geneva, Switzerland April 20 to 22, 2015. The goal was to define specific water quality component requirements and de...

Uncertainty Management in Urban Water Engineering Adaptation to Climate Change - abstract

EPA Science Inventory

Current water resource planning and engineering assume a stationary climate, in which the observed historical water flow rate and water quality variations are often used to define the technical basis. When the non-stationarity is considered, however, climate change projection co...

Optimal operating rules definition in complex water resource systems combining fuzzy logic, expert criteria and stochastic programming

NASA Astrophysics Data System (ADS)

Macian-Sorribes, Hector; Pulido-Velazquez, Manuel

2016-04-01

This contribution presents a methodology for defining optimal seasonal operating rules in multireservoir systems coupling expert criteria and stochastic optimization. Both sources of information are combined using fuzzy logic. The structure of the operating rules is defined based on expert criteria, via a joint expert-technician framework consisting in a series of meetings, workshops and surveys carried out between reservoir managers and modelers. As a result, the decision-making process used by managers can be assessed and expressed using fuzzy logic: fuzzy rule-based systems are employed to represent the operating rules and fuzzy regression procedures are used for forecasting future inflows. Once done that, a stochastic optimization algorithm can be used to define optimal decisions and transform them into fuzzy rules. Finally, the optimal fuzzy rules and the inflow prediction scheme are combined into a Decision Support System for making seasonal forecasts and simulate the effect of different alternatives in response to the initial system state and the foreseen inflows. The approach presented has been applied to the Jucar River Basin (Spain). Reservoir managers explained how the system is operated, taking into account the reservoirs' states at the beginning of the irrigation season and the inflows previewed during that season. According to the information given by them, the Jucar River Basin operating policies were expressed via two fuzzy rule-based (FRB) systems that estimate the amount of water to be allocated to the users and how the reservoir storages should be balanced to guarantee those deliveries. A stochastic optimization model using Stochastic Dual Dynamic Programming (SDDP) was developed to define optimal decisions, which are transformed into optimal operating rules embedding them into the two FRBs previously created. As a benchmark, historical records are used to develop alternative operating rules. A fuzzy linear regression procedure was employed to foresee future inflows depending on present and past hydrological and meteorological variables actually used by the reservoir managers to define likely inflow scenarios. A Decision Support System (DSS) was created coupling the FRB systems and the inflow prediction scheme in order to give the user a set of possible optimal releases in response to the reservoir states at the beginning of the irrigation season and the fuzzy inflow projections made using hydrological and meteorological information. The results show that the optimal DSS created using the FRB operating policies are able to increase the amount of water allocated to the users in 20 to 50 Mm3 per irrigation season with respect to the current policies. Consequently, the mechanism used to define optimal operating rules and transform them into a DSS is able to increase the water deliveries in the Jucar River Basin, combining expert criteria and optimization algorithms in an efficient way. This study has been partially supported by the IMPADAPT project (CGL2013-48424-C2-1-R) with Spanish MINECO (Ministerio de Economía y Competitividad) and FEDER funds. It also has received funding from the European Union's Horizon 2020 research and innovation programme under the IMPREX project (grant agreement no: 641.811).

Evolving urban water and residuals management paradigms: water reclamation and reuse, decentralization, and resource recovery.

PubMed

Daigger, Glen T

2009-08-01

Population growth and improving standards of living, coupled with dramatically increased urbanization, are placing increased pressures on available water resources, necessitating new approaches to urban water management. The tradition linear "take, make, waste" approach to managing water increasingly is proving to be unsustainable, as it is leading to water stress (insufficient water supplies), unsustainable resource (energy and chemicals) consumption, the dispersion of nutrients into the aquatic environment (especially phosphorus), and financially unstable utilities. Different approaches are needed to achieve economic, environmental, and social sustainability. Fortunately, a toolkit consisting of stormwater management/rainwater harvesting, water conservation, water reclamation and reuse, energy management, nutrient recovery, and source separation is available to allow more closed-loop urban water and resource management systems to be developed and implemented. Water conservation and water reclamation and reuse (multiple uses) are becoming commonplace in numerous water-short locations. Decentralization, enabled by new, high-performance treatment technologies and distributed stormwater management/rainwater harvesting, is furthering this transition. Likewise, traditional approaches to residuals management are evolving, as higher levels of energy recovery are desired, and nutrient recovery and reuse is to be enhanced. A variety of factors affect selection of the optimum approach for a particular urban area, including local hydrology, available water supplies, water demands, local energy and nutrient-management situations, existing infrastructure, and utility governance structure. A proper approach to economic analysis is critical to determine the most sustainable solutions. Stove piping (i.e., separate management of drinking, storm, and waste water) within the urban water and resource management profession must be eliminated. Adoption of these new approaches to urban water and resource management can lead to more sustainable solutions, defined as financially stable, using locally sustainable water supplies, energy-neutral, providing responsible nutrient management, and with access to clean water and appropriate sanitation for all.

Molecular driving forces defining lipid positions around aquaporin-0

PubMed Central

Aponte-Santamaría, Camilo; Briones, Rodolfo; Schenk, Andreas D.; Walz, Thomas; de Groot, Bert L.

