Plant interactions with changes in coverage of biological soil crusts and water regime in Mu Us Sandland, China.

PubMed

Gao, Shuqin; Pan, Xu; Cui, Qingguo; Hu, Yukun; Ye, Xuehua; Dong, Ming

2014-01-01

Plant interactions greatly affect plant community structure. Dryland ecosystems are characterized by low amounts of unpredictable precipitation as well as by often having biological soil crusts (BSCs) on the soil surface. In dryland plant communities, plants interact mostly as they compete for water resources, and the direction and intensity of plant interaction varies as a function of the temporal fluctuation in water availability. Since BSCs influence water redistribution to some extent, a greenhouse experiment was conducted to test the hypothesis that the intensity and direction of plant interactions in a dryland plant community can be modified by BSCs. In the experiment, 14 combinations of four plant species (Artemisia ordosica, Artemisia sphaerocephala, Chloris virgata and Setaria viridis) were subjected to three levels of coverage of BSCs and three levels of water supply. The results show that: 1) BSCs affected plant interaction intensity for the four plant species: a 100% coverage of BSCs significantly reduced the intensity of competition between neighboring plants, while it was highest with a 50% coverage of BSCs in combination with the target species of A. sphaerocephala and C. virgata; 2) effects of the coverage of BSCs on plant interactions were modified by water regime when the target species were C. virgata and S. viridis; 3) plant interactions were species-specific. In conclusion, the percent coverage of BSCs affected plant interactions, and the effects were species-specific and could be modified by water regimes. Further studies should focus on effects of the coverage of BSCs on plant-soil hydrological processes.

Shifts in water availability mediate plant-pollinator interactions.

PubMed

Gallagher, M Kate; Campbell, Diane R

2017-07-01

Altered precipitation patterns associated with anthropogenic climate change are expected to have many effects on plants and insect pollinators, but it is unknown if effects on pollination are mediated by changes in water availability. We tested the hypothesis that impacts of climate on plant-pollinator interactions operate through changes in water availability, and specifically that such effects occur through alteration of floral attractants. We manipulated water availability in two naturally occurring Mertensia ciliata (Boraginaceae) populations using water addition, water reduction and control plots and measured effects on vegetative and floral traits, pollinator visitation and seed set. While most floral trait values, including corolla size and nectar, increased linearly with increasing water availability, in this bumblebee-pollinated species, pollinator visitation peaked at intermediate water levels. Visitation also peaked at an intermediate corolla length, while its relationship to corolla width varied across sites. Seed set, however, increased linearly with water. These results demonstrate the potential for changes in water availability to impact plant-pollinator interactions through pollinator responses to differences in floral attractants, and that the effects of water on pollinator visitation can be nonlinear. Plant responses to changes in resource availability may be an important mechanism by which climate change will affect species interactions. © 2017 The Authors. New Phytologist © 2017 New Phytologist Trust.

OECD MMCI 2-D Core Concrete Interaction (CCI) tests : CCCI-1 test data report-thermalhydraulic results. Rev 0 January 31, 2004.

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

Farmer, M. T.; Lomperski, S.; Aeschlimann, R. W.

The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1)more » resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten coreconcrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-1 experiment, which was conducted on December 19, 2003. Test specifications for CCI-1 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 400 kg PWR core melt, initially containing 8 wt % calcined siliceous concrete, with a specially designed two-dimensional siliceous concrete test section with an initial cross-sectional area of 50 cm x 50 cm. The report begins by providing a summary description of the CCI-1 test apparatus and operating procedures, followed by presentation of the thermal-hydraulic results. The posttest debris examination results will be provided in a subsequent publication. Observations drawn within this report regarding the overall cavity erosion behavior may be subject to revision once the posttest examinations are completed, since these examinations will fully reveal the final cavity shape.« less

OECD MCCI 2-D Core Concrete Interaction (CCI) tests : CCI-2 test data report-thermalhydraulic results, Rev. 0 October 15, 2004.

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

Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.

The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1)more » resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-2 experiment, which was conducted on August 24, 2004. Test specifications for CCI-2 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 400 kg PWR core melt, initially containing 8 wt % Limestone/Common Sand (LCS) concrete, with a specially designed two-dimensional LCS concrete test section with an initial cross-sectional area of 50 cm x 50 cm. The report begins by providing a summary description of the CCI-2 test apparatus and operating procedures, followed by presentation of the thermal-hydraulic results. Detailed posttest debris examination results will be provided in a subsequent publication. Observations drawn within this report regarding the overall cavity erosion behavior may be subject to revision once the posttest examinations are completed, since these examinations will fully reveal the final cavity shape.« less

Occurrence of Diatoms in Lakeside Wells in Northern New Jersey as an Indicator of the Effect of Surface Water on Ground-Water Quality

USGS Publications Warehouse

Reilly, Timothy J.; Walker, Christopher E.; Baehr, Arthur L.; Schrock, Robin M.; Reinfelder, John R.

2006-01-01

In a novel approach for detecting ground-water/surface-water interaction, diatoms were used as an indicator that surface water affects ground-water quality in lakeside communities in northern New Jersey. The presence of diatoms, which are abundant in lakes, in adjacent domestic wells demonstrated that ground water in these lakeside communities was under the direct influence of surface water. Entire diatom frustules were present in 17 of 18 water samples collected in August 1999 from domestic wells in communities surrounding Cranberry Lake and Lake Lackawanna. Diatoms in water from the wells were of the same genus as those found in the lakes. The presence of diatoms in the wells, together with the fact that most static and stressed water levels in wells were below the elevation of the lake surfaces, indicates that ground-water/surface-water interaction is likely. Ground-water/surface-water interaction also probably accounts for the previously documented near-ubiquitous presence of methyl tertiary-butyl ether in the ground-water samples. Recreational use of lakes for motor boating and swimming, the application of herbicides for aquatic weed control, runoff from septic systems and roadways, and the presence of waterfowl all introduce contaminants to the lake. Samples from 4 of the 18 wells contained Navicula spp., a documented significant predictor of Giardia and Cryptosporidium. Because private well owners in New Jersey generally are not required to regularly monitor their wells, and tests conducted by public-water suppliers may not be sensitive to indicators of ground-water/surface-water interaction, these contaminants may remain undetected. The presence of diatoms in wells in similar settings can warn of lake/well interactions in the absence of other indicators.

Interaction of Metabolic Stress with Chronic Mild Stress in Altering Brain Cytokines and Sucrose Preference

PubMed Central

Remus, Jennifer L.; Stewart, Luke T.; Camp, Robert M.; Novak, Colleen M.; Johnson, John D.

2015-01-01

There is growing evidence that metabolic stressors increase an organism’s risk of depression. Chronic mild stress is a popular animal model of depression and several serendipitous findings have suggested that food deprivation prior to sucrose testing in this model is necessary to observe anhedonic behaviors. Here, we directly tested this hypothesis by exposing animals to chronic mild stress and used an overnight two bottle sucrose test (food ad libitum) on day 5 and 10, then food and water deprive animals overnight and tested their sucrose consumption and preference in a 1h sucrose test the following morning. Approximately 65% of stressed animals consumed sucrose and showed a sucrose preference similar to non-stressed controls in an overnight sucrose test, while 35% showed a decrease in sucrose intake and preference. Following overnight food and water deprivation the previously ‘resilient’ animals showed a significant decrease in sucrose preference and greatly reduced sucrose intake. In addition, we evaluated whether the onset of anhedonia following food and water deprivation corresponds to alterations in corticosterone, epinephrine, circulating glucose, or interleukin-1 beta expression in limbic brain areas. While all stressed animals showed adrenal hypertrophy and elevated circulating epinephrine, only stressed animals that were food deprived were hypoglycemic compared to food deprived controls. Additionally, food and water deprivation significantly increased hippocampus IL-1β while food and water deprivation only increased hypothalamus IL-1β in stress susceptible animals. These data demonstrate that metabolic stress of food and water deprivation interacts with chronic stressor exposure to induce physiological and anhedonic responses. PMID:25914924

Beneficial Reuse of Produced and Flowback Water

EPA Pesticide Factsheets

Water reuse and recycling is a significant issue in the development of oil and gas shale plays in the United StatesDrilling operations – 60,000 to 650,000 gallons per wellHydraulic fracturing operations – 3 million to 5 million gallons per wellDefinition of produced water and flowback waterInteractions of water quality constituents as they relate to water reuse and recyclingTesting criteria in the laboratory and field operations

Numerical Analysis of Mixed-Phase Icing Cloud Simulations in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas; Tsao, Jen-Ching; Struk, Peter; Van Zante, Judith

2017-01-01

This presentation describes the development of a numerical model that couples the thermal interaction between ice particles, water droplets, and the flowing gas of an icing wind tunnel for simulation of NASA Glenn Research Centers Propulsion Systems Laboratory (PSL). The ultimate goal of the model is to better understand the complex interactions between the test parameters and have greater confidence in the conditions at the test section of the PSL tunnel. The model attempts to explain the observed changes in test conditions by coupling the conservation of mass and energy equations for both the cloud particles and flowing gas mass. Model predictions were compared to measurements taken during May 2015 testing at PSL, where test conditions varied gas temperature, pressure, velocity and humidity levels, as well as the cloud total water content, particle initial temperature, and particle size distribution.

Numerical Analysis of Mixed-Phase Icing Cloud Simulations in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas P.; Tsao, Jen-Ching; Struk, Peter M.; Van Zante, Judith F.

2017-01-01

This paper describes the development of a numerical model that couples the thermal interaction between ice particles, water droplets, and the flowing gas of an icing wind tunnel for simulation of NASA Glenn Research Centers Propulsion Systems Laboratory (PSL). The ultimate goal of the model is to better understand the complex interactions between the test parameters and have greater confidence in the conditions at the test section of the PSL tunnel. The model attempts to explain the observed changes in test conditions by coupling the conservation of mass and energy equations for both the cloud particles and flowing gas mass. Model predictions were compared to measurements taken during May 2015 testing at PSL, where test conditions varied gas temperature, pressure, velocity and humidity levels, as well as the cloud total water content, particle initial temperature, and particle size distribution.

Water repellency and dimensional stability of wood

Treesearch

Roger M. Rowell; W. Bart Banks

1985-01-01

A discussion of the interaction between wood and water makes clear the distinction between water repellency of wood (a rate of change) and dimensional stability (a level of equilibrium). A review of methods of treating wood follows, leading to comparison of their effectiveness, description of test procedures to evaluate treatments, and discussion of deficiencies of the...

Investigation of groundwater-seawater interactions: a review

NASA Astrophysics Data System (ADS)

Purwoarminta, A.; Moosdorf, N.; Delinom, R. M.

2018-02-01

This paper is to review how to investigate the interactions between groundwater and seawater. Those interactions divide into two, which are submarine groundwater discharge and seawater intrusion. This investigation is important because the interactions can give impact to coastal aquifer and marine ecosystem. On land, fresh groundwater is vulnerable to seawater disturbance. Coastal aquifer is under pressure from abstraction caused by population, industry, and agriculture. The pumping can induce seawater intrusion and land subsidence. Then in marine, seawater mixes with freshwater and it decreases salinity. Low salinity will influence marine ecosystem. The ecosystem will be disturbed by groundwater discharge if that water is contaminated. Based on the argue investigation of groundwater-seawater interactions is important and must be accurate because the results are used for coastal water management. To investigate the interactions data, i.e., lithology, pumping tests, hydrochemical data, sea level rise estimates, precipitation data, geophysics, environmental isotopes, and drilling information, should be compiled. The interaction can feed a model to determine how much groundwater extraction happening on coastal areas to prevent seawater intrusion and land subsidence. Water resources management on coasts should consider groundwater-seawater interactions.

Differential heat of adsorption of water vapor on silicified microcrystalline cellulose (SMCC): an investigation using isothermal microcalorimetry.

PubMed

Qian, Ken K; Bogner, Robin H

2011-01-01

A novel dual-shaft configuration in isothermal microcalorimetry was developed to study the interaction of water vapor with pharmaceutical excipients. An instrument performance test is suggested to validate the experimental data. Reliable experimental results can be collected using a single perfusion shaft; however, there was limitation of the dual-shaft configuration, which resulted deviation in the experimental results. A periodic performance test is recommended. Silicified microcrystalline cellulose (SMCC) was used as a model system to study the interaction using the dual-shaft method. Enthalpy of water vapor adsorption on SMCC was determined and compared to literature data. The data collected using the dual-shaft configuration did not reflect the actual physical system. The deviation was most likely due to the lack of flow control caused by viscous resistance. The enthalpy of adsorption was then calculated using isothermal microcalorimetry coupled with a dynamic vapor sorption apparatus. The results, -55 kJ/mol at low relative humidity (RH) to -22 kJ/mol at high RH, were consistent with the physical phenomenon of water vapor adsorption. Enthalpy of adsorption showed surface heterogeneity of SMCC and suggested multilayer condensation of water at approximately 60% RH. However, at high RH, the results showed the moisture-excipient interaction can be more complex than the proposed mechanism.

Validation of a new device to quantify groundwater-surface water exchange

NASA Astrophysics Data System (ADS)

Cremeans, Mackenzie M.; Devlin, J. F.

2017-11-01

Distributions of flow across the groundwater-surface water interface should be expected to be as complex as the geologic deposits associated with stream or lake beds and their underlying aquifers. In these environments, the conventional Darcy-based method of characterizing flow systems (near streams) has significant limitations, including reliance on parameters with high uncertainties (e.g., hydraulic conductivity), the common use of drilled wells in the case of streambank investigations, and potentially lengthy measurement times for aquifer characterization and water level measurements. Less logistically demanding tools for quantifying exchanges across streambeds have been developed and include drive-point mini-piezometers, seepage meters, and temperature profiling tools. This project adds to that toolbox by introducing the Streambed Point Velocity Probe (SBPVP), a reusable tool designed to quantify groundwater-surface water interactions (GWSWI) at the interface with high density sampling, which can effectively, rapidly, and accurately complement conventional methods. The SBPVP is a direct push device that measures in situ water velocities at the GWSWI with a small-scale tracer test on the probe surface. Tracer tests do not rely on hydraulic conductivity or gradient information, nor do they require long equilibration times. Laboratory testing indicated that the SBPVP has an average accuracy of ± 3% and an average precision of ± 2%. Preliminary field testing, conducted in the Grindsted Å in Jutland, Denmark, yielded promising agreement between groundwater fluxes determined by conventional methods and those estimated from the SBPVP tests executed at similar scales. These results suggest the SBPVP is a viable tool to quantify groundwater-surface water interactions in high definition in sandy streambeds.

Predicting Displaceable Water Sites Using Mixed-Solvent Molecular Dynamics.

PubMed

Graham, Sarah E; Smith, Richard D; Carlson, Heather A

2018-02-26

Water molecules are an important factor in protein-ligand binding. Upon binding of a ligand with a protein's surface, waters can either be displaced by the ligand or may be conserved and possibly bridge interactions between the protein and ligand. Depending on the specific interactions made by the ligand, displacing waters can yield a gain in binding affinity. The extent to which binding affinity may increase is difficult to predict, as the favorable displacement of a water molecule is dependent on the site-specific interactions made by the water and the potential ligand. Several methods have been developed to predict the location of water sites on a protein's surface, but the majority of methods are not able to take into account both protein dynamics and the interactions made by specific functional groups. Mixed-solvent molecular dynamics (MixMD) is a cosolvent simulation technique that explicitly accounts for the interaction of both water and small molecule probes with a protein's surface, allowing for their direct competition. This method has previously been shown to identify both active and allosteric sites on a protein's surface. Using a test set of eight systems, we have developed a method using MixMD to identify conserved and displaceable water sites. Conserved sites can be determined by an occupancy-based metric to identify sites which are consistently occupied by water even in the presence of probe molecules. Conversely, displaceable water sites can be found by considering the sites which preferentially bind probe molecules. Furthermore, the inclusion of six probe types allows the MixMD method to predict which functional groups are capable of displacing which water sites. The MixMD method consistently identifies sites which are likely to be nondisplaceable and predicts the favorable displacement of water sites that are known to be displaced upon ligand binding.

A study on flexural and water absorption of surface modified rice husk flour/E-glass/polypropylene hybrid composite

NASA Astrophysics Data System (ADS)

Rassiah, K.; Sin, T. W.; Ismail, M. Z.

2016-10-01

This work is to study the effects of rice husk (RH)/E-Glass (EG)/polypropylene (PP) hybrid composites in terms of flexural and water absorption properties. The tests conducted are the flexural test and also the water absorption test using two types of water: distilled and sea water. The hybrid composites are prepared with various ratios of fibre weight fractions and the rice husk is treated using 2% Sodium Hydroxide (NaOH) to improve interaction and adhesion between the non-polar matrix and the polar lignocellulosic fibres. It was found that the content of rice husk/E-Glass fillers affected the structural integrity and flexural properties of hybrid composites. In addition, a higher ratio of rice husk contributes to higher water absorption in the hybrid composites.

Channel water balance and exchange with subsurface flow along a mountain headwater stream in Montana, United States

Treesearch

R.A. Payn; M.N. Gooseff; B.L. McGlynn; K.E. Bencala; S.M. Wondzell

2009-01-01

Channel water balances of contiguous reaches along streams represent a poorly understood scale of stream-subsurface interaction. We measured reach water balances along a headwater stream in Montana, United States, during summer base flow recessions. Reach water balances were estimated from series of tracer tests in 13 consecutive reaches delineated evenly along a 2.6-...

Water Energy Simulation Toolset

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

Nguyen, Thuy; Jeffers, Robert

The Water-Energy Simulation Toolset (WEST) is an interactive simulation model that helps visualize impacts of different stakeholders on water quantity and quality of a watershed. The case study is applied for the Snake River Basin with the fictional name Cutthroat River Basin. There are four groups of stakeholders of interest: hydropower, agriculture, flood control, and environmental protection. Currently, the quality component depicts nitrogen-nitrate contaminant. Users can easily interact with the model by changing certain inputs (climate change, fertilizer inputs, etc.) to observe the change over the entire system. Users can also change certain parameters to test their management policy.

Water-tunnel investigation of concepts for alleviation of adverse inlet spillage interactions with external stores

NASA Technical Reports Server (NTRS)

Neuhart, Dan H.; Rhode, Matthew N.

1990-01-01

A test was conducted in the NASA Langley 16- by 24-Inch Water Tunnel to study alleviation of the adverse interactions of inlet spillage flow on the external stores of a fighter aircraft. A 1/48-scale model of a fighter aircraft was used to simulate the flow environment around the aircraft inlets and on the downstream underside of the fuselage. A controlled inlet mass flow was simulated by drawing water into the inlets. Various flow control devices were used on the underside of the aircraft model to manipulate the vortical inlet spillage flow.

OECD MCCI project 2-D Core Concrete Interaction (CCI) tests : CCI-3 test data report-thermalhydraulic results. Rev. 0 October 15, 2005.

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

Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.

The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1)more » resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of a third long-term 2-D Core-Concrete Interaction (CCI) experiment designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-3 experiment, which was conducted on September 22, 2005. Test specifications for CCI-3 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 375 kg PWR core melt, initially containing 15 wt% siliceous concrete, with a specially designed two-dimensional siliceous concrete test section with an initial cross-sectional area of 50 cm x 50 cm. The sand and aggregate constituents for this particular siliceous concrete were provided by CEA as an in-kind contribution to the program. The report begins by providing a summary description of the CCI-3 test apparatus and operating procedures, followed by presentation of the thermal-hydraulic results. Detailed posttest debris examination results will be provided in a subsequent publication. Observations drawn within this report regarding the overall cavity erosion behavior may be subject to revision once the posttest examinations are completed, since these examinations will fully reveal the final cavity shape.« less

Water trimer torsional spectrum from accurate ab initio and semiempirical potentials

NASA Astrophysics Data System (ADS)

van der Avoird, Ad; Szalewicz, Krzysztof

2008-01-01

The torsional levels of (H2O)3 and (D2O)3 were calculated in a restricted dimensionality (three-dimensional) model with several recently proposed water potentials. Comparison with the experimental data provides a critical test, not only of the pair interactions that have already been probed on the water dimer spectra, but also of the nonadditive three-body contributions to the potential. The purely ab initio CC-pol and HBB potentials that were previously shown to yield very accurate water dimer levels, also reproduce the trimer levels well when supplemented with an appropriate three-body interaction potential. The TTM2.1 potential gives considerably less good agreement with experiment. Also the semiempirical VRT(ASP-W)III potential, fitted to the water dimer vibration-rotation-tunneling levels, gives substantial disagreement with the measured water trimer levels, which shows that the latter probe the potential for geometries other than those probed by the dimer spectrum. Although the three-body nonadditive interactions significantly increase the stability of the water trimer, their effect on the torsional energy barriers and vibration-tunneling frequencies is less significant.

Designing heteropolymers to fold into unique structures via water-mediated interactions.

PubMed

Jamadagni, Sumanth N; Bosoy, Christian; Garde, Shekhar

2010-10-28

Hydrophobic homopolymers collapse into globular structures in water driven by hydrophobic interactions. Here we employ extensive molecular dynamics simulations to study the collapse of heteropolymers containing one or two pairs of oppositely charged monomers. We show that charging a pair of monomers can dramatically alter the most stable conformations from compact globular to more open hairpin-like. We systematically explore a subset of the sequence space of one- and two-charge-pair polymers, focusing on the locations of the charge pairs. Conformational stability is governed by a balance of hydrophobic interactions, hydration and interactions of charge groups, water-mediated charged-hydrophobic monomer repulsions, and other factors. As a result, placing charge pairs in the middle, away from the hairpin ends, leads to stable hairpin-like structures. Turning off the monomer-water attractions enhances hydrophobic interactions significantly leading to a collapse into compact globular structures even for two-charge-pair heteropolymers. In contrast, the addition of salt leads to open and extended structures, suggesting that solvation of charged monomer sites by salt ions dominates the salt-induced enhancement of hydrophobic interactions. We also test the ability of a predictive scheme based on the additivity of free energy of contact formation. The success of the scheme for symmetric two-charge-pair sequences and the failure for their flipped versions highlight the complexity of the heteropolymer conformation space and of the design problem. Collectively, our results underscore the ability of tuning water-mediated interactions to design stable nonglobular structures in water and present model heteropolymers for further studies in the extended thermodynamic space and in inhomogeneous environments.

Cooling of core debris and the impact on containment pressure

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

Yang, J.W.

1981-07-01

An evaluation of the core debris/water interactions associated with a postulated meltdown of a PWR and its impact on the containment pressure is presented. In the event of a complete core meltdown in a PWR, the interaction of molten debris with water in the bottom head of the reactor vessel could result in complete evaporation of water and breach of the vessel wall. In the reactor cavity, the debris-water interaction may lead to a rapid generation of steam, which could lead to pressures beyond the containment building limit. Previous analysis of the debris-water interactions with the MARCH code was basedmore » on the single-sphere model, in which the internal and surface heat transfer are the controlling mechanisms. In this study, the potential in-vessel and ex-vessel debris-water interactions are analyzed in terms of porous debris bed models. The debris cooling and steam generation are controlled by the hydrodynamics of the two-phase flow. The porous models developed by Dhir-Catton and by Lipinski were examined and used to test their impact on containment dynamics. The tests include several particle sizes from 1 mm to 50 mm. Detailed transient data on the pressure, temperature, and mass of steam in the containment building was obtained for all cases. Bands of pressure variation which represents the possible pressure rise under accident conditions were obtained for the Dhir-Catton model and for the Lipinski model. The results show that, for the case of a wet cavity, the magnitude of the predicted pressure rises is not strongly affected by the different models. The occurrence of the peak pressure, however, is considerably delayed by using the debris bed model. For the case of a dry cavity, a large reduction of the peak pressure is obtained by using the debris bed model.« less

Coarse-Grained Model for Water Involving a Virtual Site.

PubMed

Deng, Mingsen; Shen, Hujun

2016-02-04

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

Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuating charge and flexible body water potential function for water clusters.