2012-01-01

Lipid–protein interactions play pivotal roles in biological membranes. Electron crystallographic studies of the lens-specific water channel aquaporin-0 (AQP0) revealed atomistic views of such interactions, by providing high-resolution structures of annular lipids surrounding AQP0. It remained unclear, however, whether these lipid structures are representative of the positions of unconstrained lipids surrounding an individual protein, and what molecular determinants define the lipid positions around AQP0. We addressed these questions by using molecular dynamics simulations and crystallographic refinement, and calculated time-averaged densities of dimyristoyl-phosphatidylcholine lipids around AQP0. Our simulations demonstrate that, although the experimentally determined crystallographic lipid positions are constrained by the crystal packing, they appropriately describe the behavior of unconstrained lipids around an individual AQP0 tetramer, and thus likely represent physiologically relevant lipid positions.While the acyl chains were well localized, the lipid head groups were not. Furthermore, in silico mutations showed that electrostatic interactions do not play a major role attracting these phospholipids towards AQP0. Instead, the mobility of the protein crucially modulates the lipid localization and explains the difference in lipid density between extracellular and cytoplasmic leaflets. Moreover, our simulations support a general mechanism in which membrane proteins laterally diffuse accompanied by several layers of localized lipids, with the positions of the annular lipids being influenced the most by the protein surface. We conclude that the acyl chains rather than the head groups define the positions of dimyristoyl-phosphatidylcholine lipids around AQP0. Lipid localization is largely determined by the mobility of the protein surface, whereas hydrogen bonds play an important but secondary role. PMID:22679286

Extreme Water Deficit in Brazil Detected from Space

NASA Technical Reports Server (NTRS)

Vieira Getirana

2016-01-01

Extreme droughts have caused significant socioeconomic and environmental damage worldwide. In Brazil, ineffective energy development and water management policies have magnified the impacts of recent severe droughts, which include massive agricultural losses, water supply restrictions, and energy rationing. Spaceborne remote sensing data advance our understanding of the spatiotemporal variability of large-scale droughts and enhance the detection and monitoring of extreme water-related events. In this study, data derived from the Gravity Recovery and Climate Experiment (GRACE) mission are used to detect and quantify an extended major drought over eastern Brazil and provide estimates of impacted areas and region-specific water deficits. Two structural breakpoint detection methods were applied to time series of GRACE-based terrestrial water storage anomalies (TWSA), determining when two abrupt changes occurred. One, in particular, defines the beginning of the current drought. Using TWSA, a water loss rate of 26.1 cmyr21 over southeastern Brazil was detected from 2012 to 2015. Based on analysis of Global Land Data Assimilation System(GLDAS) outputs, the extreme drought is mostly related to lower-than-usual precipitation rates, resulting in high soil moisture depletion and lower-than-usual rates of evapotranspiration. A reduction of 2023 of precipitation over an extended period of 3 years is enough to raise serious water scarcity conditions in the country. Correlations between monthly time series of both grid-based TWSA and ground-based water storage measurements at 16 reservoirs located within southeastern Brazil varied from 0.42 to 0.82. Differences are mainly explained by reservoir sizes and proximity to the drought nucleus.

Water-level data for the Albuquerque Basin and adjacent areas, central New Mexico, period of record through September 30, 2013

USGS Publications Warehouse

Beman, Joseph E.

2014-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25–40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompasses the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin were obtained solely from groundwater resources until December 2008, when treatment and distribution of surface water from the Rio Grande began. A population increase of about 20 percent in the basin from 1990 to 2000 and a 22-percent increase from 2000 to 2010 resulted in an increased demand for water. An initial network of wells was established by the U.S. Geological Survey (USGS) in cooperation with the City of Albuquerque from April 1982 through September 1983 to monitor changes in groundwater levels throughout the basin. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly in 1983. Currently (2013), the network consists of 123 wells and piezometers. (A piezometer is a specialized well open to a specific depth in the aquifer, often of small diameter and nested with other piezometers open to different depths.) The USGS, in cooperation with the Albuquerque Bernalillo County Water Utility Authority, currently (2013) measures and reports water levels from the 123 wells and piezometers in the network; this report presents water-level data collected by USGS personnel at those 123 sites through water year 2013.

Water-level data for the Albuquerque Basin and adjacent areas, central New Mexico, period of record through September 30, 2012

USGS Publications Warehouse

Beman, Joseph E.

2013-01-01

The Albuquerque Basin, located in central New Mexico, is about 100 miles long and 25-40 miles wide. The basin is defined as the extent of consolidated and unconsolidated deposits of Tertiary and Quaternary age that encompasses the structural Rio Grande Rift within the basin. Drinking-water supplies throughout the basin were obtained solely from groundwater resources until December 2008, when surface water from the Rio Grande began being treated and integrated into the system. A population increase of about 20 percent in the basin from 1990 to 2000 and a 22 percent increase from 2000 to 2010 resulted in an increased demand for water. An initial network of wells was established by the U.S. Geological Survey (USGS) in cooperation with the City of Albuquerque from April 1982 through September 1983 to monitor changes in groundwater levels throughout the basin. This network consisted of 6 wells with analog-to-digital recorders and 27 wells where water levels were measured monthly in 1983. Currently (2012), the network consists of 126 wells and piezometers. (A piezometer is a specialized well open to a specific depth in the aquifer, often of small diameter and nested with other piezometers open to different depths.) The USGS, in cooperation with the Albuquerque Bernalillo County Water Utility Authority (ABCWUA), currently (2012) measures and reports water levels from the 126 wells and piezometers in the network; this report presents water-level data collected by USGS personnel at those 126 sites through water year 2012.

Bedrock geology of snyderville basin: Structural geology techniques applied to understanding the hydrogeology of a rapidly developing region, Summit County, Utah

USGS Publications Warehouse

Keighley, K.E.; Yonkee, W.A.; Ashland, F.X.; Evans, J.P.