PubMed

Yang, Zhong-Zhi; Wu, Yang; Zhao, Dong-Xia

2004-02-08

Recently, experimental and theoretical studies on the water system are very active and noticeable. A transferable intermolecular potential seven points approach including fluctuation charges and flexible body (ABEEM-7P) based on a combination of the atom-bond electronegativity equalization and molecular mechanics (ABEEM/MM), and its application to small water clusters are explored and tested in this paper. The consistent combination of ABEEM and molecular mechanics (MM) is to take the ABEEM charges of atoms, bonds, and lone-pair electrons into the intermolecular electrostatic interaction term in molecular mechanics. To examine the charge transfer we have used two models coming from the charge constraint types: one is a charge neutrality constraint on whole water system and the other is on each water molecule. Compared with previous water force fields, the ABEEM-7P model has two characters: (1) the ABEEM-7P model not only presents the electrostatic interaction of atoms, bonds and lone-pair electrons and their changing in respond to different ambient environment but also introduces "the hydrogen bond interaction region" in which a new parameter k(lp,H)(R(lp,H)) is used to describe the electrostatic interaction of the lone-pair electron and the hydrogen atom which can form the hydrogen bond; (2) nonrigid but flexible water body permitting the vibration of the bond length and angle is allowed due to the combination of ABEEM and molecular mechanics, and for van der Waals interaction the ABEEM-7P model takes an all atom-atom interaction, i.e., oxygen-oxygen, hydrogen-hydrogen, oxygen-hydrogen interaction into account. The ABEEM-7P model based on ABEEM/MM gives quite accurate predictions for gas-phase state properties of the small water clusters (H(2)O)(n) (n=2-6), such as optimized geometries, monomer dipole moments, vibrational frequencies, and cluster interaction energies. Due to its explicit description of charges and the hydrogen bond, the ABEEM-7P model will be applied to discuss properties of liquid water, ice, aqueous solutions, and biological systems.

Using CONFIG for Simulation of Operation of Water Recovery Subsystems for Advanced Control Software Evaluation

NASA Technical Reports Server (NTRS)

Malin, Jane T.; Flores, Luis; Fleming, Land; Throop, Daiv

2002-01-01

A hybrid discrete/continuous simulation tool, CONFIG, has been developed to support evaluation of the operability life support systems. CON FIG simulates operations scenarios in which flows and pressures change continuously while system reconfigurations occur as discrete events. In simulations, intelligent control software can interact dynamically with hardware system models. CONFIG simulations have been used to evaluate control software and intelligent agents for automating life support systems operations. A CON FIG model of an advanced biological water recovery system has been developed to interact with intelligent control software that is being used in a water system test at NASA Johnson Space Center

Modeling and optimization of trihalomethanes formation potential of surface water (a drinking water source) using Box-Behnken design.

PubMed

Singh, Kunwar P; Rai, Premanjali; Pandey, Priyanka; Sinha, Sarita

2012-01-01

The present research aims to investigate the individual and interactive effects of chlorine dose/dissolved organic carbon ratio, pH, temperature, bromide concentration, and reaction time on trihalomethanes (THMs) formation in surface water (a drinking water source) during disinfection by chlorination in a prototype laboratory-scale simulation and to develop a model for the prediction and optimization of THMs levels in chlorinated water for their effective control. A five-factor Box-Behnken experimental design combined with response surface and optimization modeling was used for predicting the THMs levels in chlorinated water. The adequacy of the selected model and statistical significance of the regression coefficients, independent variables, and their interactions were tested by the analysis of variance and t test statistics. The THMs levels predicted by the model were very close to the experimental values (R(2) = 0.95). Optimization modeling predicted maximum (192 μg/l) TMHs formation (highest risk) level in water during chlorination was very close to the experimental value (186.8 ± 1.72 μg/l) determined in laboratory experiments. The pH of water followed by reaction time and temperature were the most significant factors that affect the THMs formation during chlorination. The developed model can be used to determine the optimum characteristics of raw water and chlorination conditions for maintaining the THMs levels within the safe limit.

Fatigue crack growth in 7475-T651 aluminum alloy plate in hard vacuum and water vapor. M.S. Thesis - George Washington Univ.

NASA Technical Reports Server (NTRS)

Dicus, D. L.

1981-01-01

Compact specimens of 25 mm thick aluminum alloy plate were subjected to constant amplitude fatigue testing at a load ratio of 0.2. Crack growth rates were determined at frequencies of 1 Hz and 10 Hz in hard vacuum and laboratory air, and in mixtures of water vapor and nitrogen at water vapor partial pressures ranging from 94 Pa to 3.8 kPa. A significant effect of water vapor on fatigue crack growth rates was observed at the lowest water vapor pressure tested. Crack rates changed little for pressures up to 1.03 kPa, but abruptly accelerated at higher pressures. At low stress intensity factor ranges, cracking rates at the lowest and highest water vapor pressure tested were, respectively, two and five times higher than rates in vacuum. Although a frequency was observed in laboratory air, cracking rates in water vapor and vacuum are insensitive to a ten-fold change in frequency. Surfaces of specimens tested in water vapor and vacuum exhibited different amounts of residual deformation. Reduced deformation on the fracture surfaces of the specimens tested in water vapor suggests embrittlement of the plastic zone ahead of the crack tip as a result of environmental interaction.

Hydraulic lift and tolerance to salinity of semiarid species: consequences for species interactions.

PubMed

Armas, Cristina; Padilla, Francisco M; Pugnaire, Francisco I; Jackson, Robert B

2010-01-01

The different abilities of plant species to use ephemeral or permanent water sources strongly affect physiological performance and species coexistence in water-limited ecosystems. In addition to withstanding drought, plants in coastal habitats often have to withstand highly saline soils, an additional ecological stress. Here we tested whether observed competitive abilities and C-water relations of two interacting shrub species from an arid coastal system were more related to differences in root architecture or salinity tolerance. We explored water sources of interacting Juniperus phoenicea Guss. and Pistacia lentiscus L. plants by conducting physiology measurements, including water relations, CO2 exchange, photochemical efficiency, sap osmolality, and water and C isotopes. We also conducted parallel soil analyses that included electrical conductivity, humidity, and water isotopes. During drought, Pistacia shrubs relied primarily on permanent salty groundwater, while isolated Juniperus plants took up the scarce and relatively fresh water stored in upper soil layers. As drought progressed further, the physiological activity of Juniperus plants nearly stopped while Pistacia plants were only slightly affected. Juniperus plants growing with Pistacia had stem-water isotopes that matched Pistacia, unlike values for isolated Juniperus plants. This result suggests that Pistacia shrubs supplied water to nearby Juniperus plants through hydraulic lift. This lifted water, however, did not appear to benefit Juniperus plants, as their physiological performance with co-occurring Pistacia plants was poor, including lower water potentials and rates of photosynthesis than isolated plants. Juniperus was more salt sensitive than Pistacia, which withstood salinity levels similar to that of groundwater. Overall, the different abilities of the two species to use salty water appear to drive the outcome of their interaction, resulting in asymmetric competition where Juniperus is negatively affected by Pistacia. Salt also seems to mediate the interaction between the two species, negating the potential positive effects of an additional water source via hydraulic lift.

A microfluidic approach to water-rock interactions using thin rock sections: Pb and U sorption onto thin shale and granite sections.

PubMed

Oh, Youn Soo; Jo, Ho Young; Ryu, Ji-Hun; Kim, Geon-Young

2017-02-15

The feasibility of using microfluidic tests to investigate water-rock (mineral) interactions in fractures regarding sorption onto thin rock sections (i.e., shale and granite) of lead (Pb) and uranium (U) was evaluated using a synthetic PbCl 2 solution and uranium-containing natural groundwater as fluids. Effluent composition and element distribution on the thin rock sections before and after microfluidic testing were analyzed. Most Pb removal (9.8mg/cm 2 ) occurred within 3.5h (140 PVF), which was 74% of the total Pb removal (13.2mg/cm 2 ) at the end of testing (14.5h, 560 PVF). Element composition on the thin shale sections determined by μ-XRF analysis indicated that Pb removal was related primarily to Fe-containing minerals (e.g., pyrite). Two thin granite sections (biotite rich, Bt-R and biotite poor, Bt-P) exhibited no marked difference in uranium removal capacity, but a slightly higher amount of uranium was removed onto the thin Bt-R section (266μg/cm 2 ) than the thin Bt-P section (240μg/cm 2 ) within 120h (4800 PVF). However, uranium could not be detected by micro X-ray fluorescence (μ-XRF) analysis, likely due to the detection limit. These results suggest that microfluidic testing on thin rock sections enables quantitative evaluation of rock (mineral)-water interactions at the micro-fracture or pore scale. Copyright © 2016 Elsevier B.V. All rights reserved.

Electrostatic and induction effects in the solubility of water in alkanes

NASA Astrophysics Data System (ADS)

Asthagiri, D.; Valiya Parambathu, Arjun; Ballal, Deepti; Chapman, Walter G.

2017-08-01

Experiments show that at 298 K and 1 atm pressure, the transfer free energy, μex, of water from its vapor to liquid normal alkanes CnH2n+2 (n =5 …12 ) is negative. Earlier it was found that with the united-atom TraPPE model for alkanes and the SPC/E model for water, one had to artificially enhance the attractive alkane-water cross interaction to capture this behavior. Here we revisit the calculation of μex using the polarizable AMOEBA and the non-polarizable Charmm General (CGenFF) forcefields. We test both the AMOEBA03 and AMOEBA14 water models; the former has been validated with the AMOEBA alkane model while the latter is a revision of AMOEBA03 to better describe liquid water. We calculate μex using the test particle method. With CGenFF, μex is positive and the error relative to experiments is about 1.5 kBT. With AMOEBA, μex is negative and deviations relative to experiments are between 0.25 kBT (AMOEBA14) and 0.5 kBT (AMOEBA03). Quantum chemical calculations in a continuum solvent suggest that zero point effects may account for some of the deviation. Forcefield limitations notwithstanding, electrostatic and induction effects, commonly ignored in consideration of water-alkane interactions, appear to be decisive in the solubility of water in alkanes.

Appraisal of unimodal cues during agonistic interactions in Maylandia zebra

PubMed Central

Ben Ammar, Imen; Fernandez, Marie S.A.; Boyer, Nicolas; Attia, Joël; Fonseca, Paulo J.; Amorim, M. Clara P.; Beauchaud, Marilyn

2017-01-01

Communication is essential during social interactions including animal conflicts and it is often a complex process involving multiple sensory channels or modalities. To better understand how different modalities interact during communication, it is fundamental to study the behavioural responses to both the composite multimodal signal and each unimodal component with adequate experimental protocols. Here we test how an African cichlid, which communicates with multiple senses, responds to different sensory stimuli in a social relevant scenario. We tested Maylandia zebra males with isolated chemical (urine or holding water coming both from dominant males), visual (real opponent or video playback) and acoustic (agonistic sounds) cues during agonistic interactions. We showed that (1) these fish relied mostly on the visual modality, showing increased aggressiveness in response to the sight of a real contestant but no responses to urine or agonistic sounds presented separately, (2) video playback in our study did not appear appropriate to test the visual modality and needs more technical prospecting, (3) holding water provoked territorial behaviours and seems to be promising for the investigation into the role of the chemical channel in this species. Our findings suggest that unimodal signals are non-redundant but how different sensory modalities interplay during communication remains largely unknown in fish. PMID:28785523

Channel water balance and exchange with subsurface flow along a mountain headwater stream in Montana, United States

USGS Publications Warehouse

Payn, R.A.; Gooseff, M.N.; McGlynn, B.L.; Bencala, K.E.; Wondzell, S.M.

2009-01-01

Channel water balances of contiguous reaches along streams represent a poorly understood scale of stream-subsurface interaction. We measured reach water balances along a headwater stream in Montana, United States, during summer base flow recessions. Reach water balances were estimated from series of tracer tests in 13 consecutive reaches delineated evenly along a 2.6 km valley segment. For each reach, we estimated net change in discharge, gross hydrologic loss, and gross hydrologic gain from tracer dilution and mass recovery. Four series of tracer tests were performed during relatively high, intermediate, and low base flow conditions. The relative distribution of channel water along the stream was strongly related to a transition in valley structure, with a general increase in gross losses through the recession. During tracer tests at intermediate and low flows, there were frequent substantial losses of tracer mass (>10%) that could not be explained by net loss in flow over the reach, indicating that many of the study reaches were concurrently losing and gaining water. For example, one reach with little net change in discharge exchanged nearly 20% of upstream flow with gains and losses along the reach. These substantial bidirectional exchanges suggest that some channel interactions with subsurface flow paths were not measurable by net change in flow or transient storage of recovered tracer. Understanding bidirectional channel water balances in stream reaches along valleys is critical to an accurate assessment of stream solute fate and transport and to a full assessment of exchanges between the stream channel and surrounding subsurface.

Channel water balance and exchange with subsurface flow along a mountain headwater stream in Montana, United States

USGS Publications Warehouse

Payn, R.A.; Gooseff, M.N.; McGlynn, B.L.; Bencala, K.E.; Wondzell, S.M.

2009-01-01

Channel water balances of contiguous reaches along streams represent a poorly understood scale of stream-subsurface interaction. We measured reach water balances along a headwater stream in Montana, United States, during summer base flow recessions. Reach water balances were estimated from series of tracer tests in 13 consecutive reaches delineated evenly along a 2.6 km valley segment. For each reach, we estimated net change in discharge, gross hydrologic loss, and gross hydrologic gain from tracer dilution and mass recovery. Four series of tracer tests were performed during relatively high, intermediate, and low base flow conditions. The relative distribution of channel water along the stream was strongly related to a transition in valley structure, with a general increase in gross losses through the recession. During tracer tests at intermediate and low flows, there were frequent substantial losses of tracer mass (>10%) that could not be explained by net loss in flow over the reach, indicating that many of the study reaches were concurrently losing and gaining water. For example, one reach with little net change in discharge exchanged nearly 20% of upstream flow with gains and losses along the reach. These substantial bidirectional exchanges suggest that some channel interactions with subsurface flow paths were not measurable by net change in flow or transient storage of recovered tracer. Understanding bidirectional channel water balances in stream reaches along valleys is critical to an accurate assessment of stream solute fate and transport and to a full assessment of exchanges between the stream channel and surrounding subsurface. Copyright 2009 by the American Geophysical Union.

Development of Coarse Grained Models for Long Chain Alkanes

NASA Astrophysics Data System (ADS)

Gyawali, Gaurav; Sternfield, Samuel; Hwang, In Chul; Rick, Steven; Kumar, Revati; Rick Group Team; Kumar Group Team

Modeling aggregation in aqueous solution is a challenge for molecular simulations as it involves long time scales, a range of length scales, and the correct balance of hydrophobic and hydrophilic interactions. We have developed a coarse-grained model fast enough for the rapid testing of molecular structures for their aggregation properties. This model, using the Stillinger-Weber potential, achieves efficiency through a reduction in the number of interaction sites and the use of short-ranged interactions. The model can be two to three orders of magnitude more efficient than conventional all atom simulations, yet through a careful parameterization process and the use of many-body interactions can be remarkably accurate. We have developed models for long chain alkanes in water that reproduce the thermodynamics and structure of water-alkane and liquid alkane systems.

Effect of dimethyl sulfoxide on dentin collagen.

PubMed

Mehtälä, P; Pashley, D H; Tjäderhane, L

2017-08-01

Infiltration of adhesive on dentin matrix depends on interaction of surface and adhesive. Interaction depends on dentin wettability, which can be enhanced either by increasing dentin surface energy or lowering the surface energy of adhesive. The objective was to examine the effect of dimethyl sulfoxide (DMSO) on demineralized dentin wettability and dentin organic matrix expansion. Acid-etched human dentin was used for sessile drop contact angle measurement to test surface wetting on 1-5% DMSO-treated demineralized dentin surface, and linear variable differential transformer (LVDT) to measure expansion/shrinkage of dentinal matrix. DMSO-water binary liquids were examined for surface tension changes through concentrations from 0 to 100% DMSO. Kruskal-Wallis and Mann-Whitney tests were used to test the differences in dentin wettability, expansion and shrinkage, and Spearman test to test the correlation between DMSO concentration and water surface tension. The level of significance was p<0.05. Pretreatment with 1-5% DMSO caused statistically significant concentration-dependent increase in wetting: the immediate contact angles decreased by 11.8% and 46.6% and 60s contact angles by 9.5% and 47.4% with 1% and 5% DMSO, respectively. DMSO-water mixtures concentration-dependently expanded demineralized dentin samples less than pure water, except with high (≥80%) DMSO concentrations which expanded demineralized dentin more than water. Drying times of LVDT samples increased significantly with the use of DMSO. Increased dentin wettability may explain the previously demonstrated increase in adhesive penetration with DMSO-treated dentin, and together with the expansion of collagen matrix after drying may also explain previously observed increase in dentin adhesive bonding. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Influence of gaseous hydrogen on the mechanical properties of incoloy 903. [gas-metal interactions/iron alloys

NASA Technical Reports Server (NTRS)

1975-01-01

Solid specimens of the alloy Inconel 903 (iron based alloy) were exposed to four gaseous environments and high temperatures. Air, pure helium, pure hydrogen, and hydrogen and water vapor combined were the gaseous environments employed, and the temperature was 1400 F. Various mechanical property tests (low cycle fatigue, creep-rupture, tensile properties) were performed on the alloy. Results indicate that the hydrogen and water vapor environment cause a sharp reduction in the mechanical properties of the alloy. Photographs of the test equipment used and the microstructure of the tested alloy are included.

Experimental studies of thermal and chemical interactions between molten aluminum and water

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

Farahani, A.A.; Corradini, M.L.

The possibility of rapid physical and chemical aluminum/water interactions during a core melt accident in a noncommercial reactor (e.g., HFIR, ATR) has resulted in extensive research to determine the mechanism by which these interactions occur and propagate on an explosive time scale. These events have been reported in nuclear testing facilities, i.e., during SPERT 1D experiment, and also in aluminum casting industries. Although rapid chemical reactions between molten aluminum and water have been subject of many studies, very few reliable measurements of the extent of the chemical reactions have thus far been made. We have modified an existing 1-D shockmore » tube facility to perform experiments in order to determine the extent of the explosive thermal/chemical interactions between molton aluminum and water by measuring important physical quantities such as the maximum dynamic pressure and the amount of the generated hydrogen. Experimental results show that transient pressures greater than 69 MPa with a rise time of less than 125 {mu}sec can occur as the result of the chemical reaction of 4.2 grams of molton aluminum (approximately 15% of the total mass of the fuel of 28 grams) at 980 C with room temperature water.« less

The Relationships between Cognitive Ability and Dynamic Decision Making

ERIC Educational Resources Information Center

Gonzalez, C.; Thomas, R.P.; Vanyukov, P.

2005-01-01

This study investigated the relationships between cognitive ability (as assessed by the Raven Progressive Matrices Test [RPM] and the Visual-Span Test [VSPAN]) and individuals' performance in three dynamic decision making (DDM) tasks (i.e., regular Water Purification Plant [WPP], Team WPP, and Firechief). Participants interacted repeatedly with…

Body condition of Morelet’s Crocodiles (Crocodylus moreletii) from northern Belize

USGS Publications Warehouse

Mazzotti, Frank J.; Cherkiss, Michael S.; Brandt, Laura A.; Fujisaki, Ikuko; Hart, Kristen; Jeffery, Brian; McMurry, Scott T.; Platt, Steven G.; Rainwater, Thomas R.; Vinci, Joy

2012-01-01

Body condition factors have been used as an indicator of health and well-being of crocodilians. We evaluated body condition of Morelet's Crocodiles (Crocodylus moreletii) in northern Belize in relation to biotic (size, sex, and habitat) and abiotic (location, water level, and air temperature) factors. We also tested the hypothesis that high water levels and warm temperatures combine or interact to result in a decrease in body condition. Size class, temperature, and water level explained 20% of the variability in condition of Morelet's Crocodiles in this study. We found that adult crocodiles had higher condition scores than juveniles/subadults but that sex, habitat, and site had no effect. We confirmed our hypothesis that warm temperatures and high water levels interact to decrease body condition. We related body condition of Morelet's Crocodiles to natural fluctuations in air temperatures and water levels in northern Belize, providing baseline conditions for population and ecosystem monitoring.

Reduced Point Charge Models of Proteins: Effect of Protein-Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems.

PubMed

Leherte, Laurence; Vercauteren, Daniel P

2017-10-26

We investigate the influence of various solvent models on the structural stability and protein-water interface of three ubiquitin complexes (PDB access codes: 1Q0W , 2MBB , 2G3Q ) modeled using the Amber99sb force field (FF) and two different point charge distributions. A previously developed reduced point charge model (RPCM), wherein each amino acid residue is described by a limited number of point charges, is tested and compared to its all-atom (AA) version. The complexes are solvated in TIP4P-Ew or TIP3P type water molecules, involving either the scaling of the Lennard-Jones protein-O water interaction parameters, or the coarse-grain (CG) SIRAH water description. The best agreements between the RPCM and AA models were obtained for structural, protein-water, and ligand-ubiquitin properties when using the TIP4P-Ew water FF with a scaling factor γ of 0.7. At the RPCM level, a decrease in γ, or the inclusion of SIRAH particles, allows weakening of the protein-water interactions. It results in a slight collapse of the protein structure and a less compact hydration shell and, thus, in a decrease in the number of protein-water and water-water H-bonds. The dynamics of the surface protein atoms and of the water shell molecules are also slightly refrained, which allow the generation of stable RPCM trajectories.

Immediate vs delayed repair bond strength of a nanohybrid resin composite.

PubMed

El-Askary, Farid S; El-Banna, Ahmed H; van Noort, Richard

2012-06-01

To evaluate both the immediate and water-stored repair tensile bond strength (TBS) of a nanohybrid resin composite using different bonding protocols. One hundred sixty half hourglass-shaped slabs were prepared. Eighty half-slabs were wet ground immediately after light curing using high-speed abrasive burs, while the other half-slabs were stored in water for one month (delayed) and then wet ground for repair. Each set of the 80 repaired slabs was split into two groups to be tested for TBS after 24 h or 1 month of water storage. For all repaired slabs, either immediate or delayed, four bonding procedures were used involving wet and dry bonding with a 3-step etch-and-rinse adhesive with or without silane pretreatment. TBS tests were performed at a crosshead speed of 0.5 mm/min. To determine the cohesive strength of the resin composite itself, which served as the reference, additional whole slabs were prepared and tested in tension after a 24-h (n = 10) and a 1-month storage period (n = 10). Failure modes were evaluated using a stereomicroscope at 40X magnification. Three-way ANOVA was run to test the effect of water storage, testing time, bonding protocols, and their interactions on the repair TBS, which was given as a percentage of the reference values. For the immediate repair groups, the repair TBS ranged from 40% to 61.9% after 24-h storage and from 26% to 53.1% after 1-month water storage compared to the TBS of the whole slabs. For the delayed repair group, the repaired TBS ranged from 47.2% to 63.6% for the 24-h repairs and from 32.2% to 44.2% for the test groups stored in water for 1 month. Three-way ANOVA revealed that water storage had no significant effect on the repair TBS (p = 0.619). Both testing time and bonding protocols had a significant effect on the repair TBS (p = 0.001). The interactions between the independent variables (water storage, testing time, and bonding protocols) had no significant effect (p = 0.067). The repair bond strength was consistently and highly significantly less than the cohesive strength of the composite. A delay of 1 month before carrying out the repair had no effect on the bond strength, irrespective of the bonding procedure used. Silane treatment did not improve the repair bond strength. In all instances, except for the immediate wet bonding plus silane procedure and delayed dry bonding, the bond strength of the repairs significantly dropped after 1 month of storage in water.

Protein conformational modifications and kinetics of water-protein interactions in milk protein concentrate powder upon aging: effect on solubility.