1997-01-01

The availability of ground water is a problem for many communities throughout the west. As these communities continue to experience growth, the initial allocation of ground water supplies proves inadequate and may force restrictions on existing, and future, development plans. Much of this new growth relies on ground water supplies extracted from fractured bedrock aquifers. An example of a community faced with this problem is western Summit County, near Park City, Utah, This area has experienced significant water shortages coupled with a 50% growth rate in the past 10-15 years. Recent housing development rests directly on complexly deformed Triassic to Jurassic sedimentary rocks in the hanging wall of the Mount Raymond-Absaroka thrust system. The primary fractured bedrock aquifers are the Nugget Sandstone, and limestones in the Thaynes and Twin Creek Formations. Ground water production and management strategies can be improved if the geometry of the structures and the flow properties of the fractured and folded bedrock can be established. We characterize the structures that may influence ground water flow at two sites: the Pinebrook and Summit Park subdivisions, which demonstrate abrupt changes (less than 1 mi/1.6 km) within the hydrogeologic systems. Geologic mapping at scales of 1:4500 (Pinebrook) and 1:9600 (Summit Park), scanline fracture mapping at the outcrop scale, geologic cross sections, water well data, and structural analysis, provides a clearer picture of the hydrogeologic setting of the aquifers in this region, and has been used to successfully site wells. In the Pinebrook area, the dominate map-scale structures of the area is the Twomile Canyon anticline, a faulted box-like to conical anticline. Widely variable bedding orientations suggest that the fold is segmented and is non-cylindrical and conical on the western limb with a fold axis that plunges to the northwest and also to the southeast, and forms a box-type fold between the middle and eastern limbs with a fold axis that plunges to the northeast. The fold is cut by several faults including the Toll Canyon fault, which we interpret as a west-directed folded hanging-wall splay off the east-directed Mt. Raymond thrust. These complex geometries may be due to at least two phases of deformation. Results from outcrop analyses show that the fractured bedrock aquifers are lithologically heterogeneous, anisotropic, and compartmentalized. Two exposures of the Toll Canyon fault show that even though the fault cores may be thin, extensive damage zones develop in the Nugget Sandstone and Thaynes Limestone, and shale smears form in the Triassic shales. The damaged zones may be regions of enhanced fracture permeability, whereas the shale smears act as flow barriers. The orientation, density, and hydrogeologic characteristics for predominate fracture sets vary within meters. In the Summit Park area, chronic water shortages required new wells to be sited in the northeast-plunging Summit Park anticline. The anticline experienced two phases of folding and at least one episode of faulting. Structural analysis of the fold defined the geometry of the structure, and a down plunge projection along the fold hinge was used to estimate the location of the Nugget Sandstone at a depth of 700 ft (213 m). The crestal region of the anticline was drilled in order to intercept regions of higher fracture density in the fold. The test well penetrated the Nugget Sandstone at 698 ft depth, and two production wells with long-term yields of 120 and 180 gpm completed. One well in the Sliderock Member (Twin Creek Formation) experiences seasonal fluctuations whereas production in the Nugget sandstone has only subdued seasonal variations, suggesting the Nugget may have great storage. Complex structures work against the typical basin yield approach for water budgets, therefore, water supply estimates may benefit from detailed studies within local areas. The results of this study demonstrate how tradition

Knowledge-Based Elastic Potentials for Docking Drugs or Proteins with Nucleic Acids

PubMed Central

Ge, Wei; Schneider, Bohdan; Olson, Wilma K.

2005-01-01

Elastic ellipsoidal functions defined by the observed hydration patterns around the DNA bases provide a new basis for measuring the recognition of ligands in the grooves of double-helical structures. Here a set of knowledge-based potentials suitable for quantitative description of such behavior is extracted from the observed positions of water molecules and amino acid atoms that form hydrogen bonds with the nitrogenous bases in high resolution crystal structures. Energies based on the displacement of hydrogen-bonding sites on drugs in DNA-crystal complexes relative to the preferred locations of water binding around the heterocyclic bases are low, pointing to the reliability of the potentials and the apparent displacement of water molecules by drug atoms in these structures. The validity of the energy functions has been further examined in a series of sequence substitution studies based on the structures of DNA bound to polyamides that have been designed to recognize the minor-groove edges of Watson-Crick basepairs. The higher energies of binding to incorrect sequences superimposed (without conformational adjustment or displacement of polyamide ligands) on observed high resolution structures confirm the hypothesis that the drug subunits associate with specific DNA bases. The knowledge-based functions also account satisfactorily for the measured free energies of DNA-polyamide association in solution and the observed sites of polyamide binding on nucleosomal DNA. The computations are generally consistent with mechanisms by which minor-groove binding ligands are thought to recognize DNA basepairs. The calculations suggest that the asymmetric distributions of hydrogen-bond-forming atoms on the minor-groove edge of the basepairs may underlie ligand discrimination of G·C from C·G pairs, in addition to the commonly believed role of steric hindrance. The analysis of polyamide-bound nucleosomal structures reveals other discrepancies in the expected chemical design, including unexpected contacts to DNA and modified basepair targets of some ligands. The ellipsoidal potentials thus appear promising as a mathematical tool for the study of drug- and protein-DNA interactions and for gaining new insights into DNA-binding mechanisms. PMID:15501936

Cement hydration from hours to centuries controlled by diffusion through barrier shells of C-S-H

NASA Astrophysics Data System (ADS)

Rahimi-Aghdam, Saeed; Bažant, Zdeněk P.; Abdolhosseini Qomi, M. J.

2017-02-01

Although a few good models for cement hydration exist, they have some limitations. Some do not take into account the complete range of variation of pore relative humidity and temperature, and apply over durations limited from up a few months to up to about a year. The ones that are applicable for long durations are either computationally too intensive for use in finite element programs or predict the hydration to terminate after few months. However, recent tests of autogenous shrinkage and swelling in water imply that the hydration may continue, at decaying rate, for decades, provided that a not too low relative pore humidity (above 0.7) persists for a long time, as expected for the cores of thick concrete structural members. Therefore, and because design lifetimes of over hundred years are required for large concrete structures, a new hydration model for a hundred year lifespan and beyond is developed. The new model considers that, after the first day of hydration, the remnants of anhydrous cement grains, gradually consumed by hydration, are enveloped by contiguous, gradually thickening, spherical barrier shells of calcium-silicate hydrate (C-S-H). The hydration progress is controlled by transport of water from capillary pores through the barrier shells toward the interface with anhydrous cement. The transport is driven by a difference of humidity, defined by equivalence with the difference in chemical potential of water. Although, during the period of 4-24 h, the C-S-H forms discontinuous nano-globules around the cement grain, an equivalent barrier shell control was formulated for this period, too, for ease and effectiveness of calculation. The entire model is calibrated and validated by published test data on the evolution of hydration degree for various cement types, particle size distributions, water-cement ratios and temperatures. Computationally, this model is sufficiently effective for calculating the evolution of hydration degree (or aging) at every integration point of every finite element in a large structure.

Analysis of the economic and ideological factors involved in the development of rights to water in the West, focusing on Colorado

DOE Office of Scientific and Technical Information (OSTI.GOV)

Penn, D.A.

1984-01-01

This study represents a limited step towards addressing the problems of the continuous development of property rights in natural resources. First a model of the evolution of water rights in the West is developed. In the model, the specification of property rights in water is treated as a continuous variable, ranging from completely nonexclusive to completely exclusive. The particular position on the continuum depends on the benefits of increasing the level of exclusivity relative to the costs. As the net benefits of increasing water right exclusivity increase, the model predicts greater property rights defining and enforcing activity. The second portionmore » of the study provides a historical context of the development of property rights in the West, focusing on the experience in Colorado. The evolution of property rights is analyzed, given the actual economic and ideological constraints and motivations existing at the time. The last portion of the study offers an empirical test of the hypotheses generated by the model. Ordinary least-squares equations are estimated, using the number of water-rights cases as an indicator of defining and enforcing activity. The quantitative and historical evidence suggests that water rights exhibit a tendency to develop efficiently, but that this tendency is constrained by the costs of defining exclusive rights to water and by ideology.« less

A zone-specific fish-based biotic index as a management tool for the Zeeschelde estuary (Belgium).

PubMed

Breine, Jan; Quataert, Paul; Stevens, Maarten; Ollevier, Frans; Volckaert, Filip A M; Van den Bergh, Ericia; Maes, Joachim

2010-07-01

Fish-based indices monitor changes in surface waters and are a valuable aid in communication by summarising complex information about the environment (Harrison and Whitfield, 2004). A zone-specific fish-based multimetric estuarine index of biotic integrity (Z-EBI) was developed based on a 13 year time series of fish surveys from the Zeeschelde estuary (Belgium). Sites were pre-classified using indicators of anthropogenic impact. Metrics showing a monotone response with pressure classes were selected for further analysis. Thresholds for the good ecological potential (GEP) were defined from references. A modified trisection was applied for the other thresholds. The Z-EBI is defined by the average of the metric scores calculated over a one year period and translated into an ecological quality ratio (EQR). The indices integrate structural and functional qualities of the estuarine fish communities. The Z-EBI performances were successfully validated for habitat degradation in the various habitat zones. Copyright 2010 Elsevier Ltd. All rights reserved.

Ab initio calculation of the deprotonation constants of an atomistically defined nanometer-sized, aluminium hydroxide oligomer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wander, Matthew C. F.; Shuford, Kevin L.; Rustad, James R.

Aluminium possesses significant and diverse chemistry. Numerous compounds have been defined, and the elucidation of their chemistry is of significant geochemical interest. In this paper, a brucite-like, eight-aluminium aqueous cluster is modelled with density functional theory to identify its primary site of deprotonation and the associated pK(a) constant using both explicit (a full first solvent shell) and implicit solvent. Two methods for calculating the pK(a) are compared. We found that a bond density approach is better than a direct energy calculation for ions with large charge and high symmetry. The terminal aluminium atoms have equatorial ligated waters that in solventmore » have one long O-H bond. This site is more reactive than any of the other protons on the particle. Insights into the experimental crystal structure and Bader's Atoms in Molecules density analysis are presented as routes to reduce the computational time required for the identification of protonation sites.« less

Influence of low energy argon plasma treatment on the moisture barrier performance of hot wire-CVD grown SiNx multilayers

NASA Astrophysics Data System (ADS)

Majee, Subimal; Fátima Cerqueira, Maria; Tondelier, Denis; Geffroy, Bernard; Bonnassieux, Yvan; Alpuim, Pedro; Bourée, Jean Eric

2014-01-01

The reliability and stability are key issues for the commercial utilization of organic photovoltaic devices based on flexible polymer substrates. To increase the shelf-lifetime of these devices, transparent moisture barriers of silicon nitride (SiNx) films are deposited at low temperature by hot wire CVD (HW-CVD) process. Instead of the conventional route based on organic/inorganic hybrid structures, this work defines a new route consisting in depositing multilayer stacks of SiNx thin films, each single layer being treated by argon plasma. The plasma treatment allows creating smoother surface and surface atom rearrangement. We define a critical thickness of the single layer film and focus our attention on the effect of increasing the number of SiNx single-layers on the barrier properties. A water vapor transmission rate (WVTR) of 2 × 10-4 g/(m2·day) is reported for SiNx multilayer stack and a physical interpretation of the plasma treatment effect is given.