PubMed

Haque, Enamul; Bhandari, Bhesh R; Gidley, Michael J; Deeth, Hilton C; Møller, Sandie M; Whittaker, Andrew K

2010-07-14

Protein conformational modifications and water-protein interactions are two major factors believed to induce instability of protein and eventually affect the solubility of milk protein concentrate (MPC) powder. To test these hypotheses, MPC was stored at different water activities (a(w) 0.0-0.85) and temperatures (25 and 45 degrees C) for up to 12 weeks. Samples were examined periodically to determine solubility, change in protein conformation by Fourier transform infrared (FTIR) spectroscopy and principal component analysis (PCA), and water status (interaction of water with the protein molecule/surface) by measuring the transverse relaxation time (T(2)) with proton nuclear magnetic resonance ((1)H NMR). The solubility of MPC decreased significantly with aging, and this process was enhanced by increasing water activity (a(w)) and storage temperature. Minor changes in protein secondary structure were observed with FTIR, which indicated some degree of unfolding of protein molecules. PCA of the FTIR data was able to discriminate samples according to moisture content and storage period. Partial least-squares (PLS) analysis showed some correlation between FTIR spectral feature and solubility. The NMR T(2) results indicated the presence of three distinct populations of water molecules, and the proton signal intensity and T(2) values of proton fractions varied with storage conditions (humidity, temperature) and aging. Results suggest that protein/protein interactions may be initiated by unfolding of protein molecules that eventually affects solubility.

Austin Youth River Watch Program: 1992-93 Final Report. Publication Number 92.33.

ERIC Educational Resources Information Center

Turner, Jeannine

The City of Austin (Texas) provides funds for an educational initiative to involve minority high school students in water quality issues and to reduce the dropout rate through positive role model interaction with academically successful students. Principal program activities were testing river water for pollutants and tutoring at-risk students by…

An experimental test of the fluctuation relation in an active camphor boat system

NASA Astrophysics Data System (ADS)

Paroor, H. M.; Nambiar, N.; Bandi, M. M.

The Gallavotti-Cohen fluctuation relation (FR) posits a specific symmetry between positive and negative fluctuations in entropy production, or a related quantity (e.g power) for systems in non-equilibrium stationary state. Successful tests in a variety of systems suggest the FR may be more generally applicable than the conditions under which it was originally derived. Systems where the FR fails are therefore valuable for the insight they provide into the FR's general success. It has recently been suggested that ``active matter'' should not satisfy the fluctuation-dissipation theorem or FR. We experimentally test this possibility in a system of active camphor boats, self-propelled by surface tension gradients at air-water interfaces. The boats interact via short-range capillary attraction which competes with long-range surface tension mediated repulsion. Tuning interaction strength with number density, we test the FR through the statistics of power as one goes from a free non-interacting camphor boat, through a few weakly interacting boats to several, strongly interacting boats. We present preliminary results of our experiments and data analysis.

Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

DOE PAGES

Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; ...

2014-10-22

Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we showmore » that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B₃N₃H₆) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.« less

Plant Water Stress Affects Interactions Between an Invasive and a Naturalized Aphid Species on Cereal Crops.

PubMed

Foote, N E; Davis, T S; Crowder, D W; Bosque-Pérez, N A; Eigenbrode, S D

2017-06-01

In cereal cropping systems of the Pacific Northwestern United States (PNW), climate change is projected to increase the frequency of drought during summer months, which could increase water stress for crop plants. Yet, it remains uncertain how interactions between herbivore species are affected by drought stress. Here, interactions between two cereal aphids present in PNW cereal systems, Metopolophium festucae (Theobald) subsp. cerealium (a newly invasive species) and Rhopalosiphum padi L. (a naturalized species), were tested relative to wheat water stress. When aphids were confined in leaf cages on wheat, asymmetrical facilitation occurred; per capita fecundity of R. padi was increased by 46% when M. festucae cerealium was also present, compared to when only R. padi was present. Imposed water stress did not influence this interaction. When aphids were confined on whole wheat plants, asymmetrical competition occurred; cocolonization inhibited M. festucae cerealium population growth but did not affect R. padi population growth. Under conditions of plant water stress, however, the inhibitory effect of R. padi on M. festucae cerealium was not observed. We conclude that beneficial effects of cocolonization on R. padi are due to a localized plant response to M. festucae cerealium feeding, and that cocolonization of plants is likely to suppress M. festucae cerealium populations under ample water conditions, but not when plants are water stressed. This suggests that plant responses to water stress alter the outcome of competition between herbivore species, with implications for the structure of pest communities on wheat during periods of drought. © The Authors 2017. Published by Oxford University Press on behalf of Entomological Society of America.

OTEC Cold Water Pipe-Platform Subsystem Dynamic Interaction Validation

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

Varley, Robert; Halkyard, John; Johnson, Peter

A commercial floating 100-megawatt (MW) ocean thermal energy conversion (OTEC) power plant will require a cold water pipe (CWP) with a diameter of 10-meter (m) and length of up to 1,000 m. The mass of the cold water pipe, including entrained water, can exceed the mass of the platform supporting it. The offshore industry uses software-modeling tools to develop platform and riser (pipe) designs to survive the offshore environment. These tools are typically validated by scale model tests in facilities able to replicate real at-sea meteorological and ocean (metocean) conditions to provide the understanding and confidence to proceed to finalmore » design and full-scale fabrication. However, today’s offshore platforms (similar to and usually larger than those needed for OTEC applications) incorporate risers (or pipes) with diameters well under one meter. Secondly, the preferred construction method for large diameter OTEC CWPs is the use of composite materials, primarily a form of fiber-reinforced plastic (FRP). The use of these material results in relatively low pipe stiffness and large strains compared to steel construction. These factors suggest the need for further validation of offshore industry software tools. The purpose of this project was to validate the ability to model numerically the dynamic interaction between a large cold water-filled fiberglass pipe and a floating OTEC platform excited by metocean weather conditions using measurements from a scale model tested in an ocean basin test facility.« less

Effects of heavy metals on sea urchin embryo development. 1. Tracing the cause by the effects.

PubMed

Kobayashi, Naomasa; Okamura, Hideo

2004-06-01

The toxicity of the polluted waters originating from a disused lead mine was evaluated using both sea urchin bioassays and heavy metal analysis. Samples from three polluted waters (a seawater and two freshwaters) were collected from the mine area and one seawater sample was taken from a non-contaminated reference site. The test waters contained higher concentrations of heavy metals such as manganese, lead, cadmium, zinc, chromium, nickel, iron, and copper than did ambient seawater. The three test waters had inhibitory effects, in a dose-dependent manner, on the first cleavage of sea urchin embryos and on pluteus formation during the development. Some malformations, such as a radialized pluteus, exo-gastrula, and spaceship Apollo-like embryos were induced by the test waters without dilution. Zinc alone also induced the same anomaly. Zinc in the test seawater was ascertained as one of the metals that caused the anomalies, but not all of the toxicity was caused by zinc. It was speculated that interactive effects, involving zinc and possibly manganese and nickel, were occurring.

Interactions of anesthetics with the membrane-water interface

NASA Technical Reports Server (NTRS)

Pohorille, A.; Cieplak, P.; Wilson, M. A.

1996-01-01

Although the potency of conventional anesthetics correlates with lipophilicity, an affinity to water also is essential. It was recently found that compounds with very low affinities to water do not produce anesthesia regardless of their lipophilicity. This finding implies that clinical anesthesia might arise because of interactions at molecular sites near the interface of neuronal membranes with the aqueous environment and, therefore, might require increased concentrations of anesthetic molecules at membrane interfaces. As an initial test of this hypothesis, we calculated in molecular dynamics simulations the free energy profiles for the transfer of anesthetic 1,1,2-trifluoroethane and nonanesthetic perfluoroethane across water-membrane and water-hexane interfaces. Consistent with the hypothesis, it was found that trifluoroethane, but not perfluoroethane, exhibits a free energy minimum and, therefore, increased concentrations at both interfaces. The transfer of trifluoroethane from water to the nonpolar hexane or interior of the membrane is accompanied by a considerable, solvent-induced shift in the conformational equilibrium around the C-C bond.

Numerical modeling of water spray suppression of conveyor belt fires in a large-scale tunnel.

PubMed

Yuan, Liming; Smith, Alex C

2015-05-01

Conveyor belt fires in an underground mine pose a serious life threat to miners. Water sprinkler systems are usually used to extinguish underground conveyor belt fires, but because of the complex interaction between conveyor belt fires and mine ventilation airflow, more effective engineering designs are needed for the installation of water sprinkler systems. A computational fluid dynamics (CFD) model was developed to simulate the interaction between the ventilation airflow, the belt flame spread, and the water spray system in a mine entry. The CFD model was calibrated using test results from a large-scale conveyor belt fire suppression experiment. Simulations were conducted using the calibrated CFD model to investigate the effects of sprinkler location, water flow rate, and sprinkler activation temperature on the suppression of conveyor belt fires. The sprinkler location and the activation temperature were found to have a major effect on the suppression of the belt fire, while the water flow rate had a minor effect.

Numerical modeling of water spray suppression of conveyor belt fires in a large-scale tunnel

PubMed Central

Yuan, Liming; Smith, Alex C.

2015-01-01

Conveyor belt fires in an underground mine pose a serious life threat to miners. Water sprinkler systems are usually used to extinguish underground conveyor belt fires, but because of the complex interaction between conveyor belt fires and mine ventilation airflow, more effective engineering designs are needed for the installation of water sprinkler systems. A computational fluid dynamics (CFD) model was developed to simulate the interaction between the ventilation airflow, the belt flame spread, and the water spray system in a mine entry. The CFD model was calibrated using test results from a large-scale conveyor belt fire suppression experiment. Simulations were conducted using the calibrated CFD model to investigate the effects of sprinkler location, water flow rate, and sprinkler activation temperature on the suppression of conveyor belt fires. The sprinkler location and the activation temperature were found to have a major effect on the suppression of the belt fire, while the water flow rate had a minor effect. PMID:26190905

Environment factors influence in vitro interspecific interactions between A. ochraceus and other maize spoilage fungi, growth and ochratoxin production.

PubMed

Lee, H B; Magan, N

1999-01-01

The effect of water availability (water activity, aw; 0.995-0.90) and temperature (18-30 degrees C) on in vitro interactions between an ochratoxin producing strain of Aspergillus ochraceus and six other spoilage fungi was assessed in dual culture experiments on a maize meal-based agar medium. In primary resource capture of nutrient substrate, A. ochraceus was dominant against many of the interacting species, being able to overgrow and replace A. candidus, and sometimes A. flavus and the Eurotium spp. regardless of aw or temperature. However, with freely available water (0.995 aw) A. alternata and A. niger were dominant, with mutual antagonism between A. ochraceus and A. flavus at 25-30 degrees C. In the driest conditions tested (0.90 aw) there was also mutual antagonism between A. ochraceus and the two Eurotium spp. Overall, under all conditions tested the Index of Dominance for A. ochraceus was much higher than for other competing species combined suggesting that A. ochraceus was a good competitive colonist able to replace a number of other species. However, the growth rate of A. ochraceus was modified and decreased by the interaction with competitors. Interaction between A. ochraceus and species such as A. alternata (18 degrees C/0.995) and Eurotium spp. (0.995-0.95 and 25-30 degrees C) resulted in a significant stimulation of ochratoxin production. The results are discussed in relation to the effect that environmental factors have on the possible competitiveness of A. ochraceus in the maize grain ecosystem and the role of ochratoxin in niche exclusion of competitors.

Ecological interactions and the fitness effect of water-use efficiency: Competition and drought alter the impact of natural MPK12 alleles in Arabidopsis.

PubMed

Campitelli, Brandon E; Des Marais, David L; Juenger, Thomas E

2016-04-01

The presence of substantial genetic variation for water-use efficiency (WUE) suggests that natural selection plays a role in maintaining alleles that affect WUE. Soil water deficit can reduce plant survival, and is likely to impose selection to increase WUE, whereas competition for resources may select for decreased WUE to ensure water acquisition. We tested the fitness consequences of natural allelic variation in a single gene (MPK12) that influences WUE in Arabidopsis, using transgenic lines contrasting in MPK12 alleles, under four treatments; drought/competition, drought/no competition, well-watered/competition, well-watered/no competition. Results revealed an allele × environment interaction: Low WUE plants performed better in competition, resulting from increased resource consumption. Contrastingly, high WUE individuals performed better in no competition, irrespective of water availability, presumably from enhanced water conservation and nitrogen acquisition. Our findings suggest that selection can influence MPK12 evolution, and represents the first assessment of plant fitness resulting from natural allelic variation at a single locus affecting WUE. © 2016 John Wiley & Sons Ltd/CNRS.

Multiple component end-member mixing model of dilution: hydrochemical effects of construction water at Yucca Mountain, Nevada, USA

NASA Astrophysics Data System (ADS)

Lu, Guoping; Sonnenthal, Eric L.; Bodvarsson, Gudmundur S.

2008-12-01

The standard dual-component and two-member linear mixing model is often used to quantify water mixing of different sources. However, it is no longer applicable whenever actual mixture concentrations are not exactly known because of dilution. For example, low-water-content (low-porosity) rock samples are leached for pore-water chemical compositions, which therefore are diluted in the leachates. A multicomponent, two-member mixing model of dilution has been developed to quantify mixing of water sources and multiple chemical components experiencing dilution in leaching. This extended mixing model was used to quantify fracture-matrix interaction in construction-water migration tests along the Exploratory Studies Facility (ESF) tunnel at Yucca Mountain, Nevada, USA. The model effectively recovers the spatial distribution of water and chemical compositions released from the construction water, and provides invaluable data on the matrix fracture interaction. The methodology and formulations described here are applicable to many sorts of mixing-dilution problems, including dilution in petroleum reservoirs, hydrospheres, chemical constituents in rocks and minerals, monitoring of drilling fluids, and leaching, as well as to environmental science studies.

Chronic caffeine produces sexually dimorphic effects on amphetamine-induced behavior, anxiety and depressive-like behavior in adolescent rats.

PubMed

Turgeon, Sarah M; Townsend, Shannon E; Dixon, Rushell S; Hickman, Emma T; Lee, Sabrina M

2016-04-01

Caffeine consumption has been increasing rapidly in adolescents; however, most research on the behavioral effects of caffeine has been conducted in adults. Two experiments were conducted in which adolescent male and female rats were treated with a moderate dose of caffeine (0.25 g/l) in their drinking water beginning on P26-28. In the first experiment, animals were maintained on caffeinated drinking water or normal tap water for 14 days and were then tested for behavioral and striatal c-Fos response to amphetamine (1.5 mg/kg). In the second experiment, rats were maintained on caffeinated drinking water or normal tap water beginning on P28 and were tested for novel object recognition, anxiety in the light/dark test (L/D) and elevated plus maze (EPM), and depressive like behavior in the forced swim test (FST) beginning on the 14th day of caffeine exposure. Caffeine decreased amphetamine-induced rearing in males, but had no effect in females; however, this behavioral effect was not accompanied by changes in striatal c-Fos, which was increased by amphetamine but not altered by caffeine. No effects of caffeine were observed on novel object recognition or elevated plus maze behavior. However, in the L/D test, there was a sex by caffeine interaction on time spent in the light driven by a caffeine-induced increase in light time in the males but not the females. On the pretest day of the FST, sex by caffeine interactions were observed for swimming and struggling; caffeine decreased struggling behavior and increased swimming behavior in males and caffeine-treated females demonstrated significantly more struggling and significantly less swimming than caffeine-treated males. A similar pattern was observed on the test day in which caffeine decreased immobility overall and increased swimming. These data reveal sex dependent effects of caffeine on behavior in adolescent rats. Copyright © 2016 Elsevier Inc. All rights reserved.

Adenovirus, MS2 and PhiX174 interactions with drinking water biofilms developed on PVC, cement and cast iron.

PubMed

Helmi, K; Menard-Szczebara, F; Lénès, D; Jacob, P; Jossent, J; Barbot, C; Delabre, K; Arnal, C

2010-01-01

Biofilms colonizing pipe surfaces of drinking water distribution systems could provide habitat and shelter for pathogenic viruses present in the water phase. This study aims (i) to develop a method to detect viral particles present in a drinking water biofilm and (ii) to study viral interactions with drinking water biofilms. A pilot scale system was used to develop drinking water biofilms on 3 materials (7 cm(2) discs): PVC, cast iron and cement. Biofilms were inoculated with viral model including MS2, PhiX174 or adenovirus. Five techniques were tested to recover virus from biofilms. The most efficient uses beef extract and glycine at pH = 9. After sonication and centrifugation, the pH of the supernatant is neutralized prior to viral analysis. The calculated recovery rates varied from 29.3 to 74.6% depending on the virus (MS2 or PhiX174) and the material. Applying this protocol, the interactions of virus models (MS2 and adenovirus) with drinking water biofilms were compared. Our results show that adsorption of viruses to biofilms depends on their isoelectric points, the disc material and the hydrodynamic conditions. Applying hydrodynamic conditions similar to those existing in drinking water networks resulted in a viral adsorption corresponding to less than 1% of the initial viral load.

Infections may select for filial cannibalism by impacting egg survival in interactions with water salinity and egg density.

PubMed

Lehtonen, Topi K; Kvarnemo, Charlotta

2015-07-01

In aquatic environments, externally developing eggs are in constant contact with the surrounding water, highlighting the significance of water parameters and pathogens for egg survival. In this study we tested the impact of water salinity, egg density and infection potential of the environment on egg viability in the sand goby (Pomatoschistus minutus), a small fish that exhibits paternal egg care and has a marine origin, but which in the Baltic Sea lives in brackish water. To manipulate the infection potential of the environment, we added either a Saprolegnia infection vector into UV-filtered water or a fungicide into natural Baltic Sea water. Saprolegnia are widely spread water moulds that are a key cause of egg mortality in aquatic organisms in fresh- and brackish water. We found that increased water salinity indeed decreased the egg infection rate and had a positive effect on egg viability, while high egg density tended to have the opposite effect. However, the different factors influenced egg viability interactively, with a higher egg density having negative effects at low, but not in high, salinity. Thus, the challenges facing marine organisms adapting to lower salinity levels can be amplified by Saprolegnia infections that reduce egg survival in interaction with other environmental factors. Our results support the hypothesis that suppressing egg infections is an important aspect of parental care that can select for filial cannibalism, a common but poorly understood behaviour, especially in fish with parental care.

Effect of water vapor on fatigue crack growth in 7475-T651 aluminum alloy plate. [for aerospace applications

NASA Technical Reports Server (NTRS)

Dicus, D. L.

1984-01-01

The effects of water vapor on fatigue crack growth in 7475-T651 aluminum alloy plate at frequencies of 1 Hz and 10 Hz were investigated. Twenty-five mm thick compact specimens were subjected to constant amplitude fatigue testing at a load ratio of 0.2. Fatigue crack growth rates were calculated from effective crack lengths determined using a compliance method. Tests were conducted in hard vacuum and at water vapor partial pressures ranging from 94 Pa to 3.8 kPa. Fatigue crack growth rates were frequency insensitive under all environment conditions tested. For constant stress intensity factor ranges crack growth rate transitions occurred at low and high water vapor pressures. Crack growth rates at intermediate pressures were relatively constant and showed reasonable agreement with published data for two Al-Cu-Mg alloys. The existence of two crack growth rate transitions suggests either a change in rate controlling kinetics or a change in corrosion fatigue mechanism as a function of water vapor pressure. Reduced residual deformation and transverse cracking specimens tested in water vapor versus vacuum may be evidence of embrittlement within the plastic zone due to environmental interaction.

The effect of water vapor on fatigue crack Growth in 7475-t651 aluminum alloy plate. [for aerospace applications

NASA Technical Reports Server (NTRS)

Dicus, D. L.

1982-01-01

The effects of water vapor on fatigue crack growth in 7475-T651 aluminum alloy plate at frequencies of 1 Hz and 10 Hz were investigated. Twenty-five mm thick compact specimens were subjected to constant amplitude fatigue testing at a load ratio of 0.2. Fatigue crack growth rates were calculated from effective crack lengths determined using a compliance method. Tests were conducted in hard vacuum and at water vapor partial pressures ranging from 94 Pa to 3.8 kPa. Fatigue crack growth rates were frequency insensitive under all environment conditions tested. For constant stress intensity factor ranges crack growth rate transitions occurred at low and high water vapor pressures. Crack growth rates at intermediate pressures were relatively constant and showed reasonable agreement with published data for two Al-Cu-Mg alloys. The existence of two crack growth rate transitions suggests either a change in rate controlling kinetics or a change in corrosion fatigue mechanism as a function of water vapor pressure. Reduced residual deformation and transverse cracking specimens tested in water vapor versus vacuum may be evidence of embrittlement within the plastic zone due to environmental interaction.

Resilience and vulnerability of permafrost to climate change

Treesearch

M.Torre Jorgenson; Vladimir Romanovsky; Jennifer Harden; Yuri Shur; Jonathan O' Donnell; Edward A.G. Schuur; Mikhail Kanevskiy; Sergei. Marchenko

2010-01-01

The resilience and vulnerability of permafrost to climate change depends on complex interactions among topography, water, soil, vegetation, and snow, which allow permafrost to persist at mean annual air temperatures (MAATs) as high as +2 °C and degrade at MAATs as low as -20°C. To assess these interactions, we compiled existing data and tested effects of varying...

High-Frequency Sound Interaction with Ocean Sediments and with Objects in the Vicinity of the Water/Sediment Interface and Mid-Frequency Shallow Water Propagation and Scattering

DTIC Science & Technology

2007-09-30

combined with measured sediment properties, to test the validity of sediment acoustic models , and in particular the poroelastic (Biot) model . Addressing...TERM GOALS 1. Development of accurate models for acoustic scattering from, penetration into, and propagation within shallow water ocean sediments...2. Development of reliable methods for modeling acoustic detection of buried objects at subcritical grazing angles. 3. Improving our

Some difficulties and inconsistencies when using habit strength and reasoned action variables in models of metered household water conservation.

PubMed

Jorgensen, Bradley S; Martin, John F; Pearce, Meryl; Willis, Eileen

2013-01-30

Research employing household water consumption data has sought to test models of water demand and conservation using variables from attitude theory. A significant, albeit unrecognised, challenge has been that attitude models describe individual-level motivations while consumption data is recorded at the household level thereby creating inconsistency between units of theory and measurement. This study employs structural equation modelling and moderated regression techniques to addresses the level of analysis problem, and tests hypotheses by isolating effects on water conservation in single-person households. Furthermore, the results question the explanatory utility of habit strength, perceived behavioural control, and intentions for understanding metered water conservation in single-person households. For example, evidence that intentions predict water conservation or that they interact with habit strength in single-person households was contrary to theoretical expectations. On the other hand, habit strength, self-reports of past water conservation, and perceived behavioural control were good predictors of intentions to conserve water. Copyright © 2012 Elsevier Ltd. All rights reserved.

The influence of self-assembling supramolecular structures on the passive membrane transport of ion-paired molecules.

PubMed

Benaouda, F; Brown, M B; Shah, B; Martin, G P; Jones, S A

2012-12-15

Weak ion-ion interactions, such as those associated with ion-pair formation, are difficult to isolate and characterise in the liquid state, but they have the potential to alter significantly the physicochemical behaviour of molecules in solution. The aim of this work was to gain a better understanding of how ion-ion interactions influenced passive membrane transport. The test system was composed of propylene (PG) glycol, water and diclofenac diethylamine (DDEA). Infrared spectroscopy was employed to determine the nature of the DDEA ion-pair interactions and the drug-vehicle association. Passive transport was assessed using homogeneous synthetic membranes. Solution-state analysis demonstrated that the ion-pair was unperturbed by vehicle composition changes, but the solvent-DDEA interactions were modified. DDEA-PG/water hydrogen bonding influenced the ion-pair solubility (X(dev)) and the solvent interactions slowed transport rate in PG-rich vehicles (0.84±0.05 μg cm(-2) h(-1), at ln(X(dev))=0.57). In water-rich co-solvents, the presence of strong water structuring facilitated a significant increase (p<0.05) in transmembrane penetration rate (e.g. 4.33±0.92 μg cm(-2) h(-1), at ln(X(dev))=-0.13). The data demonstrates that weak ion-ion interactions can result in the embedding of polar entities within a stable solvent complex and spontaneous supramolecular assembly should be considered when interpreting transmembrane transport processes of ionic molecules. Copyright © 2012 Elsevier B.V. All rights reserved.