Assessment of Environmental Enteropathy in the MAL-ED Cohort Study: Theoretical and Analytic Framework

PubMed Central

Kosek, Margaret; Guerrant, Richard L.; Kang, Gagandeep; Bhutta, Zulfiqar; Yori, Pablo Peñataro; Gratz, Jean; Gottlieb, Michael; Lang, Dennis; Lee, Gwenyth; Haque, Rashidul; Mason, Carl J.; Ahmed, Tahmeed; Lima, Aldo; Petri, William A.; Houpt, Eric; Olortegui, Maribel Paredes; Seidman, Jessica C.; Mduma, Estomih; Samie, Amidou; Babji, Sudhir

2014-01-01

Individuals in the developing world live in conditions of intense exposure to enteric pathogens due to suboptimal water and sanitation. These environmental conditions lead to alterations in intestinal structure, function, and local and systemic immune activation that are collectively referred to as environmental enteropathy (EE). This condition, although poorly defined, is likely to be exacerbated by undernutrition as well as being responsible for permanent growth deficits acquired in early childhood, vaccine failure, and loss of human potential. This article addresses the underlying theoretical and analytical frameworks informing the methodology proposed by the Etiology, Risk Factors and Interactions of Enteric Infections and Malnutrition and the Consequences for Child Health and Development (MAL-ED) cohort study to define and quantify the burden of disease caused by EE within a multisite cohort. Additionally, we will discuss efforts to improve, standardize, and harmonize laboratory practices within the MAL-ED Network. These efforts will address current limitations in the understanding of EE and its burden on children in the developing world. PMID:25305293

Enantioselective separation of defined endocrine-disrupting nonylphenol isomers.

PubMed

Acir, Ismail-Hakki; Wüst, Matthias; Guenther, Klaus

2016-08-01

Nonylphenol is in the focus of worldwide endocrine-disrupter research and accounted for as a priority hazardous substance of the Water Framework Directive of the European Union. Technical nonylphenol consists of a very complex mixture of isomers and enantiomers. As estrogenic effect and degradation behavior in environmental processes of single nonylphenols are heavily dependent on the structure of the nonyl side chain, it is absolutely necessary to consider the nonylphenol problem from an isomer and enantiomer-specific viewpoint. In this study, an enantiomer-specific separation of eight defined synthesized nonylphenol isomers by five different special chiral cyclodextrin columns was performed underivatized and after methylation, silylation, and acylation. This work demonstrates that three columns out of the investigated five show an excellent separation behavior for the studied different nonylphenol isomers and can be used for the enantiomer-specific determination of nonylphenols in food, other biological matrices, and environmental samples in the future. Graphical abstract Enantiomeric pair of 4-NP170 (4-[1-ethyl-1,3,3-trimethylbutyl]phenol).

Simulating the minimum core for hydrophobic collapse in globular proteins.

PubMed Central

Tsai, J.; Gerstein, M.; Levitt, M.

1997-01-01

To investigate the nature of hydrophobic collapse considered to be the driving force in protein folding, we have simulated aqueous solutions of two model hydrophobic solutes, methane and isobutylene. Using a novel methodology for determining contacts, we can precisely follow hydrophobic aggregation as it proceeds through three stages: dispersed, transition, and collapsed. Theoretical modeling of the cluster formation observed by simulation indicates that this aggregation is cooperative and that the simulations favor the formation of a single cluster midway through the transition stage. This defines a minimum solute hydrophobic core volume. We compare this with protein hydrophobic core volumes determined from solved crystal structures. Our analysis shows that the solute core volume roughly estimates the minimum core size required for independent hydrophobic stabilization of a protein and defines a limiting concentration of nonpolar residues that can cause hydrophobic collapse. These results suggest that the physical forces driving aggregation of hydrophobic molecules in water is indeed responsible for protein folding. PMID:9416609

Assessing uncertainties in surface water security: An empirical multimodel approach

NASA Astrophysics Data System (ADS)

Rodrigues, Dulce B. B.; Gupta, Hoshin V.; Mendiondo, Eduardo M.; Oliveira, Paulo Tarso S.

2015-11-01

Various uncertainties are involved in the representation of processes that characterize interactions among societal needs, ecosystem functioning, and hydrological conditions. Here we develop an empirical uncertainty assessment of water security indicators that characterize scarcity and vulnerability, based on a multimodel and resampling framework. We consider several uncertainty sources including those related to (i) observed streamflow data; (ii) hydrological model structure; (iii) residual analysis; (iv) the method for defining Environmental Flow Requirement; (v) the definition of critical conditions for water provision; and (vi) the critical demand imposed by human activities. We estimate the overall hydrological model uncertainty by means of a residual bootstrap resampling approach, and by uncertainty propagation through different methodological arrangements applied to a 291 km2 agricultural basin within the Cantareira water supply system in Brazil. Together, the two-component hydrograph residual analysis and the block bootstrap resampling approach result in a more accurate and precise estimate of the uncertainty (95% confidence intervals) in the simulated time series. We then compare the uncertainty estimates associated with water security indicators using a multimodel framework and the uncertainty estimates provided by each model uncertainty estimation approach. The range of values obtained for the water security indicators suggests that the models/methods are robust and performs well in a range of plausible situations. The method is general and can be easily extended, thereby forming the basis for meaningful support to end-users facing water resource challenges by enabling them to incorporate a viable uncertainty analysis into a robust decision-making process.