Characterization of LWRS Hybrid SiC-CMC-Zircaloy-4 Fuel Cladding after Gamma Irradiation

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

Isabella J van Rooyen

2012-09-01

The purpose of the gamma irradiation tests conducted at the Idaho National Laboratory (INL) was to obtain a better understanding of chemical interactions and potential changes in microstructural properties of a mock-up hybrid nuclear fuel cladding rodlet design (unfueled) in a simulated PWR water environment under irradiation conditions. The hybrid fuel rodlet design is being investigated under the Light Water Reactor Sustainability (LWRS) program for further development and testing of one of the possible advanced LWR nuclear fuel cladding designs. The gamma irradiation tests were performed in preparation for neutron irradiation tests planned for a silicon carbide (SiC) ceramic matrixmore » composite (CMC) zircaloy-4 (Zr-4) hybrid fuel rodlet that may be tested in the INL Advanced Test Reactor (ATR) if the design is selected for further development and testing« less

Potential interactions among disease, pesticides, water quality and adjacent land cover in amphibian habitats in the United States.

PubMed

Battaglin, W A; Smalling, K L; Anderson, C; Calhoun, D; Chestnut, T; Muths, E

2016-10-01

To investigate interactions among disease, pesticides, water quality, and adjacent land cover, we collected samples of water, sediment, and frog tissue from 21 sites in 7 States in the United States (US) representing a variety of amphibian habitats. All samples were analyzed for >90 pesticides and pesticide degradates, and water and frogs were screened for the amphibian chytrid fungus Batrachochytrium dendrobatidis (Bd) using molecular methods. Pesticides and pesticide degradates were detected frequently in frog breeding habitats (water and sediment) as well as in frog tissue. Fungicides occurred more frequently in water, sediment, and tissue than was expected based upon their limited use relative to herbicides or insecticides. Pesticide occurrence in water or sediment was not a strong predictor of occurrence in tissue, but pesticide concentrations in tissue were correlated positively to agricultural and urban land, and negatively to forested land in 2-km buffers around the sites. Bd was detected in water at 45% of sites, and on 34% of swabbed frogs. Bd detections in water were not associated with differences in land use around sites, but sites with detections had colder water. Frogs that tested positive for Bd were associated with sites that had higher total fungicide concentrations in water and sediment, but lower insecticide concentrations in sediments relative to frogs that were Bd negative. Bd concentrations on frog swabs were positively correlated to dissolved organic carbon, and total nitrogen and phosphorus, and negatively correlated to pH and water temperature. Data were collected from a range of locations and amphibian habitats and represent some of the first field-collected information aimed at understanding the interactions between pesticides, land use, and amphibian disease. These interactions are of particular interest to conservation efforts as many amphibians live in altered habitats and may depend on wetlands embedded in these landscapes to survive. Published by Elsevier B.V.

Potential interactions among disease, pesticides, water quality and adjacent land cover in amphibian habitats in the United States

USGS Publications Warehouse

Battaglin, William A.; Smalling, Kelly L.; Anderson, Chauncey; Calhoun, Daniel L.; Chestnut, Tara E.; Muths, Erin L.

2016-01-01

To investigate interactions among disease, pesticides, water quality, and adjacent land cover, we collected samples of water, sediment, and frog tissue from 21 sites in 7 States in the United States (US) representing a variety of amphibian habitats. All samples were analyzed for > 90 pesticides and pesticide degradates, and water and frogs were screened for the amphibian chytrid fungus Batrachochytrium dendrobatidis (Bd) using molecular methods. Pesticides and pesticide degradates were detected frequently in frog breeding habitats (water and sediment) as well as in frog tissue. Fungicides occurred more frequently in water, sediment, and tissue than was expected based upon their limited use relative to herbicides or insecticides. Pesticide occurrence in water or sediment was not a strong predictor of occurrence in tissue, but pesticide concentrations in tissue were correlated positively to agricultural and urban land, and negatively to forested land in 2-km buffers around the sites. Bd was detected in water at 45% of sites, and on 34% of swabbed frogs. Bd detections in water were not associated with differences in land use around sites, but sites with detections had colder water. Frogs that tested positive for Bd were associated with sites that had higher total fungicide concentrations in water and sediment, but lower insecticide concentrations in sediments relative to frogs that were Bd negative. Bd concentrations on frog swabs were positively correlated to dissolved organic carbon, and total nitrogen and phosphorus, and negatively correlated to pH and water temperature.Data were collected from a range of locations and amphibian habitats and represent some of the first field-collected information aimed at understanding the interactions between pesticides, land use, and amphibian disease. These interactions are of particular interest to conservation efforts as many amphibians live in altered habitats and may depend on wetlands embedded in these landscapes to survive.

Water Impact Test and Simulation of a Composite Energy Absorbing Fuselage Section

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.; Sparks, Chad; Sareen, Ashish

2003-01-01

In March 2002, a 25-ft/s vertical drop test of a composite fuselage section was conducted onto water. The purpose of the test was to obtain experimental data characterizing the structural response of the fuselage section during water impact for comparison with two previous drop tests that were performed onto a rigid surface and soft soil. For the drop test, the fuselage section was configured with ten 100-lb. lead masses, five per side, that were attached to seat rails mounted to the floor. The fuselage section was raised to a height of 10-ft. and dropped vertically into a 15-ft. diameter pool filled to a depth of 3.5-ft. with water. Approximately 70 channels of data were collected during the drop test at a 10-kHz sampling rate. The test data were used to validate crash simulations of the water impact that were developed using the nonlinear, explicit transient dynamic codes, MSC.Dytran and LS-DYNA. The fuselage structure was modeled using shell and solid elements with a Lagrangian mesh, and the water was modeled with both Eulerian and Lagrangian techniques. The fluid-structure interactions were executed using the fast general coupling in MSC.Dytran and the Arbitrary Lagrange-Euler (ALE) coupling in LS-DYNA. Additionally, the smooth particle hydrodynamics (SPH) meshless Lagrangian technique was used in LS-DYNA to represent the fluid. The simulation results were correlated with the test data to validate the modeling approach. Additional simulation studies were performed to determine how changes in mesh density, mesh uniformity, fluid viscosity, and failure strain influence the test-analysis correlation.

A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.

PubMed

Yang, Zhong-Zhi; Qian, Ping

2006-08-14

N-methylacetamide (NMA) is a very interesting compound and often serves as a model of the peptide bond. The interaction between NMA and water provides a convenient prototype for the solvation of the peptides in aqueous solutions. Here we present NMA-water potential model based on atom-bond electronegativity equalization method fused into molecular mechanics (ABEEM/MM) that is to take ABEEM charges of all atoms, bonds, and lone-pair electrons of NMA and water molecules into the electrostatic interaction term in molecular mechanics. The model has the following characters: (1)it allows the charges in system to fluctuate responding to the ambient environment; (2) for two major types of intermolecular hydrogen bonds, which are the hydrogen bond forming between the lone-pair electron on amide oxygen and the water hydrogen, and the one forming between the lone-pair electron on water oxygen and the amide hydrogen, we take special treatments in describing the electrostatic interaction by the use of the parameters k(lpO=, H) and k(lpO(-), HN(-)), respectively. The newly constructed potential model based on ABEEM/MM is first applied to amide-water clusters and reproduces gas-phase state properties of NMA(H(2)O)(n) (n=1-3) including optimal structures, dipole moments, ABEEM charge distributions, energy difference of the isolated trans- and cis-NMA, interaction energies, hydrogen bonding cooperative effects, and so on, whose results show the good agreement with those measured by available experiments and calculated by ab initio methods. In order to further test the reasonableness of this model and the correctness and transferability of the parameters, many static properties of the larger NMA-water complexes NMA(H(2)O)(n) (n=4-6) are also studied including optimal structures and interaction energies. The results also show fair consistency with those of our quantum chemistry calculations.

The Water-Mist Fire Suppression Experiment (Mist): Preliminary Results From The STS-107 Mission

NASA Technical Reports Server (NTRS)

Abbud-Madrid, Angel; McKinnon, J. Thomas; Amon, Francine; Gokoglu, Suleyman

2003-01-01

An investigation of the effect of water mists on premixed flame propagation has been conducted onboard the Space Shuttle to take advantage of the prolonged microgravity environment to study the effect of uniformly distributed clouds of polydisperse water mists on the speed and shape of propagating propane-air premixed flames. The suspension of a quiescent and uniform water mist cloud was confirmed during the microgravity tests. Preliminary results show good agreement with trends obtained by the numerical predictions of a computational model that uses a hybrid Eulerian-Lagrangian formulation to simulate the two-phase, flame/mist interaction. Effective flame suppression is observed at progressively higher water loadings and smaller water droplet sizes. Other unusual flame behavior, such as flame front breakup and pulsating flames, is still under investigation. The promising results from the microgravity tests will be used to assess the feasibility of using water mists as fire suppressants on Earth and on spacecraft.

Subcritical fracturing of shales under chemically reactive conditions

NASA Astrophysics Data System (ADS)

Chen, X.; Callahan, O. A.; Eichhubl, P.; Olson, J. E.

2016-12-01

Growth of opening-mode fractures under chemically reactive subsurface conditions is potentially relevant for seal integrity in subsurface CO2 storage and hazardous waste disposal. Using double-torsion load relaxation tests we determine mode-I fracture toughness (KIC), subcritical index (SCI), and the stress-intensity factor vs fracture velocity (K-V) behavior of Marcellus, Woodford, and Mancos shales. Samples are tested under ambient air and aqueous conditions with variable NaCl and KCl concentrations, variable pH, and temperatures of up to 70. Under ambient air condition, KIC determined from double torsion tests is 1.3, 0.6, and 1.1 MPam1/2 for Marcellus, Woodford, and Mancos shales, respectively. SCI under ambient air condition is between 55 and 90 for the shales tested. Tests in aqueous solutions show a significant drop of KIC compared to ambient air condition. For tests in deionized water, KIC reduction is 18.5% for Marcellus and 47.0% for Woodford. The presence of aqueous fluids also results in a reduction of the SCI up to 85% compared to ambient condition. K-V curves generally obey a power-law relation throughout the load-relaxation period. However, aqueous-based tests on samples result in K-V curves deviating from the power-law relation, with the SCI values gradually decreasing with time during the relaxation period. This non-power-law behavior is obvious in Woodford and Mancos, but negligible in Marcellus. We find that the shales interact with the aqueous solution both at the fracture tip and within the rock matrix during subcritical fracturing. For Marcellus shale, water mainly interacts with the fracture tip on both tests due to low matrix permeability and less reactive mineral composition. However, Woodford and Mancos react strongly with water causing significant sample degradation. The competition between degradation and fracture growth results in the time-dependent SCI: at lower fracture velocities, the tip interacts longer with the chemically altered area around the tip; at higher fracture velocities, the fracture propagates through the altered area before significant degradation. Our results display strong weakening effects of chemically reactive fluids on subcritical fracture properties with implications on subsurface storage seal performance.

Retention characteristics of a new butylimidazolium-based stationary phase. Part II: anion exchange and partitioning.

PubMed

Van Meter, David S; Sun, Yaqin; Parker, Kevin M; Stalcup, Apryll M

2008-02-01

A surface-confined ionic liquid (SCIL) and a commercial quaternary amine silica-based stationary phase were characterized employing the linear solvation energy relationship (LSER) method in binary methanol/water mobile phases. The retention properties of the stationary phases were evaluated in terms of intermolecular interactions between 28 test solutes and the stationary phases. The comparison reveals a difference in the hydrophobic and hydrogen bond acceptance interaction properties between the two phases. The anion exchange retention mechanism of the SCIL phase was demonstrated using nucleotides. The utility of the SCIL phase in predicting logk (IL/water) values by chromatographic methods is also discussed.

Family variation in photosynthesis of 22-year-old black spruce: a test of two models of physiological response to water stress

Treesearch

John E. Major; Kurt H. Johnsen

1996-01-01

Gas exchange and water potential were measured in 22-year-old black spruce (Piceamariana (Mill.) BSP) trees from four full-sib families on two sites (one drier and one wetter) at the Petawawa National Forestry Institute, Ontario. Based on an observed genotype × environment interaction and earlier work with seedlings, a...

Water velocity influences prey detection and capture by drift-feeding juvenile coho salmon (Oncorhynchus kisutch) and steelhead (Oncorhynchus mykiss irideus)

Treesearch

John J. Piccolo; Nicholas F. Hughes; Mason D. Bryant

2008-01-01

We examined the effects of water velocity on prey detection and capture by drift-feeding juvenile coho salmon (Oncorhynchus kisutch) and steelhead (sea-run rainbow trout,Oncorhynchus mykiss irideus) in laboratory experiments. We used repeated-measures analysis of variance to test the effects of velocity, species, and the velocity x species interaction on prey capture...

Virus removal efficiency of Cambodian ceramic pot water purifiers.

PubMed

Salsali, Hamidreza; McBean, Edward; Brunsting, Joseph

2011-06-01

Virus removal efficiency is described for three types of silver-impregnated, ceramic water filters (CWFs) produced in Cambodia. The tests were completed using freshly scrubbed filters and de-ionized (DI) water as an evaluation of the removal efficiency of the virus in isolation with no other interacting water quality variables. Removal efficiencies between 0.21 and 0.45 log are evidenced, which is significantly lower than results obtained in testing of similar filters by other investigators utilizing surface or rain water and a less frequent cleaning regime. Other experiments generally found virus removal efficiencies greater than 1.0 log. This difference may be because of the association of viruses with suspended solids, and subsequent removal of these solids during filtration. Variability in virus removal efficiencies between pots of the same manufacturer, and observed flow rates outside the manufacturer's specifications, suggest tighter quality control and consistency may be needed during production.

Cardiorespiratory performance of coronary artery disease patients on land versus underwater treadmill tests: a comparative study.

PubMed

Garcia, Mauricio Koprowski; Rizzo, Limanara; Yazbek-Júnior, Paulo; Yutiyama, Daniela; Silva, Fabiola Jomar da; Matheus, Denise; Mastrocolla, Luiz Eduardo; Massad, Eduardo

2017-11-01

To compare responses to a cardiopulmonary exercise test on land versus on an underwater treadmill, to assess the cardiorespiratory performance of coronary artery disease patients while immersed in warm water and to compare with the performance of healthy individuals. The sample population consisted of 40 subjects, which included 20 coronary artery disease patients aged 63.7±8.89 years old, functional class I and II, according to the New York Hearth Association, and 20 healthy subjects aged 64.7±7.09 years old. The statistical significances were calculated through an ANOVA test with a (1 - β) power of 0.861. ClinicalTrials.gov: NCT00989248 (22). Significant differences were uncovered in coronary artery disease group regarding the variables heart beats (HB), (p>0.01), oxygen consumption (VO2), (p>0.01) and carbon dioxide production (VCO2) (p<0.01). Also, for the same group, in relation to the environment, water versus on land for HB, VO2, VCO2 and oxygen for each heart beat (VO2/HB) all of than (p<0.01). The stages for data collected featured the subject's performance throughout the experiment, and within the given context, variables rating of perceived exertion (RPE), HB, VO2, VCO2 and VO2/HB (p<0.01) showed significant interactions between test stages and environment. Additionally, there was a significant interaction between the etiology and the test stages for the variables HB, VO2 and VCO2 (p<0.01). Electrocardiographic changes compatible with myocardial ischemia or arrhythmia were not observed. The subjects exhibited lower scores on Borg's perceived exertion scale in the water than at every one of the test stages on land (p<0.01). This study show that a cardiopulmonary exercise test can be safely conducted in subjects in immersion and that the procedures, resources and equipment used yielded replicable and reliable data. Significant differences observed in water versus on land allow us to conclude that coronary artery disease patients are able to do physical exercise in water and that the physiological effects of immersion do not present any risk for such patients, as exercise was well tolerated by all subjects.

Cloud Radiation Forcings and Feedbacks: General Circulation Model Tests and Observational Validation

NASA Technical Reports Server (NTRS)

Lee,Wan-Ho; Iacobellis, Sam F.; Somerville, Richard C. J.

1997-01-01

Using an atmospheric general circulation model (the National Center for Atmospheric Research Community Climate Model: CCM2), the effects on climate sensitivity of several different cloud radiation parameterizations have been investigated. In addition to the original cloud radiation scheme of CCM2, four parameterizations incorporating prognostic cloud water were tested: one version with prescribed cloud radiative properties and three other versions with interactive cloud radiative properties. The authors' numerical experiments employ perpetual July integrations driven by globally constant sea surface temperature forcings of two degrees, both positive and negative. A diagnostic radiation calculation has been applied to investigate the partial contributions of high, middle, and low cloud to the total cloud radiative forcing, as well as the contributions of water vapor, temperature, and cloud to the net climate feedback. The high cloud net radiative forcing is positive, and the middle and low cloud net radiative forcings are negative. The total net cloud forcing is negative in all of the model versions. The effect of interactive cloud radiative properties on global climate sensitivity is significant. The net cloud radiative feedbacks consist of quite different shortwave and longwave components between the schemes with interactive cloud radiative properties and the schemes with specified properties. The increase in cloud water content in the warmer climate leads to optically thicker middle- and low-level clouds and in turn to negative shortwave feedbacks for the interactive radiative schemes, while the decrease in cloud amount simply produces a positive shortwave feedback for the schemes with a specified cloud water path. For the longwave feedbacks, the decrease in high effective cloudiness for the schemes without interactive radiative properties leads to a negative feedback, while for the other cases, the longwave feedback is positive. These cloud radiation parameterizations are empirically validated by using a single-column diagnostic model. together with measurements from the Atmospheric Radiation Measurement program and from the Tropical Ocean Global Atmosphere Combined Ocean-Atmosphere Response Experiment. The inclusion of prognostic cloud water produces a notable improvement in the realism of the parameterizations, as judged by these observations. Furthermore, the observational evidence suggests that deriving cloud radiative properties from cloud water content and microphysical characteristics is a promising route to further improvement.

Survival of Escherichia coli and Salmonella spp. in estuarine environments.

PubMed Central

Rhodes, M W; Kator, H

1988-01-01

Survival of Escherichia coli and Salmonella spp. in estuarine waters was compared over a variety of seasonal temperatures during in situ exposure in diffusion chambers. Sublethal stress was measured by both selective-versus-resuscitative enumeration procedures and an electrochemical detection method. E. coli and Salmonella spp. test suspensions, prepared to minimize sublethal injury, were exposed in a shallow tidal creek and at a site 7.1 km further downriver. Bacterial die-off and sublethal stress in filtered estuarine water were inversely related to water temperature. Salmonella spp. populations exhibited significantly less die-off and stress than did E. coli at water temperatures of less than 10 degrees C. Although the most pronounced reductions (ca. 3 log units) in test bacteria occurred during seasonally warm temperatures in the presence of the autochthonous microbiota, 10(2) to 10(4) test cells per ml remained after 2 weeks of exposure to temperatures of greater than 15 degrees C. Reductions in test bacteria were associated with increases in the densities of microflagellates and plaque-forming microorganisms. These studies demonstrated the survival potential of enteric bacteria in estuarine waters and showed that survival was a function of interacting biological and physical factors. PMID:3066291

Fracture toughness, tensile and stress corrosion cracking properties of Alloy 600, Alloy 690 and their welds in water

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

Brown, C.M.; Mills, W.J.

1996-10-01

The fracture toughness and tensile properties of Alloy 600, Alloy 690 and their welds, EN82H and EN52, were characterized in 54 and 338 C water with an elevated hydrogen content. Results were compared with air data to evaluate the effect of low and high temperature water on mechanical properties. In addition, the stress corrosion cracking (SCC) behavior of EN82H and EN52 welds was evaluated in 360 C water with high hydrogen. Elastic-plastic J{sub c} fracture toughness testing revealed that the fracture resistance of all test materials was exceptionally high in 54 and 338 C air and 338 C water, demonstratingmore » that fracture properties were essentially unaffected by the high temperature water environment. In 54 C water, however, J{sub c} values for EN82H and EN52 welds were reduced by an order of magnitude, and Alloy 690 showed a five-fold decrease in J{sub c}. Tensile properties for all test materials were essentially unaffected by the water environment, except for the total elongation for EN82H welds which was significantly reduced in 54 C water. At a strain rate of 5 x 10{sup 6} sec{sup {minus}1} in low temperature water, there appears to be sufficient time for environmental interactions to restrict ductility in EN82H welds. Constant-load testing of precracked weld specimens in 360 C water resulted in extensive intergranular SCC in EN82H welds loaded to K{sub I} levels between 35 and 55 MPa {radical}m, whereas no SCC occurred in EN52 welds under comparable test conditions.« less

Roles of Fog and Topography in Redwood Forest Hydrology

NASA Astrophysics Data System (ADS)

Francis, E. J.; Asner, G. P.

2017-12-01

Spatial variability of water in forests is a function of both climatic gradients that control water inputs and topo-edaphic variation that determines the flows of water belowground, as well as interactions of climate with topography. Coastal redwood forests are hydrologically unique because they are influenced by coastal low clouds, or fog, that is advected onto land by a strong coastal-to-inland temperature difference. Where fog intersects the land surface, annual water inputs from summer fog drip can be greater than that of winter rainfall. In this study, we take advantage of mapped spatial gradients in forest canopy water storage, topography, and fog cover in California to better understand the roles and interactions of fog and topography in the hydrology of redwood forests. We test a conceptual model of redwood forest hydrology with measurements of canopy water content derived from high-resolution airborne imaging spectroscopy, topographic variables derived from high-resolution LiDAR data, and fog cover maps derived from NASA MODIS data. Landscape-level results provide insight into hydrological processes within redwood forests, and cross-site analyses shed light on their generality.

Using complexity science and negotiation theory to resolve boundary-crossing water issues

NASA Astrophysics Data System (ADS)

Islam, Shafiqul; Susskind, Lawrence

2018-07-01

Many water governance and management issues are complex. The complexity of these issues is related to crossing of multiple boundaries: political, social and jurisdictional, as well as physical, ecological and biogeochemical. Resolution of these issues usually requires interactions of many parties with conflicting values and interests operating across multiple boundaries and scales to make decisions. The interdependence and feedback among interacting variables, processes, actors and institutions are hard to model and difficult to forecast. Thus, decision-making related to complex water problems needs be contingent and adaptive. This paper draws on a number of ideas from complexity science and negotiation theory that may make it easier to cope with the complexities and difficulties of managing boundary crossing water disputes. It begins with the Water Diplomacy Framework that was developed and tested over the past several years. Then, it uses three key ideas from complexity science (interdependence and interconnectedness; uncertainty and feedback; emergence and adaptation) and three from negotiation theory (stakeholder identification and engagement; joint fact finding; and value creation through option generation) to show how application of these ideas can help enhance effectiveness of water management.

The hydrodynamics of plant spacing distance: Optimizing consumptive and non-consumptive water use in water-limited environments

NASA Astrophysics Data System (ADS)

Trautz, A.; Illangasekare, T. H.; Rodriguez-Iturbe, I.; Howington, S. E.

2017-12-01

The availability of soil moisture in water-stressed environments is one of the primary factors controlling plant performance and overall plant community productivity and structure. The minimization of non-consumptive water loss, or water not utilized by plants (i.e. consumptive use), to bare soil evaporation is a key plant survival strategy and important agricultural consideration. Competitive (negative) and facilitative (positive) interactions between individual plants play a pivotal role in controlling the local coupled soil-plant-atmosphere hydrodynamics that affect both consumptive and non-consumptive water use. The strength of these two types of interactions vary with spacing distance between individuals. In a recent PNAS publication, we hypothesized that there exists a quantifiable spacing distance between plants that optimizes the balance between competition and facilitation, and hence maximizes water conservation. This study expands upon on our previous work, for which only a subset of the data generated was used, through the development and testing of a numerical model that can test a conceptual model we presented. The model simulates soil-plant-atmosphere continuum heat and mass transfer hydrodynamics, taking into account the complex feedbacks that exist between the near-surface atmosphere, subsurface, and plants. This model has been developed to explore the combined effects of subsurface competition and micro-climatic amelioration (i.e., facilitation) on local soil moisture redistribution and fluxes in the context of water-stressed environments that experienced sustained winds. We believe the results have the potential to provide new insights into climatological, ecohydrological, and hydrological problems pertaining to: the extensively used and much debated stress-gradient hypothesis, plant community population self-organization, agricultural best practices (e.g., water management), and spatial heterogeneity of land-atmosphere fluxes.