Benthic macroinvertebrates response to water management in a lowland river: effects of hydro-power vs irrigation off-stream diversions.

PubMed

Salmaso, Francesca; Crosa, Giuseppe; Espa, Paolo; Gentili, Gaetano; Quadroni, Silvia; Zaccara, Serena

2017-12-20

An eco-hydraulic survey of the highly regulated Adda River (northern Italy) was carried out to highlight the ecological implications of the current water management, including minimum flows (MFs) set as environmental protection measures. Macroinvertebrates, flows, and other main physico-chemical parameters were monitored from 2010 to 2012 at seven sites located in two river reaches characterized by different water abstraction schemes. In the upper part of the river, water is mainly diverted for hydro-power, and, in water-depleted reaches, discharges equalled MF for more than 100 days y -1 , mainly during winter. In the downstream river reach, where irrigation use prevails, discharges were on average three times higher than in the upper part of the river, and flow values similar to MF were detected only for short periods during summer. The two resulting streamflow patterns seem to have shaped different benthic communities, superimposing to the natural downstream variation. The upper reach is characterized by univoltine taxa, while the lower reach by multivoltine taxa adapted to a more disturbed environment. Chironomidae, a well-known tolerant benthic family, dominated at a site affected by point-source pollution, which turned out to be another determinant of macroinvertebrate community. Despite these differences among sites in the benthic community structure, the current water management seems to allow, for all of the investigated river sites, the achievement of the good ecological status as defined by the local law set in accomplishment of the Water Framework Directive.

A modular finite-element model (MODFE) for areal and axisymmetric ground-water-flow problems, Part 3: Design philosophy and programming details

USGS Publications Warehouse

Torak, L.J.

1993-01-01

A MODular Finite-Element, digital-computer program (MODFE) was developed to simulate steady or unsteady-state, two-dimensional or axisymmetric ground-water-flow. The modular structure of MODFE places the computationally independent tasks that are performed routinely by digital-computer programs simulating ground-water flow into separate subroutines, which are executed from the main program by control statements. Each subroutine consists of complete sets of computations, or modules, which are identified by comment statements, and can be modified by the user without affecting unrelated computations elsewhere in the program. Simulation capabilities can be added or modified by either adding or modifying subroutines that perform specific computational tasks, and the modular-program structure allows the user to create versions of MODFE that contain only the simulation capabilities that pertain to the ground-water problem of interest. MODFE is written in a Fortran programming language that makes it virtually device independent and compatible with desk-top personal computers and large mainframes. MODFE uses computer storage and execution time efficiently by taking advantage of symmetry and sparseness within the coefficient matrices of the finite-element equations. Parts of the matrix coefficients are computed and stored as single-subscripted variables, which are assembled into a complete coefficient just prior to solution. Computer storage is reused during simulation to decrease storage requirements. Descriptions of subroutines that execute the computational steps of the modular-program structure are given in tables that cross reference the subroutines with particular versions of MODFE. Programming details of linear and nonlinear hydrologic terms are provided. Structure diagrams for the main programs show the order in which subroutines are executed for each version and illustrate some of the linear and nonlinear versions of MODFE that are possible. Computational aspects of changing stresses and boundary conditions with time and of mass-balance and error terms are given for each hydrologic feature. Program variables are listed and defined according to their occurrence in the main programs and in subroutines. Listings of the main programs and subroutines are given.

Dam-Break Flooding and Structural Damage in a Residential Neighborhood: Performance of a coupled hydrodynamic-damage model

NASA Astrophysics Data System (ADS)

Sanders, B. F.; Gallegos, H. A.; Schubert, J. E.

2011-12-01

The Baldwin Hills dam-break flood and associated structural damage is investigated in this study. The flood caused high velocity flows exceeding 5 m/s which destroyed 41 wood-framed residential structures, 16 of which were completed washed out. Damage is predicted by coupling a calibrated hydrodynamic flood model based on the shallow-water equations to structural damage models. The hydrodynamic and damage models are two-way coupled so building failure is predicted upon exceedance of a hydraulic intensity parameter, which in turn triggers a localized reduction in flow resistance which affects flood intensity predictions. Several established damage models and damage correlations reported in the literature are tested to evaluate the predictive skill for two damage states defined by destruction (Level 2) and washout (Level 3). Results show that high-velocity structural damage can be predicted with a remarkable level of skill using established damage models, but only with two-way coupling of the hydrodynamic and damage models. In contrast, when structural failure predictions have no influence on flow predictions, there is a significant reduction in predictive skill. Force-based damage models compare well with a subset of the damage models which were devised for similar types of structures. Implications for emergency planning and preparedness as well as monetary damage estimation are discussed.

A parametric study on hydraulic conductivity and self-healing properties of geotextile clay liners used in landfills.

PubMed

Parastar, Fatemeh; Hejazi, Sayyed Mahdi; Sheikhzadeh, Mohammad; Alirezazadeh, Azam

2017-11-01

Nowadays, the raise of excessive generation of solid wastes is considered as a major environmental concern due to the fast global population growth. The contamination of groundwater from landfill leachate compromises every living creature. Geotextile clay liner (GCL) that has a sandwich structure with two fibrous sheets and a clay core can be considered as an engineered solution to prevent hazardous pollutants from entering into groundwater. The main objective of the present study is therefore to enhance the performance of GCL structures. By changing some structural factors such as clay type (sodium vs. calcium bentonite), areal density of clay, density of geotextile, geotextile thickness, texture type (woven vs. nonwoven), and needle punching density a series of GCL samples were fabricated. Water pressure, type of cover soil and overburden pressure were the environmental variables, while the response variables were hydraulic conductivity and self-healing rate of GCL. Rigid wall constant head permeability test was conducted on all the samples. The outlet water flow was measured and evaluated at a defined time period and the hydraulic conductivity was determined for each sample. In the final stage, self-healing properties of samples were investigated and an analytical model was used to explain the results. It was found that higher Montmorillonite content of clay, overburden pressure, needle punching density and areal density of clay poses better self-healing properties and less hydraulic conductivity, meanwhile, an increase in water pressure increases the hydraulic conductivity. Moreover, the observations were aligned with the analytical model and indicated that higher fiber inclusion as a result of higher needle-punching density produces closer contact between bentonite and fibers, reduces hydraulic conductivity and increases self-healing properties. Copyright © 2017 Elsevier Ltd. All rights reserved.

The effect of a loss of model structural detail due to network skeletonization on contamination warning system design: case studies.

PubMed

Davis, Michael J; Janke, Robert

2018-01-04

The effect of limitations in the structural detail available in a network model on contamination warning system (CWS) design was examined in case studies using the original and skeletonized network models for two water distribution systems (WDSs). The skeletonized models were used as proxies for incomplete network models. CWS designs were developed by optimizing sensor placements for worst-case and mean-case contamination events. Designs developed using the skeletonized network models were transplanted into the original network model for evaluation. CWS performance was defined as the number of people who ingest more than some quantity of a contaminant in tap water before the CWS detects the presence of contamination. Lack of structural detail in a network model can result in CWS designs that (1) provide considerably less protection against worst-case contamination events than that obtained when a more complete network model is available and (2) yield substantial underestimates of the consequences associated with a contamination event. Nevertheless, CWSs developed using skeletonized network models can provide useful reductions in consequences for contaminants whose effects are not localized near the injection location. Mean-case designs can yield worst-case performances similar to those for worst-case designs when there is uncertainty in the network model. Improvements in network models for WDSs have the potential to yield significant improvements in CWS designs as well as more realistic evaluations of those designs. Although such improvements would be expected to yield improved CWS performance, the expected improvements in CWS performance have not been quantified previously. The results presented here should be useful to those responsible for the design or implementation of CWSs, particularly managers and engineers in water utilities, and encourage the development of improved network models.

The effect of a loss of model structural detail due to network skeletonization on contamination warning system design: case studies

NASA Astrophysics Data System (ADS)

Davis, Michael J.; Janke, Robert

2018-05-01

The effect of limitations in the structural detail available in a network model on contamination warning system (CWS) design was examined in case studies using the original and skeletonized network models for two water distribution systems (WDSs). The skeletonized models were used as proxies for incomplete network models. CWS designs were developed by optimizing sensor placements for worst-case and mean-case contamination events. Designs developed using the skeletonized network models were transplanted into the original network model for evaluation. CWS performance was defined as the number of people who ingest more than some quantity of a contaminant in tap water before the CWS detects the presence of contamination. Lack of structural detail in a network model can result in CWS designs that (1) provide considerably less protection against worst-case contamination events than that obtained when a more complete network model is available and (2) yield substantial underestimates of the consequences associated with a contamination event. Nevertheless, CWSs developed using skeletonized network models can provide useful reductions in consequences for contaminants whose effects are not localized near the injection location. Mean-case designs can yield worst-case performances similar to those for worst-case designs when there is uncertainty in the network model. Improvements in network models for WDSs have the potential to yield significant improvements in CWS designs as well as more realistic evaluations of those designs. Although such improvements would be expected to yield improved CWS performance, the expected improvements in CWS performance have not been quantified previously. The results presented here should be useful to those responsible for the design or implementation of CWSs, particularly managers and engineers in water utilities, and encourage the development of improved network models.

Crystal structure and magnetic properties of two isomeric three-dimensional pyromellitate-containing cobalt(II) complexes.

PubMed

Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina

2008-09-15

The hydrothermal preparation, crystal structure determination, and magnetic study of two isomers made up of 1,2,4,5-benzenetetracarboxylate and high-spin Co(II) ions of formula [Co2(bta)(H2O)4]n x 2n H2O (1 and 2; H4bta = 1,2,4,5-benzenetetracarboxylic acid) are reported. 1 and 2 are three-dimensional compounds whose structures can be described as (4,4) rectangular layers of trans-diaquacobalt(II) units with the bta(4-) anion acting as tetrakis-monodentate ligand through the four carboxylate groups, which are further connected through other trans-[Co(H2O)2](2+) (1) and planar [Co(H2O)4](2+) (2) entities, with the bridging units being a carboxylate group in either the anti-syn (1) or syn-syn (2) conformations and a water molecule (2). The study of the magnetic properties of 1 and 2 in the temperature range 1.9-300 K shows the occurrence of weak antiferromagnetic interactions between the high-spin Co(II) ions, with the strong decrease of chi(M)T upon cooling being mainly due to the depopulation of the higher energy Kramers doublets of the six-coordinated Co(II) ions. The computed values of the exchange coupling between the Co(II) ions across anti-syn carboxylate (1) and syn-syn carboxylate/water (2) bridges are J = -0.060 (1) and -1.90 (2) cm(-1) (with the Hamiltonian being defined as H = -Jsigma(i,j)S(i) x S(j)). These values follow the different conformations of the carboxylate bridge in 1 (anti-syn) and 2 (syn-syn) with the occurrence of a double bridge in 2 (water/carboxylate).