Characterization of the interaction between AFM tips and surface nanobubbles.

PubMed

Walczyk, Wiktoria; Schönherr, Holger

2014-06-24

While the presence of gaseous enclosures observed at various solid-water interfaces, the so-called "surface nanobubles", has been confirmed by many groups in recent years, their formation, properties, and stability have not been convincingly and exhaustively explained. Here we report on an atomic force microscopy (AFM) study of argon nanobubbles on highly oriented pyrolitic graphite (HOPG) in water to elucidate the properties of nanobubble surfaces and the mechanism of AFM tip-nanobubble interaction. In particular, the deformation of the nanobubble-water interface by the AFM tip and the question whether the AFM tip penetrates the nanobubble during scanning were addressed by this combined intermittent contact (tapping) mode and force volume AFM study. We found that the stiffness of nanobubbles was smaller than the cantilever spring constant and comparable with the surface tension of water. The interaction with the AFM tip resulted in severe quasi-linear deformation of the bubbles; however, in the case of tip-bubble attraction, the interface deformed toward the tip. We tested two models of tip-bubble interaction, namely, the capillary force and the dynamic interaction model, and found, depending on the tip properties, good agreement with experimental data. The results showed that the tip-bubble interaction strength and the magnitude of the bubble deformation depend strongly on tip and bubble geometry and on tip and substrate material, and are very sensitive to the presence of contaminations that alter the interfacial tension. In particular, nanobubbles interacted differently with hydrophilic and hydrophobic AFM tips, which resulted in qualitatively and quantitatively different force curves measured on the bubbles in the experiments. To minimize bubble deformation and obtain reliable AFM results, nanobubbles must be measured with a sharp hydrophilic tip and with a cantilever having a very low spring constant in a contamination-free system.

Feasibility of using PZT actuators to study the dynamic behavior of a rotating disk due to rotor-stator interaction.

PubMed

Presas, Alexandre; Egusquiza, Eduard; Valero, Carme; Valentin, David; Seidel, Ulrich

2014-07-07

In this paper, PZT actuators are used to study the dynamic behavior of a rotating disk structure due to rotor-stator interaction excitation. The disk is studied with two different surrounding fluids-air and water. The study has been performed analytically and validated experimentally. For the theoretical analysis, the natural frequencies and the associated mode shapes of the rotating disk in air and water are obtained with the Kirchhoff-Love thin plate theory coupled with the interaction with the surrounding fluid. A model for the Rotor Stator Interaction that occurs in many rotating disk-like parts of turbomachinery such as compressors, hydraulic runners or alternators is presented. The dynamic behavior of the rotating disk due to this excitation is deduced. For the experimental analysis a test rig has been developed. It consists of a stainless steel disk (r = 198 mm and h = 8 mm) connected to a variable speed motor. Excitation and response are measured from the rotating system. For the rotating excitation four piezoelectric patches have been used. Calibrating the piezoelectric patches in amplitude and phase, different rotating excitation patterns are applied on the rotating disk in air and in water. Results show the feasibility of using PZT to control the response of the disk due to a rotor-stator interaction.

[Simple method for precognition of drug interaction between oral iron and phenolic hydroxyl group-containing drugs].

PubMed

Sunagane, Nobuyoshi; Yoshinobu, Etsuko; Murayama, Nobuko; Terawaki, Yasufumi; Kamimura, Naoki; Uruno, Tsutomu

2005-02-01

In the present study, we devised a simple method for detecting the drug interaction between oral iron preparations and phenolic hydroxyl group-containing drugs, using the coloring reaction as indicator, due to the formation of complexes or chelates. In the method, oral iron preparations and test drugs in amounts as much as single dose for adults were added to 10 ml of purified water to make sample suspensions for testing. Thirty minutes after mixing an oral iron suspension and a test drug suspension, the change of color in the mixture was observed macroscopically and graded as 0 to 3, with a marked color change judged as grade 3 and no color change as grade 0. Screening of 14 test drugs commonly used orally was carried out. When using sodium ferrous citrate preparations as oral iron, 5 were classified as grade 3, 2 as grade 2, 4 as grade 1, and 3 as grade 0, respectively. To verify usefulness of the method, the interactions suggested by screening were pharmacokinetically assessed by measuring serum concentrations of the drug in mice. When a levodopa or droxidopa preparation, judged as grade 3 in screening, was concomitantly administered with an iron preparation, a significant reduction in bioavailability of the test drug was observed, indicating possible drug interaction between the test drug and oral iron. Combined administration of an acetaminophen preparation, judged as grade 1, and oral iron preparation showed no influence on the bioavailability of the test drug, implying no detectable interactions between them. In conclusion, the simple method devised in the present study is useful for precognition of drug interactions between oral iron preparations and phenolic hydroxyl group-containing drugs, and the drugs with a higher grade in screening may induce drug interactions with oral iron.

Increased water temperature renders single-housed C57BL/6J mice susceptible to antidepressant treatment in the forced swim test.

PubMed

Bächli, Heidi; Steiner, Michel A; Habersetzer, Ursula; Wotjak, Carsten T

2008-02-11

To investigate genotype x environment interactions in the forced swim test, we tested the influence of water temperature (20 degrees C, 25 degrees C, 30 degrees C) on floating behaviour in single-housed male C57BL/6J and BALB/c mice. We observed a contrasting relationship between floating and water temperature between the two strains, with C57BL/6J floating more and BALB/c floating less with increasing water temperature, independent of the lightening conditions and the time point of testing during the animals' circadian rhythm. Both strains showed an inverse relationship between plasma corticosterone concentration and water temperature, indicating that the differences in stress coping are unrelated to different perception of the aversive encounter. Treatment with desipramine (20mg/kg, i.p.) caused a reduction in immobility time in C57BL/6J mice if the animals were tested at 30 degrees C water temperature, with no effect at 25 degrees C and no effects on forced swim stress-induced corticosterone secretion. The same treatment failed to affect floating behaviour in BALB/c at any temperature, but caused a decrease in plasma corticosterone levels. Taken together we demonstrate that an increase in water temperature in the forced swim test exerts opposite effects on floating behaviour in C57BL/6J and BALB/c and renders single-housed C57BL/6J mice, but not BALB/c mice, susceptible to antidepressant-like behavioral effects of desipramine.

Partial Removal of Pore and Loosely Bound Water by Low-Energy Drying Decreases Cortical Bone Toughness in Young and Old Donors

PubMed Central

Nyman, Jeffry S.; Gorochow, Lacey E.; Horch, R. Adam; Uppuganti, Sasidhar; Zein-Sabatto, Ahbid; Manhard, Mary Katherine; Does, Mark D.

2012-01-01

With an ability to quantify matrix-bound and pore water in bone, 1H nuclear magnetic resonance (NMR) relaxometry can potentially be implemented in clinical imaging to assess the fracture resistance of bone in a way that is independent of current X-ray techniques, which assess bone mineral density as a correlate of bone strength. Working towards that goal, we quantified the effect of partial dehydration in air on the mechanical and NMR properties of human cortical bone in order to understand whether NMR is sensitive to water-bone interactions at low energy and whether such interactions contribute to the age-related difference in the toughness of bone. Cadaveric femurs were collected from male and female donors falling into two age groups: 21 to 60 years of age (young) and 74 to 99 years of age (old). After extracting two samples from the medial cortex of the mid-shaft, tensile tests were conducted on Wet specimens and paired, Partially Dry (PtlD) specimens (prepared by low-energy drying in air to remove ~3% of original mass before testing). Prior analysis by micro-computed tomography found that there were no differences in intra-cortical porosity between the Wet and PtlD specimens nor did an age-related difference in porosity exist. PtlD specimens from young and old donors had significantly less toughness than Wet specimens, primarily due to a dehydration-related decrease in post-yield strain. The low-energy drying protocol did not affect the modulus and yield strength of bone. Subsequent dehydration of the PtlD specimens in a vacuum oven at 62 °C and then 103 °C, with quantification of water loss at each temperature, revealed an age-related shift from more loosely bound water to more tightly bound water. NMR detected a change in both bound and pore water pools with low-energy air-drying, and both pools were effectively removed when bone was oven-dried at 62 °C, irrespective of donor age. Although not strictly significant due to variability in the drying and testing conditions, the absolute difference in toughness between Wet and PtlD tended to be greater for the younger donors that had higher bone toughness and more bound water for the wet condition than did the older donors. With sensitivity to low-energy bone-water interactions, NMR, which underpins magnetic resonance imaging, has potential to assess fracture resistance of bone as it relates to bone toughness. PMID:23631897

Partial removal of pore and loosely bound water by low-energy drying decreases cortical bone toughness in young and old donors.

PubMed

Nyman, Jeffry S; Gorochow, Lacey E; Adam Horch, R; Uppuganti, Sasidhar; Zein-Sabatto, Ahbid; Manhard, Mary Katherine; Does, Mark D

2013-06-01

With an ability to quantify matrix-bound and pore water in bone, (1)H nuclear magnetic resonance (NMR) relaxometry can potentially be implemented in clinical imaging to assess the fracture resistance of bone in a way that is independent of current X-ray techniques, which assess bone mineral density as a correlate of bone strength. Working towards that goal, we quantified the effect of partial dehydration in air on the mechanical and NMR properties of human cortical bone in order to understand whether NMR is sensitive to water-bone interactions at low energy and whether such interactions contribute to the age-related difference in the toughness of bone. Cadaveric femurs were collected from male and female donors falling into two age groups: 21-60 years of age (young) and 74-99 years of age (old). After extracting two samples from the medial cortex of the mid-shaft, tensile tests were conducted on Wet specimens and paired, Partially Dry (PtlD) specimens (prepared by low-energy drying in air to remove ∼3% of original mass before testing). Prior analysis by micro-computed tomography found that there were no differences in intra-cortical porosity between the Wet and PtlD specimens nor did an age-related difference in porosity exist. PtlD specimens from young and old donors had significantly less toughness than Wet specimens, primarily due to a dehydration-related decrease in post-yield strain. The low-energy drying protocol did not affect the modulus and yield strength of bone. Subsequent dehydration of the PtlD specimens in a vacuum oven at 62°C and then 103°C, with quantification of water loss at each temperature, revealed an age-related shift from more loosely bound water to more tightly bound water. NMR detected a change in both bound and pore water pools with low-energy air-drying, and both pools were effectively removed when bone was oven-dried at 62°C, irrespective of donor age. Although not strictly significant due to variability in the drying and testing conditions, the absolute difference in toughness between Wet and PtlD tended to be greater for the younger donors that had higher bone toughness and more bound water for the wet condition than did the older donors. With sensitivity to low-energy bone-water interactions, NMR, which underpins magnetic resonance imaging, has potential to assess fracture resistance of bone as it relates to bone toughness. Published by Elsevier Ltd.

Environment characterization as an aid to wheat improvement: interpreting genotype-environment interactions by modelling water-deficit patterns in North-Eastern Australia.

PubMed

Chenu, K; Cooper, M; Hammer, G L; Mathews, K L; Dreccer, M F; Chapman, S C

2011-03-01

Genotype-environment interactions (GEI) limit genetic gain for complex traits such as tolerance to drought. Characterization of the crop environment is an important step in understanding GEI. A modelling approach is proposed here to characterize broadly (large geographic area, long-term period) and locally (field experiment) drought-related environmental stresses, which enables breeders to analyse their experimental trials with regard to the broad population of environments that they target. Water-deficit patterns experienced by wheat crops were determined for drought-prone north-eastern Australia, using the APSIM crop model to account for the interactions of crops with their environment (e.g. feedback of plant growth on water depletion). Simulations based on more than 100 years of historical climate data were conducted for representative locations, soils, and management systems, for a check cultivar, Hartog. The three main environment types identified differed in their patterns of simulated water stress around flowering and during grain-filling. Over the entire region, the terminal drought-stress pattern was most common (50% of production environments) followed by a flowering stress (24%), although the frequencies of occurrence of the three types varied greatly across regions, years, and management. This environment classification was applied to 16 trials relevant to late stages testing of a breeding programme. The incorporation of the independently-determined environment types in a statistical analysis assisted interpretation of the GEI for yield among the 18 representative genotypes by reducing the relative effect of GEI compared with genotypic variance, and helped to identify opportunities to improve breeding and germplasm-testing strategies for this region.

Initial operation of a solar heating and cooling system in a full-scale solar building test facility

NASA Technical Reports Server (NTRS)

Knoll, R. H.; Miao, D.; Hamlet, I. L.; Jensen, R. N.

1976-01-01

The Solar Building Test Facility (SBTF) was constructed to advance the technology for heating and cooling of office buildings with solar energy. Its purposes are to (1) test system components which include high-performing collectors, (2) test the performance of a complete solar heating and cooling system, (3) investigate component interactions, and (4) investigate durability, maintenance and reliability of components. The SBTF consists of a 50,000 square foot office building modified to accept solar heated water for operation of an absorption air conditioner and for the baseboard heating system. A 12,666 square foot solar collector field with a 30,000 gallon storage tank provides the solar heated water. A description of the system and the collectors selected is printed along with the objectives, test approach, expected system performance, and some preliminary results.

Tested Demonstrations.

ERIC Educational Resources Information Center

Gilbert, George L., Ed.

1990-01-01

Described are demonstrations designed to reveal the important "nonsolvent" properties of water through its interaction with a toy called "Magic Sand" and other synthetic silica derivatives, especially those bonded with organic moities. The procedures for seven demonstrations along with a discussion of the effects are presented. (CW)

Non-equilibrium freezing of water-ice in sandy basaltic regoliths and implications for fluidized debris flows on Mars

NASA Technical Reports Server (NTRS)

Gooding, J. L.

1987-01-01

Many geomorphic features on Mars were attributed to Earth-analogous, cold-climate processes involving movement of water or ice lubricated debris. Clearly, knowledge of the behavior of water in regolith materials under Martian conditions is essential to understanding the postulated geomorphic processes. Experiments were performed with sand-sized samples of natural basaltic regoliths in order to further elucidate how water/regolith interactions depend upon grain size and mineralogy. The data reveal important contrasts with data for clay-mineral substrates and suggest that the microphysics of water/mineral interactions might affect Martian geomorphic processes in ways that are not fully appreciated. Sand and silt sized fractions of two soils from the summit of Mauna Kea were used as Mars-analogous regolith materials. Temperatures were measured for water/ice phase transitions as wet slurries of individual soil fractions which were cooled or heated at controlled rates under a carbon dioxide atmosphere. Freezing and melting of ice was studied as a function of water/soil mass ratio, soil particle size, and thermal-cycle rate. Comparison tests were done under the same conditions with U.S. Geological Survey standard rock powders.

Surface force and vibrational spectroscopic analyses of interfacial water molecules in the vicinity of methoxy-tri(ethylene glycol)-terminated monolayers: mechanisms underlying the effect of lateral packing density on bioinertness.

PubMed

Sekine, Taito; Asatyas, Syifa; Sato, Chikako; Morita, Shigeaki; Tanaka, Masaru; Hayashi, Tomohiro

Unequivocal dependence of bioinertness of self-assembled monolayers of methoxy-tri(ethylene glycol)-terminated alkanethiol (EG3-OMe SAMs) on their packing density has been a mystery for more than two decades. We tackled this long-standing question by performing surface force and surface-enhanced infrared absorption (SEIRA) spectroscopic measurements. Our surface force measurements revealed a physical barrier of interfacial water in the vicinity of the Au-supported EG3-OMe SAM (low packing density), whereas the Ag-supported one (high packing density) did not possess such interfacial water. In addition, the results of SEIRA measurements clearly exhibited that hydrogen bonding states of the interfacial water differ depending on the substrates. We also characterized the bioinertness of these SAMs by protein adsorption tests and adhesion assays of platelet and human umbilical vein endothelial cells. The hydrogen bonding states of the interfacial water and water-induced interaction clearly correlated with the bioinertness of the SAMs, suggesting that the interfacial water plays an important role determining the interaction of the SAMs with biomolecules and cells.

Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water molecules.

PubMed

Haider, Kamran; Huggins, David J

2013-10-28

Intermolecular interactions in the aqueous phase must compete with the interactions between the two binding partners and their solvating water molecules. In biological systems, water molecules in protein binding sites cluster at well-defined hydration sites and can form strong hydrogen-bonding interactions with backbone and side-chain atoms. Displacement of such water molecules is only favorable when the ligand can form strong compensating hydrogen bonds. Conversely, water molecules in hydrophobic regions of protein binding sites make only weak interactions, and the requirements for favorable displacement are less stringent. The propensity of water molecules for displacement can be identified using inhomogeneous fluid solvation theory (IFST), a statistical mechanical method that decomposes the solvation free energy of a solute into the contributions from different spatial regions and identifies potential binding hotspots. In this study, we employed IFST to study the displacement of water molecules from the ATP binding site of Hsp90, using a test set of 103 ligands. The predicted contribution of a hydration site to the hydration free energy was found to correlate well with the observed displacement. Additionally, we investigated if this correlation could be improved by using the energetic scores of favorable probe groups binding at the location of hydration sites, derived from a multiple copy simultaneous search (MCSS) method. The probe binding scores were not highly predictive of the observed displacement and did not improve the predictivity when used in combination with IFST-based hydration free energies. The results show that IFST alone can be used to reliably predict the observed displacement of water molecules in Hsp90. However, MCSS can augment IFST calculations by suggesting which functional groups should be used to replace highly displaceable water molecules. Such an approach could be very useful in improving the hit-to-lead process for new drug targets.

Application of Tracer-Injection Techniques to Demonstrate Surface-Water and Ground-Water Interactions Between an Alpine Stream and the North Star Mine, Upper Animas River Watershed, Southwestern Colorado

USGS Publications Warehouse

Wright, Winfield G.; Moore, Bryan

2003-01-01

Tracer-injection studies were done in Belcher Gulch in the upper Animas River watershed, southwestern Colorado, to determine whether the alpine stream infiltrates into underground mine workings of the North Star Mine and other nearby mines in the area. The tracer-injection studies were designed to determine if and where along Belcher Gulch the stream infiltrates into the mine. Four separate tracer-injec-tion tests were done using lithium bromide (LiBr), optical brightener dye, and sodium chloride (NaCl) as tracer solu-tions. Two of the tracers (LiBr and dye) were injected con-tinuously for 24 hours, one of the NaCl tracers was injected continuously for 12 hours, and one of the NaCl tracers was injected over a period of 1 hour. Concentration increases of tracer constituents were detected in water discharging from the North Star Mine, substantiating a surface-water and ground-water connection between Belcher Gulch and the North Star Mine. Different timing and magnitude of tracer breakthroughs indicated multiple flow paths with different residence times from the stream to the mine. The Pittsburgh and Sultan Mines were thought to physically connect to the North Star Mine, but tracer breakthroughs were inconclusive in water from these mines. From the tracer-injection tests and synoptic measure-ments of streamflow discharge, a conceptual model was devel-oped for surface-water and ground-water interactions between Belcher Gulch and the North Star Mine. This information, combined with previous surface geophysical surveys indicat-ing the presence of subsurface voids, may assist with decision-making process for preventing infiltration and for the remedia-tion of mine drainage from these mines.

Osmotic Pressure Simulations of Amino Acids and Peptides Highlight Potential Routes to Protein Force Field Parameterization

PubMed Central

Miller, Mark S.; Lay, Wesley K.

2016-01-01

Recent molecular dynamics (MD) simulations of proteins have suggested that common force fields overestimate the strength of amino acid interactions in aqueous solution. In an attempt to determine the causes of these effects, we have measured the osmotic coefficients of a number of amino acids using the AMBER ff99SB-ILDN force field with two popular water models, and compared the results with available experimental data. With TIP4P-Ew water, interactions between aliphatic residues agree well with experiment, but interactions of the polar residues serine and threonine are found to be excessively attractive. For all tested amino acids, the osmotic coefficients are lower when the TIP3P water model is used. Additional simulations performed on charged amino acids indicate that the osmotic coefficients are strongly dependent on the parameters assigned to the salt ions, with a reparameterization of the sodium:carboxylate interaction reported by the Aksimentiev group significantly improving description of the osmotic coefficient for glutamate. For five neutral amino acids, we also demonstrate a decrease in solute-solute attractions using the recently reported TIP4P-D water model and using the KBFF force field. Finally, we show that for four two-residue peptides improved agreement with experiment can be achieved by re-deriving the partial charges for each peptide. PMID:27052117

Water Drainage from Unsaturated Soils in a Centrifuge Permeameter

NASA Astrophysics Data System (ADS)

Ornelas, G.; McCartney, J.; Zhang, M.

2013-12-01

This study involves an analysis of water drainage from an initially saturated silt layer in a centrifuge permeameter to evaluate the hydraulic properties of the soil layer in unsaturated conditions up to the point where the water phase becomes discontinuous. These properties include the soil water retention curve (SWRC) and the hydraulic conductivity function (HCF). The hydraulic properties of unsaturated silt are used in soil-atmosphere interaction models that take into account the role of infiltration and evaporation of water from soils due to atmospheric interaction. These models are often applied in slope stability analyses, landfill cover design, aquifer recharge analyses, and agricultural engineering. The hydraulic properties are also relevant to recent research concerning geothermal heating and cooling, as they can be used to assess the insulating effects of soil around underground heat exchangers. This study employs a high-speed geotechnical centrifuge to increase the self-weight of a compacted silt specimen atop a filter plate. Under a centrifuge acceleration of N times earth's gravity, the concept of geometric similitude indicates that the water flow process in a small-scale soil layer will be similar to those in a soil layer in the field that is N times thicker. The centrifuge acceleration also results in an increase in the hydraulic gradient across the silt specimen, which causes water to flow out of the pores following Darcy's law. The drainage test was performed until the rate of liquid water flow out of the soil layer slowed to a negligible level, which corresponds to the transition point at which further water flow can only occur due to water vapor diffusion following Fick's law. The data from the drainage test in the centrifuge were used to determine the SWRC and HCF at different depths in the silt specimen, which compared well with similar properties defined using other laboratory tests. The transition point at which liquid water flow stopped (and Darcy's law is no longer valid) was at a relatively high degree of saturation of 0.8. This finding is important as many water flow analyses in the literature assume that Darcy's law is valid over a much wider range of degrees of saturation, an error that potentially may lead to overestimates of water flow in unsaturated soil layers.

Effect of Modulation of ENSO by Decadal and Multidecadal Ocean-Atmospheric Oscillations on Continental US Streamflows

NASA Astrophysics Data System (ADS)

Singh, S.; Abebe, A.; Srivastava, P.; Chaubey, I.

2017-12-01

Evaluation of the influences of individual and coupled oceanic-atmospheric oscillations on streamflow at a regional scale in the United States is the focus of this study. The main climatic oscillations considered in this study are: El Niño Southern Oscillation (ENSO), Pacific Decadal Oscillation (PDO), Atlantic Multidecadal Oscillation (AMO), and North Atlantic Oscillation (NAO). Unimpacted or minimally impacted by water management streamflow data from the Model Parameter Estimation Experiment (MOPEX) were used in this study. Two robust and novel non-parametric tests, namely, the rank based partial least square (PLS) and the Joint Rank Fit (JRFit) procedures were used to identify the individual and coupled effect of oscillations on streamflow across continental U.S. (CONUS), respectively. Moreover, the interactive effects of ENSO with decadal and multidecadal cycles were tested and quantified using the JRFit interaction test. The analysis of ENSO indicated higher streamflows during La Niña phase compared to the El Niño phase in Northwest, Northeast and the lower part of Ohio Valley while the opposite occurs for rest of the climatic regions in US. Two distinct climate regions (Northwest and Southeast) were identified from the PDO analysis where PDO negative phase results in increased streamflow than PDO positive phase. Consistent negative and positive correlated regions around the CONUS were identified for AMO and NAO, respectively. The interaction test of ENSO with decadal and multidecadal oscillations showed that El Niño is modulated by the negative phase of PDO and NAO, and the positive phase of AMO, respectively, in the Upper Midwest. However, La Niña is modulated by the positive phase of AMO and PDO in Ohio Valley and Northeast while in Southeast and the South it is modulated by AMO negative phase. Results of this study will assist water managers to understand the streamflow change patterns across the CONUS at decadal and multi-decadal time scales. The information derived from this study would be helpful for regional water managers in forecasting regional water availability and help them develop drought adaptation and mitigation policies by incorporating information based on the large scale ocean-atmospheric cycles.

Towards a bulk approach to local interactions of hydrometeors

NASA Astrophysics Data System (ADS)

Baumgartner, Manuel; Spichtinger, Peter

2018-02-01

The growth of small cloud droplets and ice crystals is dominated by the diffusion of water vapor. Usually, Maxwell's approach to growth for isolated particles is used in describing this process. However, recent investigations show that local interactions between particles can change diffusion properties of cloud particles. In this study we develop an approach for including these local interactions into a bulk model approach. For this purpose, a simplified framework of local interaction is proposed and governing equations are derived from this setup. The new model is tested against direct simulations and incorporated into a parcel model framework. Using the parcel model, possible implications of the new model approach for clouds are investigated. The results indicate that for specific scenarios the lifetime of cloud droplets in subsaturated air may be longer (e.g., for an initially water supersaturated air parcel within a downdraft). These effects might have an impact on mixed-phase clouds, for example in terms of riming efficiencies.

On inclusion of water resource management in Earth system models - Part 1: Problem definition and representation of water demand

NASA Astrophysics Data System (ADS)

Nazemi, A.; Wheater, H. S.

2015-01-01

Human activities have caused various changes to the Earth system, and hence the interconnections between human activities and the Earth system should be recognized and reflected in models that simulate Earth system processes. One key anthropogenic activity is water resource management, which determines the dynamics of human-water interactions in time and space and controls human livelihoods and economy, including energy and food production. There are immediate needs to include water resource management in Earth system models. First, the extent of human water requirements is increasing rapidly at the global scale and it is crucial to analyze the possible imbalance between water demands and supply under various scenarios of climate change and across various temporal and spatial scales. Second, recent observations show that human-water interactions, manifested through water resource management, can substantially alter the terrestrial water cycle, affect land-atmospheric feedbacks and may further interact with climate and contribute to sea-level change. Due to the importance of water resource management in determining the future of the global water and climate cycles, the World Climate Research Program's Global Energy and Water Exchanges project (WRCP-GEWEX) has recently identified gaps in describing human-water interactions as one of the grand challenges in Earth system modeling (GEWEX, 2012). Here, we divide water resource management into two interdependent elements, related firstly to water demand and secondly to water supply and allocation. In this paper, we survey the current literature on how various components of water demand have been included in large-scale models, in particular land surface and global hydrological models. Issues of water supply and allocation are addressed in a companion paper. The available algorithms to represent the dominant demands are classified based on the demand type, mode of simulation and underlying modeling assumptions. We discuss the pros and cons of available algorithms, address various sources of uncertainty and highlight limitations in current applications. We conclude that current capability of large-scale models to represent human water demands is rather limited, particularly with respect to future projections and coupled land-atmospheric simulations. To fill these gaps, the available models, algorithms and data for representing various water demands should be systematically tested, intercompared and improved. In particular, human water demands should be considered in conjunction with water supply and allocation, particularly in the face of water scarcity and unknown future climate.

Investigating the interactions of decentralized and centralized wastewater heat recovery systems.

PubMed

Sitzenfrei, Robert; Hillebrand, Sebastian; Rauch, Wolfgang

2017-03-01

In the urban water cycle there are different sources for extracting energy. In addition to potential and chemical energy in the wastewater, thermal energy can also be recovered. Heat can be recovered from the wastewater with heat exchangers that are located decentralized and/or centralized at several locations throughout the system. It can be recovered directly at the source (e.g. in the showers and bathrooms), at building block level (e.g. warm water tanks collecting all grey water), in sewers or at the wastewater treatment plant. However, an uncoordinated installation of systems on such different levels can lead to competing technologies. To investigate these interactions, a modelling environment is set up, tested and calibrated based on continuous sewer temperature and flow measurements. With that approach different heat recovery scenarios on a household level (decentralized) and of in-sewer heat recovery (centralized) are investigated. A maximum performance drop of 40% for a centralized energy recovery system was estimated when all bathrooms are equipped with decentralized recovery systems. Therefore, the proposed modelling approach is suitable for testing different future conditions and to identify robust strategies for heat recovery systems from wastewater.

Effect of the estrous cycle on water maze acquisition depends on the temperature of the water.

PubMed

Rubinow, Marisa J; Arseneau, Linda M; Beverly, J Lee; Juraska, Janice M

2004-08-01

The literature on the effects of ovarian hormones on rodent learning and memory is mixed. In this study, the authors examined the role of task stressfulness. Female hooded rats were tested during proestrus or estrus on the hidden-platform water maze in warm (33 degrees C) or cold (19 degrees C) water. There were no effects of cycle or temperature, but estrous phase interacted with temperature such that proestrous rats performed better overall under the warm condition and estrous rats performed better under the cold condition. Plasma corticosterone, measured after 4 trials, varied significantly with estrous phase. Water temperature, perhaps through stress, influences the effect of estrous phase on water maze performance.

The environmental applications and implications of nanotechnology in membrane-based separations for water treatment

NASA Astrophysics Data System (ADS)

Shan, Wenqian

This dissertation presents results of three related projects focused on the applications of membrane separation technology to water treatment: 1) Experimental design and evaluation of polyelectrolyte multilayer films as regenerable membrane coatings with controllable surface properties; 2) Modeling of the interactions of nanoscale TiO2 and NOM molecules in aqueous solutions of environmentally relevant compositions; 3) Experimental design and preliminary testing of a membrane-based crossflow filtration hydrocyclone process for the separation of oil-in-water dispersions. Chapter 2 describes the design of polyelectrolyte multilayers as nanoscale membrane coatings and their application in nanofiltration of feed waters that contain suspended colloids and dissolved species. Layer-by-layer deposition of anionic and cationic polyelectrolytes was employed to prepare membrane coatings allowing for a fine control over their surface properties. This approach to membrane design also affords a possibility of regenerating coatings after they are fouled by colloids. This project demonstrated, for first time, the possibility of designing nanofiltration membranes with regenerable skin. Chapter 3 describes a study on the mechanisms of natural organic matter (NOM) adsorption onto the surface of titania nanoparticles. Titainia (TiO 2) is often used in the fabrication of ceramic membranes and understanding how NOM interacts with TiO2 can help to better predict ceramic membrane fouling by NOM-containing waters. The combined effect of pH and calcium on the interactions of nonozonated and ozonated NOM with nanoscale TiO 2 was investigated by applying extended Derjaguin --- Landau --- Verwey - Overbeek (XDLVO) modeling. XDLVO surface energy analysis predicted NOM adsorption onto TiO2 in the ozone-controlled regime but not in the calcium-controlled regime. In both regimes, short range NOM-NOM and NOM-TiO2 interactions were governed by acid-base and van der Waals forces, whereas the role of electrostatic forces was found to be relatively insignificant. Ozonation increased the surface energy of NOM, contributing to the hydrophilic repulsion component of the NOM-NOM and NOM-TiO2 interactions. In the calcium-controlled regime, non-XDLVO interactions such as intermolecular bridging by calcium were hypothesized to be responsible for the observed adsorption behavior. Chapter 4 describes research on the crossflow filtration hydrocyclone separation of oil-in-water dispersions wherein a ceramic tubular membrane was used as the permeable wall of the hydrocyclone. Air sparging was applied to mitigate oil fouling. A dual membrane system consisting of an outer hydrophilic ceramic membrane and an inner hydrophobic polymeric membrane was evaluated to test the possibility of separating the dispersion into two streams: 1) oil with zero or very low concentration of water and 2) water with zero or very low concentration of oil. The performance of the dual membrane system indicated the possibility of using membranes with different chemical affinities to cost-effectively separate the oil-water dispersion into two separate phases. The incorporation of air sparging to membrane filtration was found to be effective in mitigating oil fouling with improved permeate flux.

Freshwater in situ toxicity testing: Daphnia magna, Ceriodaphnia dubia, Pimephales promelas, Hyalella azteca and Chironomus tentans

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

Burton, G.A. Jr.

The use of traditional laboratory toxicity test species in field exposures have proven to be a valuable assessment tool for monitoring effluent, water, sediment and storm water quality. Mimicking fluctuating exposures of stressors with associated interactions with differing physico-chemical variables is difficult. In situ exposures are conducted for similar time periods measuring similar response endpoints as in more traditional laboratory tests. However, organisms are transferred to the field and exposed in various types of test chambers. The author has observed responses which are similar and which are significantly different from simultaneous laboratory exposures. Temperature, dissolved oxygen, suspended solids, natural light,more » flow, and predation may affect in situ responses, but are often removed from laboratory exposures. The strengths and weaknesses observed with these test systems over the past few years will be reviewed.« less

J-2X Fuel Turbopump Point of Departure: The Performance of the J-2s Fuel Turbopump Inducer

NASA Technical Reports Server (NTRS)

Sargent, S. R.; Becht, D. G.; Mulder, A. D.

2008-01-01

To aid the J-2X program design effort with detailed performance and environment information, the J-2S fuel turbopump (FTP) inducer has undergone a thorough test series in both water and hydrogen. The test series utilizes both inducer only and a complete pump configuration to assess the inducer interaction to the overall turbopump system. The test goals include verification of suction performance against heritage J-2S data, head production, effects of thermodynamic suppression head (TSH), and evaluation of the inducer dynamic pressure caused by cavitation instabilities. Test facilities at both Pratt & Whitney Rocketdyne (PWR) and NASA s Stennis Space Center (SSC) are employed for the testing. The inducer only water test effort conducted at PWR established performance curves for suction performance, head production, and efficiency over a wide operating range. Because the heritage J-2S suction performance data set is in hydrogen, it is desired to obtain current suction performance data in hydrogen as well, thus avoiding the reliance on a theoretical TSH correlation for direct comparison. This data then provides an empirically based TSH correlation allowing for the comparison of water test suction data to system suction requirements. The FTP testing performed at SSC provides these suction performance relationships as well as inlet duct dynamic pressures during liquid hydrogen operation. The test effort successfully confirms the heritage J-2S suction performance and establishes the amount of TSH between water and hydrogen operation at the design flow coefficient. Correlating data is also obtained for cavitating instability frequency content, illustrating the validity of using the wide flow range water test data to predict hydrogen performance.

Simulation of Wave-Current Interaction Using a Three-Dimensional Hydrodynamic Model Coupled With a Phase Averaged Wave Model

NASA Astrophysics Data System (ADS)

Marsooli, R.; Orton, P. M.; Georgas, N.; Blumberg, A. F.

2016-02-01

The Stevens Institute of Technology Estuarine and Coastal Ocean Model (sECOM) has been coupled with a more advanced surface wave model to simulate wave‒current interaction, and results have been validated in estuarine and nearshore waters. sECOM is a three‒dimensional, hydrostatic, free surface, primitive equation model. It solves the Navier‒Stokes equations and the conservation equations for temperature and salinity using a finite‒difference method on an Arakawa C‒grid with a terrain‒following (sigma) vertical coordinate and orthogonal curvilinear horizontal coordinate system. The model is coupled with the surface wave model developed by Mellor et al. (2008), which solves the spectral equation and takes into account depth and current refraction, and deep and shallow water. The wave model parameterizes the energy distribution in frequency space and the wave‒wave interaction process by using a specified spectrum shape. The coupled wave‒hydrodynamic model considers the wave‒current interaction through wave‒induced bottom stress, depth‒dependent radiation stress, and wave effects on wind‒induced surface stress. The model is validated using the data collected at a natural sandy beach at Duck, North Carolina, during the DUCK94 experiment. This test case reveals the capability of the model to simulate the wave‒current interaction in nearshore coastal systems. The model is further validated using the data collected in Jamaica Bay, a semi‒enclosed body of water located in New York City region. This test reveals the applicability of the model to estuarine systems. These validations of the model and comparisons to its prior wave model, the Great Lakes Environmental Research Laboratory (GLERL) wave model (Donelan 1977), are presented and discussed. ReferencesG.L. Mellor, M.A. Donelan, and L‒Y. Oey, 2008, A Surface Wave Model for Coupling with Numerical Ocean Circulation Models. J. Atmos. Oceanic Technol., 25, 1785‒1807.Donelan, M. A 1977. A simple numerical model for wave and wind stress application. Report, National Water Research Institute, Burlington, Ontario, Canada, 28 pp.

Groundwater and surface-water utilisation using a bank infiltration technique in Malaysia

NASA Astrophysics Data System (ADS)

Shamsuddin, Mohd Khairul Nizar; Sulaiman, Wan Nor Azmin; Suratman, Saim; Zakaria, Mohamad Pauzi; Samuding, Kamarudin

2014-05-01

Bank infiltration (BI) is one of the solutions to providing raw water for public supply in tropical countries. This study in Malaysia explores the use of BI to supplement a polluted surface-water resource with groundwater. Three major factors were investigated: (1) contribution of surface water through BI to the resulting abstraction, (2) input of local groundwater, and (3) water-quality characteristics of the resulting water supply. A geophysical method was employed to define the subsurface geology and hydrogeology, and isotope techniques were performed to identify the source of groundwater recharge and the interaction between surface water and groundwater. The physicochemical and microbiological parameters of the local surface-water bodies and groundwater were analyzed before and during water abstraction. Extracted water revealed a 5-98 % decrease in turbidity, as well as reductions in HCO3 -, Cl-, SO4 2-, NO3 -, Ca2+, Al3+ and As concentrations compared with those of Langat River water. In addition, amounts of E. coli, total coliform and Giardia were significantly reduced (99.9 %). However, water samples from test wells during pumping showed high concentrations of Fe2+ and Mn2+. Pumping test results indicate that the two wells used in the study were able to sustain yields.

Comparison of local grid refinement methods for MODFLOW

USGS Publications Warehouse

Mehl, S.; Hill, M.C.; Leake, S.A.

2006-01-01

Many ground water modeling efforts use a finite-difference method to solve the ground water flow equation, and many of these models require a relatively fine-grid discretization to accurately represent the selected process in limited areas of interest. Use of a fine grid over the entire domain can be computationally prohibitive; using a variably spaced grid can lead to cells with a large aspect ratio and refinement in areas where detail is not needed. One solution is to use local-grid refinement (LGR) whereby the grid is only refined in the area of interest. This work reviews some LGR methods and identifies advantages and drawbacks in test cases using MODFLOW-2000. The first test case is two dimensional and heterogeneous; the second is three dimensional and includes interaction with a meandering river. Results include simulations using a uniform fine grid, a variably spaced grid, a traditional method of LGR without feedback, and a new shared node method with feedback. Discrepancies from the solution obtained with the uniform fine grid are investigated. For the models tested, the traditional one-way coupled approaches produced discrepancies in head up to 6.8% and discrepancies in cell-to-cell fluxes up to 7.1%, while the new method has head and cell-to-cell flux discrepancies of 0.089% and 0.14%, respectively. Additional results highlight the accuracy, flexibility, and CPU time trade-off of these methods and demonstrate how the new method can be successfully implemented to model surface water-ground water interactions. Copyright ?? 2006 The Author(s).

The CELSS Test Facility - A foundation for crop research in space

NASA Technical Reports Server (NTRS)

Straight, C. L.; Macelroy, R. D.

1990-01-01

Under the NASA Space Biology Initiative, a CELSS Test Facility (CTF) is being planned for installation on Space Station Freedom. The CTF will be used to study the productivity of typical CELSS higher plant crops under the microgravity conditions of the Space Station Freedom (SSF). Such science studies will be supported under the CELSS Space Research Project. The CTF will be used to evaluate fundamental issues of crop productivity, such as the production rates of O2, food and transpired water, and CO2 uptake. A series of precursor tests that are essential to the development of the CTF will be flown on Space Shuttle flights. The tests will be used to validate and qualify technology concepts and to answer specific questions regarding seed germination, root/shoot orientation, water condensation and recycling, nutrient delivery, and liquid/gas phase interactions.

Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition

PubMed Central

Kulp, John L.; Cloudsdale, Ian S.; Kulp, John L.

2017-01-01

Chemically diverse fragments tend to collectively bind at localized sites on proteins, which is a cornerstone of fragment-based techniques. A central question is how general are these strategies for predicting a wide variety of molecular interactions such as small molecule-protein, protein-protein and protein-nucleic acid for both experimental and computational methods. To address this issue, we recently proposed three governing principles, (1) accurate prediction of fragment-macromolecule binding free energy, (2) accurate prediction of water-macromolecule binding free energy, and (3) locating sites on a macromolecule that have high affinity for a diversity of fragments and low affinity for water. To test the generality of these concepts we used the computational technique of Simulated Annealing of Chemical Potential to design one small fragment to break the RecA-RecA protein-protein interaction and three fragments that inhibit peptide-deformylase via water-mediated multi-body interactions. Experiments confirm the predictions that 6-hydroxydopamine potently inhibits RecA and that PDF inhibition quantitatively tracks the water-mediated binding predictions. Additionally, the principles correctly predict the essential bound waters in HIV Protease, the surprisingly extensive binding site of elastase, the pinpoint location of electron transfer in dihydrofolate reductase, the HIV TAT-TAR protein-RNA interactions, and the MDM2-MDM4 differential binding to p53. The experimental confirmations of highly non-obvious predictions combined with the precise characterization of a broad range of known phenomena lend strong support to the generality of fragment-based methods for characterizing molecular recognition. PMID:28837642

Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition.

PubMed

Kulp, John L; Cloudsdale, Ian S; Kulp, John L; Guarnieri, Frank

2017-01-01

Chemically diverse fragments tend to collectively bind at localized sites on proteins, which is a cornerstone of fragment-based techniques. A central question is how general are these strategies for predicting a wide variety of molecular interactions such as small molecule-protein, protein-protein and protein-nucleic acid for both experimental and computational methods. To address this issue, we recently proposed three governing principles, (1) accurate prediction of fragment-macromolecule binding free energy, (2) accurate prediction of water-macromolecule binding free energy, and (3) locating sites on a macromolecule that have high affinity for a diversity of fragments and low affinity for water. To test the generality of these concepts we used the computational technique of Simulated Annealing of Chemical Potential to design one small fragment to break the RecA-RecA protein-protein interaction and three fragments that inhibit peptide-deformylase via water-mediated multi-body interactions. Experiments confirm the predictions that 6-hydroxydopamine potently inhibits RecA and that PDF inhibition quantitatively tracks the water-mediated binding predictions. Additionally, the principles correctly predict the essential bound waters in HIV Protease, the surprisingly extensive binding site of elastase, the pinpoint location of electron transfer in dihydrofolate reductase, the HIV TAT-TAR protein-RNA interactions, and the MDM2-MDM4 differential binding to p53. The experimental confirmations of highly non-obvious predictions combined with the precise characterization of a broad range of known phenomena lend strong support to the generality of fragment-based methods for characterizing molecular recognition.

Impact of interspecific interactions on the soil water uptake depth in a young temperate mixed species plantation

NASA Astrophysics Data System (ADS)

Grossiord, Charlotte; Gessler, Arthur; Granier, André; Berger, Sigrid; Bréchet, Claude; Hentschel, Rainer; Hommel, Robert; Scherer-Lorenzen, Michael; Bonal, Damien

2014-11-01

Interactions between tree species in forests can be beneficial to ecosystem functions and services related to the carbon and water cycles by improving for example transpiration and productivity. However, little is known on below- and above-ground processes leading to these positive effects. We tested whether stratification in soil water uptake depth occurred between four tree species in a 10-year-old temperate mixed species plantation during a dry summer. We selected dominant and co-dominant trees of European beech, Sessile oak, Douglas fir and Norway spruce in areas with varying species diversity, competition intensity, and where different plant functional types (broadleaf vs. conifer) were present. We applied a deuterium labelling approach that consisted of spraying labelled water to the soil surface to create a strong vertical gradient of the deuterium isotope composition in the soil water. The deuterium isotope composition of both the xylem sap and the soil water was measured before labelling, and then again three days after labelling, to estimate the soil water uptake depth using a simple modelling approach. We also sampled leaves and needles from selected trees to measure their carbon isotope composition (a proxy for water use efficiency) and total nitrogen content. At the end of the summer, we found differences in the soil water uptake depth between plant functional types but not within types: on average, coniferous species extracted water from deeper layers than did broadleaved species. Neither species diversity nor competition intensity had a detectable influence on soil water uptake depth, foliar water use efficiency or foliar nitrogen concentration in the species studied. However, when coexisting with an increasing proportion of conifers, beech extracted water from progressively deeper soil layers. We conclude that complementarity for water uptake could occur in this 10-year-old plantation because of inherent differences among functional groups (conifers and broadleaves). Furthermore, water uptake depth of beech was already influenced at this young development stage by interspecific interactions whereas no clear niche differentiation occurred for the other species. This finding does not preclude that plasticity-mediated responses to species interactions could increase as the plantation ages, leading to the coexistence of these species in adult forest stands.

Feasibility of Using PZT Actuators to Study the Dynamic Behavior of a Rotating Disk due to Rotor-Stator Interaction

PubMed Central

Presas, Alexandre; Egusquiza, Eduard; Valero, Carme; Valentin, David; Seidel, Ulrich

2014-01-01

In this paper, PZT actuators are used to study the dynamic behavior of a rotating disk structure due to rotor-stator interaction excitation. The disk is studied with two different surrounding fluids—air and water. The study has been performed analytically and validated experimentally. For the theoretical analysis, the natural frequencies and the associated mode shapes of the rotating disk in air and water are obtained with the Kirchhoff-Love thin plate theory coupled with the interaction with the surrounding fluid. A model for the Rotor Stator Interaction that occurs in many rotating disk-like parts of turbomachinery such as compressors, hydraulic runners or alternators is presented. The dynamic behavior of the rotating disk due to this excitation is deduced. For the experimental analysis a test rig has been developed. It consists of a stainless steel disk (r = 198 mm and h = 8 mm) connected to a variable speed motor. Excitation and response are measured from the rotating system. For the rotating excitation four piezoelectric patches have been used. Calibrating the piezoelectric patches in amplitude and phase, different rotating excitation patterns are applied on the rotating disk in air and in water. Results show the feasibility of using PZT to control the response of the disk due to a rotor-stator interaction. PMID:25004151

Interaction between arsenic exposure from drinking water and genetic polymorphisms on cardiovascular disease in Bangladesh: a prospective case-cohort study.