Global Change adaptation in water resources management: the Water Change project.

PubMed

Pouget, Laurent; Escaler, Isabel; Guiu, Roger; Mc Ennis, Suzy; Versini, Pierre-Antoine

2012-12-01

In recent years, water resources management has been facing new challenges due to increasing changes and their associated uncertainties, such as changes in climate, water demand or land use, which can be grouped under the term Global Change. The Water Change project (LIFE+ funding) developed a methodology and a tool to assess the Global Change impacts on water resources, thus helping river basin agencies and water companies in their long term planning and in the definition of adaptation measures. The main result of the project was the creation of a step by step methodology to assess Global Change impacts and define strategies of adaptation. This methodology was tested in the Llobregat river basin (Spain) with the objective of being applicable to any water system. It includes several steps such as setting-up the problem with a DPSIR framework, developing Global Change scenarios, running river basin models and performing a cost-benefit analysis to define optimal strategies of adaptation. This methodology was supported by the creation of a flexible modelling system, which can link a wide range of models, such as hydrological, water quality, and water management models. The tool allows users to integrate their own models to the system, which can then exchange information among them automatically. This enables to simulate the interactions among multiple components of the water cycle, and run quickly a large number of Global Change scenarios. The outcomes of this project make possible to define and test different sets of adaptation measures for the basin that can be further evaluated through cost-benefit analysis. The integration of the results contributes to an efficient decision-making on how to adapt to Global Change impacts. Copyright © 2012 Elsevier B.V. All rights reserved.

7 CFR 1410.2 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-01-01

... energy. Filter strip means a strip or area of vegetation adjacent to a body of water the purpose of which... water being drawn for public use, as defined for public use by the Safe Drinking Water Act, as amended...

7 CFR 1410.2 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-01-01

... energy. Filter strip means a strip or area of vegetation adjacent to a body of water the purpose of which... water being drawn for public use, as defined for public use by the Safe Drinking Water Act, as amended...

7 CFR 1410.2 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-01-01

... energy. Filter strip means a strip or area of vegetation adjacent to a body of water the purpose of which... water being drawn for public use, as defined for public use by the Safe Drinking Water Act, as amended...

Definition of Free O-H Groups of Water at the Air-Water Interface.

PubMed

Tang, Fujie; Ohto, Tatsuhiko; Hasegawa, Taisuke; Xie, Wen Jun; Xu, Limei; Bonn, Mischa; Nagata, Yuki

2018-01-09

Free O-H groups of water are often found at the water-hydrophobic medium interface, e.g. for water contact with hydrophobic protein residues, or at the water-air interface. In surface-specific vibrational spectroscopic studies using sum-frequency generation (SFG) spectroscopy, free O-H groups are experimentally well characterized in the O-H stretch region by a sharp 3700 cm -1 peak. Although these free O-H groups are often defined as the O-H groups which are not hydrogen-bonded to other water molecules, a direct correlation between such non-hydrogen-bonded O-H groups and the 3700 cm -1 SFG response has been lacking. Our data show that commonly used hydrogen bond definitions do not adequately capture the free O-H groups contributing to the 3700 cm -1 peak. We thus formulate a new definition for capturing the subensemble of the surface free O-H groups using the intermolecular distance and the angle formed by the water dimer, through the comparison of the ∼3700 cm -1 SFG response and the responses from the selected free O-H groups at the HOD-air interface. Using these optimized free O-H group definitions, we infer the fraction of interfacial water molecules with free O-H groups of 28%, a vibrational lifetime of the free O-H groups of 1.3 ps, and the angle formed by the free O-H groups and the surface normal of 67° at the water-air interface. We expect that this improved free O-H group definition can be helpful in exploring the structure and dynamics of the interfacial water.

Effect of Light Water Reactor Water Environments on the Fatigue Life of Reactor Materials

DOE PAGES

Chopra, O. K.; Stevens, G. L.; Tregoning, R.; ...

2017-10-06

The American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (Code) provides rules for the design of Class 1 components of nuclear power plants. Figures I-9.1 through I-9.6 of Appendix I to Section III of the Code specify fatigue design curves for applicable structural materials. However, the Code design curves do not explicitly address the effects of light water reactor (LWR) water environments. Existing fatigue strain-vs.-life (ε-N) laboratory data illustrate potentially significant effects of LWR water environments on the fatigue resistance of pressure vessel and piping steels. Extensive studies have been conducted at Argonne National Laboratory and elsewheremore » since 1990 to investigate the effects of LWR environments on the fatigue life of piping and pressure vessel steels. This article summarizes the results of these studies. Existing fatigue ε-N data were evaluated to identify the various material, environmental, and loading conditions that influence fatigue crack initiation; a methodology for estimating fatigue lives as a function of these parameters was developed. The effects were incorporated into the ASME Code Section III fatigue evaluations in terms of an environmental correction factor, F en, which is defined as the ratio of fatigue life in air at room temperature to the fatigue life in the LWR water environment at reactor operating temperatures. Available fatigue data were used to develop fatigue design curves for carbon and low-alloy steels, austenitic stainless steels, and nickel-chromium-iron (NiCr-Fe) alloys and their weld metals in air at room temperature. A review of the Code Section III fatigue adjustment factors of 2 on strain and 20 on life is also presented and the possible conservatism inherent in the choice of these adjustment factors is evaluated. A brief description of potential effects of neutron irradiation on fatigue crack initiation for these structural materials is also presented.« less