PubMed

Wu, Fen; Jasmine, Farzana; Kibriya, Muhammad G; Liu, Mengling; Cheng, Xin; Parvez, Faruque; Islam, Tariqul; Ahmed, Alauddin; Rakibuz-Zaman, Muhammad; Jiang, Jieying; Roy, Shantanu; Paul-Brutus, Rachelle; Slavkovich, Vesna; Islam, Tariqul; Levy, Diane; VanderWeele, Tyler J; Pierce, Brandon L; Graziano, Joseph H; Ahsan, Habibul; Chen, Yu

2015-05-01

Epidemiologic data on genetic susceptibility to cardiovascular effects of arsenic exposure from drinking water are limited. We investigated whether the association between well-water arsenic and cardiovascular disease (CVD) differed by 170 single nucleotide polymorphisms (SNPs) in 17 genes related to arsenic metabolism, oxidative stress, inflammation, and endothelial dysfunction. We conducted a prospective case-cohort study nested in the Health Effects of Arsenic Longitudinal Study, with a random subcohort of 1,375 subjects and 447 incident fatal and nonfatal cases of CVD. Well-water arsenic was measured in 2000 at baseline. The CVD cases, 56 of which occurred in the subcohort, included 238 coronary heart disease cases, 165 stroke cases, and 44 deaths due to other CVD identified during follow-up from 2000 to 2012. Of the 170 SNPs tested, multiplicative interactions between well-water arsenic and two SNPs, rs281432 in ICAM1 (padj = 0.0002) and rs3176867 in VCAM1 (padj = 0.035), were significant for CVD after adjustment for multiple testing. Compared with those with GC or CC genotype in rs281432 and lower well-water arsenic, the adjusted hazard ratio (aHR) for CVD was 1.82 (95% CI: 1.31, 2.54) for a 1-SD increase in well-water arsenic combined with the GG genotype, which was greater than expected given aHRs of 1.08 and 0.96 for separate effects of arsenic and the genotype alone, respectively. Similarly, the joint aHR for arsenic and the rs3176867 CC genotype was 1.34 (95% CI: 0.95, 1.87), greater than expected given aHRs for their separate effects of 1.02 and 0.84, respectively. Associations between CVD and arsenic exposure may be modified by genetic variants related to endothelial dysfunction.

The Interaction between Heterotrophic Bacteria and Coliform, Fecal Coliform, Fecal Streptococci Bacteria in the Water Supply Networks.

PubMed

Amanidaz, Nazak; Zafarzadeh, Ali; Mahvi, Amir Hossein

2015-12-01

This study investigated the interaction between heterotrophic bacteria and coliform, fecal coliforms, fecal streptococci bacteria in water supply networks. This study was conducted during 2013 on water supply distribution network in Aq Qala City, Golestan Province, Northern Iran and standard methods were applied for microbiological analysis. The surface method was applied to test the heterotrophic bacteria and MPN method was used for coliform, fecal coliform and fecal streptococci bacteria measurements. In 114 samples, heterotrophic bacteria count were over 500 CFU/ml, which the amount of fecal coliform, coliform, and fecal streptococci were 8, 32, and 20 CFU/100 ml, respectively. However, in the other 242 samples, with heterotrophic bacteria count being less than 500 CFU/ml, the amount of fecal coliform, coliform, and fecal streptococci was 7, 23, and 11 CFU/100ml, respectively. The relationship between heterotrophic bacteria, coliforms and fecal streptococci was highly significant (P<0.05). We observed the concentration of coliforms, fecal streptococci bacteria being high, whenever the concentration of heterotrophic bacteria in the water network systems was high. Interaction between heterotrophic bacteria and coliform, fecal coliforms, fecal streptococci bacteria in the Aq Qala City water supply networks was not notable. It can be due to high concentrations of organic carbon, bio-films and nutrients, which are necessary for growth, and survival of all microorganisms.

The Interaction between Heterotrophic Bacteria and Coliform, Fecal Coliform, Fecal Streptococci Bacteria in the Water Supply Networks

PubMed Central

AMANIDAZ, Nazak; ZAFARZADEH, Ali; MAHVI, Amir Hossein

2015-01-01

Background: This study investigated the interaction between heterotrophic bacteria and coliform, fecal coliforms, fecal streptococci bacteria in water supply networks. Methods: This study was conducted during 2013 on water supply distribution network in Aq Qala City, Golestan Province, Northern Iran and standard methods were applied for microbiological analysis. The surface method was applied to test the heterotrophic bacteria and MPN method was used for coliform, fecal coliform and fecal streptococci bacteria measurements. Results: In 114 samples, heterotrophic bacteria count were over 500 CFU/ml, which the amount of fecal coliform, coliform, and fecal streptococci were 8, 32, and 20 CFU/100 ml, respectively. However, in the other 242 samples, with heterotrophic bacteria count being less than 500 CFU/ml, the amount of fecal coliform, coliform, and fecal streptococci was 7, 23, and 11 CFU/100ml, respectively. The relationship between heterotrophic bacteria, coliforms and fecal streptococci was highly significant (P<0.05). We observed the concentration of coliforms, fecal streptococci bacteria being high, whenever the concentration of heterotrophic bacteria in the water network systems was high. Conclusion: Interaction between heterotrophic bacteria and coliform, fecal coliforms, fecal streptococci bacteria in the Aq Qala City water supply networks was not notable. It can be due to high concentrations of organic carbon, bio-films and nutrients, which are necessary for growth, and survival of all microorganisms. PMID:26811820

Cardiorespiratory performance of coronary artery disease patients on land versus underwater treadmill tests: a comparative study

PubMed Central

Garcia, Mauricio Koprowski; Rizzo, Limanara; Yazbek-Júnior, Paulo; Yutiyama, Daniela; da Silva, Fabiola Jomar; Matheus, Denise; Mastrocolla, Luiz Eduardo; Massad, Eduardo

2017-01-01

OBJECTIVE: To compare responses to a cardiopulmonary exercise test on land versus on an underwater treadmill, to assess the cardiorespiratory performance of coronary artery disease patients while immersed in warm water and to compare with the performance of healthy individuals. METHODS: The sample population consisted of 40 subjects, which included 20 coronary artery disease patients aged 63.7±8.89 years old, functional class I and II, according to the New York Hearth Association, and 20 healthy subjects aged 64.7±7.09 years old. The statistical significances were calculated through an ANOVA test with a (1 - β) power of 0.861. ClinicalTrials.gov: NCT00989248 (22). RESULTS: Significant differences were uncovered in coronary artery disease group regarding the variables heart beats (HB), (p>0.01), oxygen consumption (VO2), (p>0.01) and carbon dioxide production (VCO2) (p<0.01). Also, for the same group, in relation to the environment, water versus on land for HB, VO2, VCO2 and oxygen for each heart beat (VO2/HB) all of than (p<0.01). The stages for data collected featured the subject’s performance throughout the experiment, and within the given context, variables rating of perceived exertion (RPE), HB, VO2, VCO2 and VO2/HB (p<0.01) showed significant interactions between test stages and environment. Additionally, there was a significant interaction between the etiology and the test stages for the variables HB, VO2 and VCO2 (p<0.01). Electrocardiographic changes compatible with myocardial ischemia or arrhythmia were not observed. The subjects exhibited lower scores on Borg’s perceived exertion scale in the water than at every one of the test stages on land (p<0.01). CONCLUSION: This study show that a cardiopulmonary exercise test can be safely conducted in subjects in immersion and that the procedures, resources and equipment used yielded replicable and reliable data. Significant differences observed in water versus on land allow us to conclude that coronary artery disease patients are able to do physical exercise in water and that the physiological effects of immersion do not present any risk for such patients, as exercise was well tolerated by all subjects. PMID:29236912

Multidimensional Mixing Behavior of Steam-Water Flow in a Downcomer Annulus During LBLOCA Reflood Phase with a Direct Vessel Injection Mode

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

Kwon, Tae-Soon; Yun, Byong-Jo; Euh, Dong-Jin

Multidimensional thermal-hydraulic behavior in the downcomer annulus of a pressurized water reactor (PWR) vessel with a direct vessel injection mode is presented based on the experimental observation in the MIDAS (multidimensional investigation in downcomer annulus simulation) steam-water test facility. From the steady-state test results to simulate the late reflood phase of a large-break loss-of-coolant accident (LBLOCA), isothermal lines show the multidimensional phenomena of a phasic interaction between steam and water in the downcomer annulus very well. MIDAS is a steam-water separate effect test facility, which is 1/4.93 linearly scaled down to a 1400-MW(electric) PWR type of a nuclear reactor, focusedmore » on understanding multidimensional thermal-hydraulic phenomena in a downcomer annulus with various types of safety injection during the refill or reflood phase of an LBLOCA. The initial and the boundary conditions are scaled from the pretest analysis based on the preliminary calculation using the TRAC code. The superheated steam with a superheating degree of 80 K at a given downcomer pressure of 180 kPa is injected equally through three intact cold legs into the downcomer.« less

Estimating Water Fluxes Across the Sediment-Water Interface in the Lower Merced River, California

USGS Publications Warehouse

Zamora, Celia

2008-01-01

The lower Merced River Basin was chosen by the U.S. Geological Survey?s (USGS) National Water Quality Assessment Program (NAWQA) to be included in a national study on how hydrological processes and agricultural practices interact to affect the transport and fate of agricultural chemicals. As part of this effort, surface-water?ground-water (sw?gw) interactions were studied in an instrumented 100-m reach on the lower Merced River. This study focused on estimating vertical rates of exchange across the sediment?water interface by direct measurement using seepage meters and by using temperature as a tracer coupled with numerical modeling. Temperature loggers and pressure transducers were placed in monitoring wells within the streambed and in the river to continuously monitor temperature and hydraulic head every 15 minutes from March 2004 to October 2005. One-dimensional modeling of heat and water flow was used to interpret the temperature and head observations and deduce the sw?gw fluxes using the USGS numerical model, VS2DH, which simulates variably saturated water flow and solves the energy transport equation. Results of the modeling effort indicate that the Merced River at the study reach is generally a slightly gaining stream with small head differences (cm) between the surface water and ground water, with flow reversals occurring during high streamflow events. The average vertical flux across the sediment?water interface was 0.4?2.2 cm/day, and the range of hydraulic conductivities was 1?10 m/day. Seepage meters generally failed to provide accurate data in this high-energy system because of slow seepage rates and a moving streambed resulting in scour or burial of the seepage meters. Estimates of streambed hydraulic conductivity were also made using grain-size analysis and slug tests. Estimated hydraulic conductivity for the upstream transect determined using slug tests ranged from 40 to 250 m/day, whereas the downstream transect ranged from 10 to 100 m/day. The range in variability was a result of position along each transect. A relative percent difference was used to describe the variability in estimates of hydraulic conductivity by grain-size analysis and slug test. Variability in applied methods at the upstream transect ranged from 0 to 9 percent, whereas the downstream transect showed greater variability, with a range of 80 to 133 percent.

Submarine Propulsion Shaft Life: Probabilistic Prediction and Extension through Prevention of Water Ingress

DTIC Science & Technology

2014-06-01

Even well- controlled laboratory testing saw a range of COV from less than 10 percent to over 500 percent for different steels (Tryon & Cruse...identified. This 6-year limit is driven by concerns about corrosion fatigue , a process initiated by water gaining access to the carbon steel of the shaft...physics and is controlled by different parameters and interactions of the many variables involved. Figure 2 depicts the corrosion fatigue sequence of

A MODFLOW Infiltration Device Package for Simulating Storm Water Infiltration.

PubMed

Jeppesen, Jan; Christensen, Steen

2015-01-01

This article describes a MODFLOW Infiltration Device (INFD) Package that can simulate infiltration devices and their two-way interaction with groundwater. The INFD Package relies on a water balance including inflow of storm water, leakage-like seepage through the device faces, overflow, and change in storage. The water balance for the device can be simulated in multiple INFD time steps within a single MODFLOW time step, and infiltration from the device can be routed through the unsaturated zone to the groundwater table. A benchmark test shows that the INFD Package's analytical solution for stage computes exact results for transient behavior. To achieve similar accuracy by the numerical solution of the MODFLOW Surface-Water Routing (SWR1) Process requires many small time steps. Furthermore, the INFD Package includes an improved representation of flow through the INFD sides that results in lower infiltration rates than simulated by SWR1. The INFD Package is also demonstrated in a transient simulation of a hypothetical catchment where two devices interact differently with groundwater. This simulation demonstrates that device and groundwater interaction depends on the thickness of the unsaturated zone because a shallow groundwater table (a likely result from storm water infiltration itself) may occupy retention volume, whereas a thick unsaturated zone may cause a phase shift and a change of amplitude in groundwater table response to a change of infiltration. We thus find that the INFD Package accommodates the simulation of infiltration devices and groundwater in an integrated manner on small as well as large spatial and temporal scales. © 2014, National Ground Water Association.

Monitoring groundwater and river interaction along the Hanford reach of the Columbia River

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

Campbell, M.D.

1994-04-01

As an adjunct to efficient Hanford Site characterization and remediation of groundwater contamination, an automatic monitor network has been used to measure Columbia River and adjacent groundwater levels in several areas of the Hanford Site since 1991. Water levels, temperatures, and electrical conductivity measured by the automatic monitor network provided an initial database with which to calibrate models and from which to infer ground and river water interactions for site characterization and remediation activities. Measurements of the dynamic river/aquifer system have been simultaneous at 1-hr intervals, with a quality suitable for hydrologic modeling and for computer model calibration and testing.more » This report describes the equipment, procedures, and results from measurements done in 1993.« less

Molecular Theory and Simulation of Water-Oil Contacts

NASA Astrophysics Data System (ADS)

Tan, Liang

The statistical mechanical theory of hydrophobic interactions was initiated decades ago for purely repulsive hydrophobic species, in fact, originally for hard-sphere solutes in liquid water. Systems which treat only repulsive solute-water interactions obviously differ from the real world situation. The issue of the changes to be expected from inclusion of realistic attractive solute-water interactions has been of specific interest also for decades. We consider the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions. The principal result of LMF theory is outlined, then tested by obtaining radial distribution functions (rdfs) for Ar atoms in water, with and without attractive interactions distinguished by the Weeks-Chandler-Andersen (WCA) separation. Change from purely repulsive atomic solute interactions to include realistic attractive interactions substantially diminishes the strength of hydrophobic bonds. Since attractions make a big contribution to hydrophobic interactions, Pratt-Chandler theory, which did not include attractions, should not be naively compared to computer simulation results with general physical interactions, including attractions. Lack of general appreciation of this point has lead to mistaken comparisons throughout the history of this subject. The rdfs permit evaluation of osmotic second virial coefficients B2. Those B 2 are consistent with the conclusion that incorporation of attractive interactions leads to more positive (repulsive) values. In all cases here, B2 becomes more attractive with increasing temperature below T = 360K, the so-call inverse temperature behavior. In 2010, the Gulf of Mexico Macondo well (Deepwater Horizon) oil spill focused the attention of the world on water-oil phase equilibrium. In response to the disaster, chemical dispersants were applied to break oil slicks into droplets and thus to avoid large-scale fouling of beaches and to speed up biodegradation. Eventually the dispersant COREXIT 9500 was used predominantly in responding to this accident. The formulation of COREXIT dispersants is somewhat complicated and the various constituents (and their interactions) deserve exhaustive study. Here we focus on sorbitan monooleate (SPAN80), one important component of COREXIT 9500, and we investigate its behavior in oil-water-surfactant systems. Extensive all-atom molecular dynamics calculations on the water-squalane interface for nine different loadings with SPAN80, at T = 300K, are analyzed for the surface tension equation of state, desorption free energy profiles as they depend on loading, and to evaluate escape times for absorbed SPAN80 into the bulk phases. These results suggest that loading only weakly affects accommodation of a SPAN80 molecule by this squalane-water interface. Specifically, the surface tension equation of state is simple from conditions of low loading (high tension) to high loading (lower tension) studied, and the desorption free energy profiles are weakly dependent on loading here. The perpendicular motion of the centroid of the SPAN80 head-group ring is well-described by a diffusional model near the minimum of the desorption free energy profile. Lateral diffusional motion is weakly dependent on loading. Escape times evaluated on the basis of a diffusional model and the desorption free energies are 0.07 s (into the squalane) and 300 h (into the water). The latter value is consistent with irreversible absorption observed by related experimental work.

A subsurface drip irrigation system for weighing lysimetry

USDA-ARS?s Scientific Manuscript database

Large, precision weighing lysimeters can have accuracies as good as 0.04 mm equivalent depth of water, adequate for hourly and even half-hourly determinations of evapotranspiration (ET) rate from crops. Such data are important for testing and improving simulation models of the complex interactions o...

Validation and Simulation of Ares I Scale Model Acoustic Test - 3 - Modeling and Evaluating the Effect of Rainbird Water Deluge Inclusion

NASA Technical Reports Server (NTRS)

Strutzenberg, Louise L.; Putman, Gabriel C.

2011-01-01

The Ares I Scale Model Acoustics Test (ASMAT) is a series of live-fire tests of scaled rocket motors meant to simulate the conditions of the Ares I launch configuration. These tests have provided a well documented set of high fidelity measurements useful for validation including data taken over a range of test conditions and containing phenomena like Ignition Over-Pressure and water suppression of acoustics. Building on dry simulations of the ASMAT tests with the vehicle at 5 ft. elevation (100 ft. real vehicle elevation), wet simulations of the ASMAT test setup have been performed using the Loci/CHEM computational fluid dynamics software to explore the effect of rainbird water suppression inclusion on the launch platform deck. Two-phase water simulation has been performed using an energy and mass coupled lagrangian particle system module where liquid phase emissions are segregated into clouds of virtual particles and gas phase mass transfer is accomplished through simple Weber number controlled breakup and boiling models. Comparisons have been performed to the dry 5 ft. elevation cases, using configurations with and without launch mounts. These cases have been used to explore the interaction between rainbird spray patterns and launch mount geometry and evaluate the acoustic sound pressure level knockdown achieved through above-deck rainbird deluge inclusion. This comparison has been anchored with validation from live-fire test data which showed a reduction in rainbird effectiveness with the presence of a launch mount.

River-spring connectivity and hydrogeochemical interactions in a shallow fractured rock formation. The case study of Fuensanta river valley (Southern Spain)

NASA Astrophysics Data System (ADS)

Barberá, J. A.; Andreo, B.

2017-04-01

In upland catchments, the hydrology and hydrochemistry of streams are largely influenced by groundwater inflows, at both regional and local scale. However, reverse conditions (groundwater dynamics conditioned by surface water interferences), although less described, may also occur. In this research, the local river-spring connectivity and induced hydrogeochemical interactions in intensely folded, fractured and layered Cretaceous marls and marly-limestones (Fuensanta river valley, S Spain) are discussed based on field observations, tracer tests and hydrodynamic and hydrochemical data. The differential flow measurements and tracing experiments performed in the Fuensanta river permitted us to quantify the surface water losses and to verify its direct hydraulic connection with the Fuensanta spring. The numerical simulations of tracer breakthrough curves suggest the existence of a groundwater flow system through well-connected master and tributary fractures, with fast and multi-source flow components. Furthermore, the multivariate statistical analysis conducted using chemical data from the sampled waters, the geochemical study of water-rock interactions and the proposed water mixing approach allowed the spatial characterization of the chemistry of the springs and river/stream waters draining low permeable Cretaceous formations. Results corroborated that the mixing of surface waters, as well as calcite dissolution and CO2 dissolution/exsolution, are the main geochemical processes constraining Fuensanta spring hydrochemistry. The estimated contribution of the tributary surface waters to the spring flow during the research period was approximately 26-53% (Fuensanta river) and 47-74% (Convento stream), being predominant the first component during high flow and the second one during the dry season. The identification of secondary geochemical processes (dolomite and gypsum dissolution and dedolomitization) in Fuensanta spring waters evidences the induced hydrogeochemical changes resulting from the allogenic recharge. This research highlights the usefulness of an integrated approach based on river and spring flow examination, dye tracing interpretation and regression and multivariate statistical analysis using hydrochemical data for surface water-groundwater interaction assessment in fractured complex environments worldwide, whose implementation becomes critical for an appropriate groundwater policy.

Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

PubMed Central

Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

2016-01-01

The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/super-critical CO2. According to the experimental results, the values of UCS, Young’s modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO2. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young’s modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young’s modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO2, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO2). SC-CO2 causes a greater reduction of shale’s mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO2. The EDS results show that CO2-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation. PMID:28773784

Experimental Investigation of Mechanical Properties of Black Shales after CO₂-Water-Rock Interaction.

PubMed

Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

2016-08-06

The effects of CO₂-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO₂ in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/super-critical CO₂. According to the experimental results, the values of UCS, Young's modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO₂. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young's modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young's modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO₂, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO₂). SC-CO₂ causes a greater reduction of shale's mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO₂. The EDS results show that CO₂-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation.

Perturbation analyses of intermolecular interactions

NASA Astrophysics Data System (ADS)

Koyama, Yohei M.; Kobayashi, Tetsuya J.; Ueda, Hiroki R.

2011-08-01

Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to the conformational fluctuations are complicated. To identify important intermolecular interactions with regard to the conformational fluctuations, we develop herein (i) distance-independent and (ii) distance-dependent perturbation analyses of the intermolecular interactions. We show that these perturbation analyses can be realized by performing (i) a principal component analysis using conditional expectations of truncated and shifted intermolecular potential energy terms and (ii) a functional principal component analysis using products of intermolecular forces and conditional cumulative densities. We refer to these analyses as intermolecular perturbation analysis (IPA) and distance-dependent intermolecular perturbation analysis (DIPA), respectively. For comparison of the IPA and the DIPA, we apply them to the alanine dipeptide isomerization in explicit water. Although the first IPA principal components discriminate two states (the α state and PPII (polyproline II) + β states) for larger cutoff length, the separation between the PPII state and the β state is unclear in the second IPA principal components. On the other hand, in the large cutoff value, DIPA eigenvalues converge faster than that for IPA and the top two DIPA principal components clearly identify the three states. By using the DIPA biplot, the contributions of the dipeptide-water interactions to each state are analyzed systematically. Since the DIPA improves the state identification and the convergence rate with retaining distance information, we conclude that the DIPA is a more practical method compared with the IPA. To test the feasibility of the DIPA for larger molecules, we apply the DIPA to the ten-residue chignolin folding in explicit water. The top three principal components identify the four states (native state, two misfolded states, and unfolded state) and their corresponding eigenfunctions identify important chignolin-water interactions to each state. Thus, the DIPA provides the practical method to identify conformational states and their corresponding important intermolecular interactions with distance information.

Perturbation analyses of intermolecular interactions.

PubMed

Koyama, Yohei M; Kobayashi, Tetsuya J; Ueda, Hiroki R

2011-08-01

Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to the conformational fluctuations are complicated. To identify important intermolecular interactions with regard to the conformational fluctuations, we develop herein (i) distance-independent and (ii) distance-dependent perturbation analyses of the intermolecular interactions. We show that these perturbation analyses can be realized by performing (i) a principal component analysis using conditional expectations of truncated and shifted intermolecular potential energy terms and (ii) a functional principal component analysis using products of intermolecular forces and conditional cumulative densities. We refer to these analyses as intermolecular perturbation analysis (IPA) and distance-dependent intermolecular perturbation analysis (DIPA), respectively. For comparison of the IPA and the DIPA, we apply them to the alanine dipeptide isomerization in explicit water. Although the first IPA principal components discriminate two states (the α state and PPII (polyproline II) + β states) for larger cutoff length, the separation between the PPII state and the β state is unclear in the second IPA principal components. On the other hand, in the large cutoff value, DIPA eigenvalues converge faster than that for IPA and the top two DIPA principal components clearly identify the three states. By using the DIPA biplot, the contributions of the dipeptide-water interactions to each state are analyzed systematically. Since the DIPA improves the state identification and the convergence rate with retaining distance information, we conclude that the DIPA is a more practical method compared with the IPA. To test the feasibility of the DIPA for larger molecules, we apply the DIPA to the ten-residue chignolin folding in explicit water. The top three principal components identify the four states (native state, two misfolded states, and unfolded state) and their corresponding eigenfunctions identify important chignolin-water interactions to each state. Thus, the DIPA provides the practical method to identify conformational states and their corresponding important intermolecular interactions with distance information.

A coupled modeling framework for sustainable watershed management in transboundary river basins

NASA Astrophysics Data System (ADS)

Furqan Khan, Hassaan; Yang, Y. C. Ethan; Xie, Hua; Ringler, Claudia

2017-12-01

There is a growing recognition among water resource managers that sustainable watershed management needs to not only account for the diverse ways humans benefit from the environment, but also incorporate the impact of human actions on the natural system. Coupled natural-human system modeling through explicit modeling of both natural and human behavior can help reveal the reciprocal interactions and co-evolution of the natural and human systems. This study develops a spatially scalable, generalized agent-based modeling (ABM) framework consisting of a process-based semi-distributed hydrologic model (SWAT) and a decentralized water system model to simulate the impacts of water resource management decisions that affect the food-water-energy-environment (FWEE) nexus at a watershed scale. Agents within a river basin are geographically delineated based on both political and watershed boundaries and represent key stakeholders of ecosystem services. Agents decide about the priority across three primary water uses: food production, hydropower generation and ecosystem health within their geographical domains. Agents interact with the environment (streamflow) through the SWAT model and interact with other agents through a parameter representing willingness to cooperate. The innovative two-way coupling between the water system model and SWAT enables this framework to fully explore the feedback of human decisions on the environmental dynamics and vice versa. To support non-technical stakeholder interactions, a web-based user interface has been developed that allows for role-play and participatory modeling. The generalized ABM framework is also tested in two key transboundary river basins, the Mekong River basin in Southeast Asia and the Niger River basin in West Africa, where water uses for ecosystem health compete with growing human demands on food and energy resources. We present modeling results for crop production, energy generation and violation of eco-hydrological indicators at both the agent and basin-wide levels to shed light on holistic FWEE management policies in these two basins.

Testing of two source energy balance model under irrigated and dryland conditions using high resolution airborne imagery

USDA-ARS?s Scientific Manuscript database

Two Source Model (TSM) calculates the heat and water exchange and interaction between soil-atmosphere and vegetation-atmosphere separately. This is achieved through decomposition of radiometric surface temperature to soil and vegetation component temperatures either from multi-angular remotely sense...

LANDSAT-4 image data quality analysis for energy related applications. [nuclear power plant sites

NASA Technical Reports Server (NTRS)

Wukelic, G. E. (Principal Investigator)

1983-01-01

No useable LANDSAT 4 TM data were obtained for the Hanford site in the Columbia Plateau region, but TM simulator data for a Virginia Electric Company nuclear power plant was used to test image processing algorithms. Principal component analyses of this data set clearly indicated that thermal plumes in surface waters used for reactor cooling would be discrenible. Image processing and analysis programs were successfully testing using the 7 band Arkansas test scene and preliminary analysis of TM data for the Savanah River Plant shows that current interactive, image enhancement, analysis and integration techniques can be effectively used for LANDSAT 4 data. Thermal band data appear adequate for gross estimates of thermal changes occurring near operating nuclear facilities especially in surface water bodies being used for reactor cooling purposes. Additional image processing software was written and tested which provides for more rapid and effective analysis of the 7 band TM data.

Improved Social Interaction, Recognition and Working Memory with Cannabidiol Treatment in a Prenatal Infection (poly I:C) Rat Model

PubMed Central

Osborne, Ashleigh L; Solowij, Nadia; Babic, Ilijana; Huang, Xu-Feng; Weston-Green, Katrina

2017-01-01

Neuropsychiatric disorders such as schizophrenia are associated with cognitive impairment, including learning, memory and attention deficits. Antipsychotic drugs are limited in their efficacy to improve cognition; therefore, new therapeutic agents are required. Cannabidiol (CBD), the non-intoxicating component of cannabis, has anti-inflammatory, neuroprotective and antipsychotic-like properties; however, its ability to improve the cognitive deficits of schizophrenia remains unclear. Using a prenatal infection model, we examined the effect of chronic CBD treatment on cognition and social interaction. Time-mated pregnant Sprague-Dawley rats (n=16) were administered polyinosinic-polycytidilic acid (poly I:C) (POLY; 4 mg/kg) or saline (CONT) at gestation day 15. Male offspring (PN56) were injected twice daily with 10 mg/kg CBD (CONT+CBD, POLY+CBD; n=12 per group) or vehicle (VEH; CONT+VEH, POLY+VEH; n=12 per group) for 3 weeks. Body weight, food and water intake was measured weekly. The Novel Object Recognition and rewarded T-maze alternation tests assessed recognition and working memory, respectively, and the social interaction test assessed sociability. POLY+VEH offspring exhibited impaired recognition and working memory, and reduced social interaction compared to CONT+VEH offspring (p<0.01). CBD treatment significantly improved recognition, working memory and social interaction deficits in the poly I:C model (p<0.01 vs POLY+VEH), did not affect total body weight gain, food or water intake, and had no effect in control animals (all p>0.05). In conclusion, chronic CBD administration can attenuate the social interaction and cognitive deficits induced by prenatal poly I:C infection. These novel findings present interesting implications for potential use of CBD in treating the cognitive deficits and social withdrawal of schizophrenia. PMID:28230072

Improved Social Interaction, Recognition and Working Memory with Cannabidiol Treatment in a Prenatal Infection (poly I:C) Rat Model.

PubMed

Osborne, Ashleigh L; Solowij, Nadia; Babic, Ilijana; Huang, Xu-Feng; Weston-Green, Katrina

2017-06-01

Neuropsychiatric disorders such as schizophrenia are associated with cognitive impairment, including learning, memory and attention deficits. Antipsychotic drugs are limited in their efficacy to improve cognition; therefore, new therapeutic agents are required. Cannabidiol (CBD), the non-intoxicating component of cannabis, has anti-inflammatory, neuroprotective and antipsychotic-like properties; however, its ability to improve the cognitive deficits of schizophrenia remains unclear. Using a prenatal infection model, we examined the effect of chronic CBD treatment on cognition and social interaction. Time-mated pregnant Sprague-Dawley rats (n=16) were administered polyinosinic-polycytidilic acid (poly I:C) (POLY; 4 mg/kg) or saline (CONT) at gestation day 15. Male offspring (PN56) were injected twice daily with 10 mg/kg CBD (CONT+CBD, POLY+CBD; n=12 per group) or vehicle (VEH; CONT+VEH, POLY+VEH; n=12 per group) for 3 weeks. Body weight, food and water intake was measured weekly. The Novel Object Recognition and rewarded T-maze alternation tests assessed recognition and working memory, respectively, and the social interaction test assessed sociability. POLY+VEH offspring exhibited impaired recognition and working memory, and reduced social interaction compared to CONT+VEH offspring (p<0.01). CBD treatment significantly improved recognition, working memory and social interaction deficits in the poly I:C model (p<0.01 vs POLY+VEH), did not affect total body weight gain, food or water intake, and had no effect in control animals (all p>0.05). In conclusion, chronic CBD administration can attenuate the social interaction and cognitive deficits induced by prenatal poly I:C infection. These novel findings present interesting implications for potential use of CBD in treating the cognitive deficits and social withdrawal of schizophrenia.

Model of annual plants dynamics with facilitation and competition.

PubMed

Droz, Michel; Pękalski, Andrzej

2013-10-21

An individual-based model describing the dynamics of one type of annual plants is presented. We use Monte Carlo simulations where each plant has its own history and the interactions among plants are between nearest neighbours. The character of the interaction (positive or negative) depends on local conditions. The plants compete for two external resources-water and light. The amount of water and/or light a plant receives depends on the external factor but also on local arrangement. Survival, growth and seed production of plants are determined by how well their demands for the resources are met. The survival and seeds production tests have a probabilistic character, which makes the dynamics more realistic than by using a deterministic approach. There is a non-linear coupling between the external supplies. Water evaporates from the soil at a rate depending on constant evaporation rate, local conditions and the amount of light. We examine the dynamics of the plant population along two environmental gradients, allowing also for surplus of water and/or light. We show that the largest number of plants is when the demands for both resources are equal to the supplies. We estimate also the role of evaporation and we find that it depends on the situation. It could be negative, but sometimes it has a positive character. We show that the link between the type of interaction (positive or negative) and external conditions has a complex character. In general in favourable environment plants have a stronger tendency for competitive interactions, leading to mostly isolated plants. When the conditions are getting more difficult, cooperation becomes the dominant type of interactions and the plants grow in clusters. The type of plants-sun-loving or shade tolerating, plays also an important role. © 2013 Elsevier Ltd. All rights reserved.

Interaction between Arsenic Exposure from Drinking Water and Genetic Polymorphisms on Cardiovascular Disease in Bangladesh: A Prospective Case-Cohort Study

PubMed Central

Wu, Fen; Jasmine, Farzana; Kibriya, Muhammad G.; Liu, Mengling; Cheng, Xin; Parvez, Faruque; Islam, Tariqul; Ahmed, Alauddin; Rakibuz-Zaman, Muhammad; Jiang, Jieying; Roy, Shantanu; Paul-Brutus, Rachelle; Slavkovich, Vesna; Islam, Tariqul; Levy, Diane; VanderWeele, Tyler J.; Pierce, Brandon L.; Graziano, Joseph H.; Ahsan, Habibul

2015-01-01

Background: Epidemiologic data on genetic susceptibility to cardiovascular effects of arsenic exposure from drinking water are limited. Objective: We investigated whether the association between well-water arsenic and cardiovascular disease (CVD) differed by 170 single nucleotide polymorphisms (SNPs) in 17 genes related to arsenic metabolism, oxidative stress, inflammation, and endothelial dysfunction. Method: We conducted a prospective case-cohort study nested in the Health Effects of Arsenic Longitudinal Study, with a random subcohort of 1,375 subjects and 447 incident fatal and nonfatal cases of CVD. Well-water arsenic was measured in 2000 at baseline. The CVD cases, 56 of which occurred in the subcohort, included 238 coronary heart disease cases, 165 stroke cases, and 44 deaths due to other CVD identified during follow-up from 2000 to 2012. Results: Of the 170 SNPs tested, multiplicative interactions between well-water arsenic and two SNPs, rs281432 in ICAM1 (padj = 0.0002) and rs3176867 in VCAM1 (padj = 0.035), were significant for CVD after adjustment for multiple testing. Compared with those with GC or CC genotype in rs281432 and lower well-water arsenic, the adjusted hazard ratio (aHR) for CVD was 1.82 (95% CI: 1.31, 2.54) for a 1-SD increase in well-water arsenic combined with the GG genotype, which was greater than expected given aHRs of 1.08 and 0.96 for separate effects of arsenic and the genotype alone, respectively. Similarly, the joint aHR for arsenic and the rs3176867 CC genotype was 1.34 (95% CI: 0.95, 1.87), greater than expected given aHRs for their separate effects of 1.02 and 0.84, respectively. Conclusions: Associations between CVD and arsenic exposure may be modified by genetic variants related to endothelial dysfunction. Citation: Wu F, Jasmine F, Kibriya MG, Liu M, Cheng X, Parvez F, Islam T, Ahmed A, Rakibuz-Zaman M, Jiang J, Roy S, Paul-Brutus R, Slavkovich V, Islam T, Levy D, VanderWeele TJ, Pierce BL, Graziano JH, Ahsan H, Chen Y. 2015. Interaction between arsenic exposure from drinking water and genetic polymorphisms on cardiovascular disease in Bangladesh: a prospective case-cohort study. Environ Health Perspect 123:451–457; http://dx.doi.org/10.1289/ehp.1307883 PMID:25575156

Effects of four recovery methods on repeated maximal rock climbing performance.

PubMed

Heyman, Elsa; DE Geus, Bas; Mertens, Inge; Meeusen, Romain

2009-06-01

Considering the development of rock climbing as a competitive sport, we aimed at investigating the influence of four recovery methods on subsequent maximal climbing performance. In a randomly assigned crossover design, 13 female well-trained climbers (27.1 +/- 8.9 yr) came to the climbing center on four occasions separated by 1 wk. On each occasion, they had to perform two climbing tests (C1 and C2) until volitional exhaustion on a prepracticed route (overhanging wall, level 6b). These two tests were separated by 20 min of recovery. Four recovery methods were used in randomized order: passive recovery, active recovery (cycle ergometer, 30-40 W), electromyostimulation on the forearm muscles (bisymmetric TENS current), or cold water immersion of the forearms and arms (three periods of 5 min at 15 +/- 1 degrees C). Climbing tests' performance was reflected by the number of arm movements and climb duration. Using active recovery and cold water immersion, performance at C2 was maintained in comparison with C1, whereas C2 performance was impaired compared with C1 (P< 0.01) using electromyostimulation and passive recovery (recovery method-by-climb interaction, P < 0.05). Blood lactate decreased during recovery, with the greatest decrease occurring during active recovery (time-by-recovery method interaction, P < 0.001). Arms and forearms' skin temperatures were lower throughout the cold water immersion compared with the other three methods (P < 0.001). Active recovery and cold water immersion are two means of preserving performance when repeating acute exhausting climbing trails in female climbers. These positive effects are accompanied by a greater lactate removal and a decrease in subcutaneous tissues temperatures, respectively.

Observed and predicted reproduction of Ceriodaphnia dubia exposed to chloride, sulfate, and bicarbonate

USGS Publications Warehouse

Lasier, Peter J.; Hardin, Ian R.

2010-01-01

Chronic toxicities of Cl-, SO42-, and HCO3- to Ceriodaphnia dubia were evaluated in low- and moderate-hardness waters using a three-brood reproduction test method. Toxicity tests of anion mixtures were used to determine interaction effects and to produce models predicting C. dubia reproduction. Effluents diluted with low- and moderate-hardness waters were tested with animals acclimated to low- and moderate-hardness conditions to evaluate the models and to assess the effects of hardness and acclimation. Sulfate was significantly less toxic than Cl- and HCO3- in both types of water. Chloride and HCO3- toxicities were similar in low-hardness water, but HCO3- was the most toxic in moderate-hardness water. Low acute-to-chronic ratios indicate that toxicities of these anions will decrease quickly with dilution. Hardness significantly reduced Cl- and SO42- toxicity but had little effect on HCO3-. Chloride toxicity decreased with an increase in Na+ concentration, and CO3- toxicity may have been reduced by the dissolved organic carbon in effluent. Multivariate models using measured anion concentrations in effluents with low to moderate hardness levels provided fairly accurate predictions of reproduction. Determinations of toxicity for several effluents differed significantly depending on the hardness of the dilution water and the hardness of the water used to culture test animals. These results can be used to predict the contribution of elevated anion concentrations to the chronic toxicity of effluents; to identify effluents that are toxic due to contaminants other than Cl-, SO42-, and HCO3-; and to provide a basis for chemical substitutions in manufacturing processes.

Nanotoxicity of graphene oxide: Assessing the influence of oxidation debris in the presence of humic acid.

PubMed

Clemente, Zaira; Castro, Vera Lúcia S S; Franqui, Lidiane S; Silva, Cristiane A; Martinez, Diego Stéfani T

2017-06-01

This study sought to evaluate the toxicological effects of graphene oxide (GO) through tests with Danio rerio (zebrafish) embryos, considering the influence of the base washing treatment and the interaction with natural organic matter (i.e., humic acid, HA). A commercial sample of GO was refluxed with NaOH to remove oxidation debris (OD) byproducts, which resulted in a base washed GO sample (bw-GO). This process decreased the total oxygenated groups in bw-GO and its stability in water compared to GO. When tested in the presence of HA, both GO and bw-GO stabilities were enhanced in water. Although the embryo exposure showed no acute toxicity or malformation, the larvae exposed to GO showed a reduction in their overall length and acetylcholinesterase activity. In the presence of HA, GO also inhibited acid phosphatase activity. Our findings indicate a mitigation of material toxicity after OD removal. The difference in the biological effects may be related to the materials' bioavailability and biophysicochemical interactions. This study reports for the first time the critical influence of OD on the GO material biological reactivity and HA interaction, providing new data for nanomaterial environmental risk assessment and sustainable nanotechnology. Copyright © 2017 Elsevier Ltd. All rights reserved.

Multicomponent amorphous nanofibers electrospun from hot aqueous solutions of a poorly soluble drug.

PubMed

Yu, Deng-Guang; Gao, Li-Dong; White, Kenneth; Branford-White, Christopher; Lu, Wei-Yue; Zhu, Li-Min

2010-11-01

To design and fabricate multicomponent amorphous electrospun nanofibers for synergistically improving the dissolution rate and permeation profiles of poorly water-soluble drugs. Nanofibers were designed to be composed of a poorly water soluble drug, helicid, a hydrophilic polymer polyvinylpyrrolidone as filament-forming matrix, sodium dodecyl sulfate as transmembrane enhancer and mannitol as taste masking agent, and were prepared from hot aqueous co-dissolving solutions of them. An elevated temperature electrospinning process was developed to fabricate the composite nanofibers, which were characterized using FESEM, DSC, XRD, ATR-FTIR, in vitro dissolution and permeation tests. The composite nanofibers were homogeneous with smooth surfaces and uniform structure, and the components were combined together in an amorphous state because of the favorable interactions such as hydrogen bonding, electrostatic interaction and hydrophobic interactions among them. In vitro dissolution and permeation tests demonstrated that the composite nanofibers had a dissolution rate over 26-fold faster than that of crude helicid particles and a 10-fold higher permeation rate across sublingual mucosa. A new type of amorphous material in the form of nanofibers was prepared from hot aqueous solutions of multiple ingredients using an electrospinning process. The amorphous nanofibers were able to improve the dissolution rate and permeation rate of helicid.

Material properties that predict preservative uptake for silicone hydrogel contact lenses.

PubMed

Green, J Angelo; Phillips, K Scott; Hitchins, Victoria M; Lucas, Anne D; Shoff, Megan E; Hutter, Joseph C; Rorer, Eva M; Eydelman, Malvina B

2012-11-01

To assess material properties that affect preservative uptake by silicone hydrogel lenses. We evaluated the water content (using differential scanning calorimetry), effective pore size (using probe penetration), and preservative uptake (using high-performance liquid chromatography with spectrophotometric detection) of silicone and conventional hydrogel soft contact lenses. Lenses grouped similarly based on freezable water content as they did based on total water content. Evaluation of the effective pore size highlighted potential differences between the surface-treated and non-surface-treated materials. The water content of the lens materials and ionic charge are associated with the degree of preservative uptake. The current grouping system for testing contact lens-solution interactions separates all silicone hydrogels from conventional hydrogel contact lenses. However, not all silicone hydrogel lenses interact similarly with the same contact lens solution. Based upon the results of our research, we propose that the same material characteristics used to group conventional hydrogel lenses, water content and ionic charge, can also be used to predict uptake of hydrophilic preservatives for silicone hydrogel lenses. In addition, the hydrophobicity of silicone hydrogel contact lenses, although not investigated here, is a unique contact lens material property that should be evaluated for the uptake of relatively hydrophobic preservatives and tear components.

Investigation of Monodisperse Dendrimeric Polysaccharide Nanoparticle Dispersions Using Small Angle Neutron Scattering

NASA Astrophysics Data System (ADS)

Atkinson, John; Nickels, Jonathan; Papp-Szabo, Erzsi; Katsaras, John; Dutcher, John

2015-03-01

Phytoglycogen is a highly branched polysaccharide that is very similar to the energy storage molecule glycogen. We have isolated monodisperse phytoglycogen nanoparticles from corn and these particles are attractive for applications in the cosmetic, food and beverage, and biomedical industries. Many of these promising applications are due to the special interaction between the nanoparticles and water, which results in: (1) high solubility; (2) low viscosity and high stability in aqueous dispersions; and (3) a remarkable capacity to sequester and retain water. Our rheology measurements indicate that the nanoparticles behave like hard spheres in water, with the viscosity diverging for concentrations >25% (w/w). Because of this, aqueous suspensions of phytoglycogen provide an ideal platform for detailed testing of theories of colloidal glasses and jamming. To further explore the interaction of the phytoglycogen particles and water, we have performed small angle neutron scattering (SANS) measurements on the Extended Q-Range SANS (EQ-SANS) diffractometer at the Spallation Neutron Source at Oak Ridge National Laboratory. Measurements performed on phytoglycogen dispersions in mixtures of hydrogenated and deuterated water have allowed us to determine the particle size and average particle spacing as a function of the phytoglycogen concentration in the limits of dilute and concentrated dispersions.

Removing lead in drinking water with activated carbon

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

Taylor, R.M.; Kuennen, R.W.

A point-of-use (POU) granular activated carbon (GAC) fixed bed adsorber (FBA) was evaluated for reduction of soluble and insoluble lead from drinking water. Some of the factors which affect lead removal by GAC were evaluated, such as carbon type, solution pH, and a limited amount of work on competitive interactions. The design criteria for lead reduction by a POU device are also addressed. Minicolumns were used to evaluate the capacity of carbon for lead under a variety of conditions. The importance of surface chemistry of the carbon and the relationship with the pH of the water for lead reduction wasmore » demonstrated. Results indicate that a properly designed POU-GAC-FBA can reduce lead in drinking water to below the EPA action level of 15 ppb while being tested under a variety of conditions as specified under the National Sanitation Foundation (NSF) International Standard 53 test protocol. 37 refs., 9 figs., 1 tab.« less

Bacterial community diversity in a low-permeability oil reservoir and its potential for enhancing oil recovery.

PubMed

Xiao, Meng; Zhang, Zhong-Zhi; Wang, Jing-Xiu; Zhang, Guang-Qing; Luo, Yi-Jing; Song, Zhao-Zheng; Zhang, Ji-Yuan

2013-11-01

The diversity of indigenous bacterial community and the functional species in the water samples from three production wells of a low permeability oil reservoir was investigated by high-throughput sequencing technology. The potential of application of indigenous bacteria for enhancing oil recovery was evaluated by examination of the effect of bacterial stimulation on the formation water-oil-rock surface interactions and micromodel test. The results showed that production well 88-122 had the most diverse bacterial community and functional species. The broth of indigenous bacteria stimulated by an organic nutrient activator at aerobic condition changed the wettability of the rock surface from oil-wet to water-wet. Micromodel test results showed that flooding using stimulated indigenous bacteria following water flooding improved oil recovery by 6.9% and 7.7% in fractured and unfractured micromodels, respectively. Therefore, the zone of low permeability reservoir has a great potential for indigenous microbial enhanced oil recovery. Copyright © 2013 Elsevier Ltd. All rights reserved.

Immobilized humic substances and immobilized aggregates of humic substances as sorbent for solid phase extraction.

PubMed

Erny, Guillaume L; Gonçalves, Bruna M; Esteves, Valdemar I

2013-09-06

In this work, humic substances (HS) immobilized, as a thin layer or as aggregates, on silica gel were tested as material for solid phase extraction. Some triazines (simazine, atrazine, therbutylazine, atrazine-desethyl-desisopropyl-2-hydroxy, ametryn and terbutryn), have been selected as test analytes due to their environmental importance and to span a large range of solubility and octanol/water partition coefficient (logP). The sorbent was obtained immobilizing a thin layer of HS via physisorption on a pre-coated silica gel with a cationic polymer (polybrene). While the sorbent could be used as it is, it was demonstrated that additional HS could be immobilized, via weak interactions, to form stable humic aggregates. However, while a higher quantity of HS could be immobilized, no significant differences were observed in the sorption parameters. This sorbent have been tested for solid phase extraction to concentrate triazines from aqueous matrixes. The sorbent demonstrated performances equivalent to commercial alternatives as a concentration factor between 50 and 200, depending on the type of triazines, was obtained. Moreover the low cost and the high flow rate of sample through the column allowed using high quantity of sorbent. The analytical procedure was tested with different matrixes including tap water, river water and estuarine water. Copyright © 2013 Elsevier B.V. All rights reserved.

Water Flow Testing and Unsteady Pressure Analysis of a Two-Bladed Liquid Oxidizer Pump Inducer

NASA Technical Reports Server (NTRS)

Schwarz, Jordan B.; Mulder, Andrew; Zoladz, Thomas

2011-01-01

The unsteady fluid dynamic performance of a cavitating two-bladed oxidizer turbopump inducer was characterized through sub-scale water flow testing. While testing a novel inlet duct design that included a cavitation suppression groove, unusual high-frequency pressure oscillations were observed. With potential implications for inducer blade loads, these high-frequency components were analyzed extensively in order to understand their origins and impacts to blade loading. Water flow testing provides a technique to determine pump performance without the costs and hazards associated with handling cryogenic propellants. Water has a similar density and Reynolds number to liquid oxygen. In a 70%-scale water flow test, the inducer-only pump performance was evaluated. Over a range of flow rates, the pump inlet pressure was gradually reduced, causing the flow to cavitate near the pump inducer. A nominal, smooth inducer inlet was tested, followed by an inlet duct with a circumferential groove designed to suppress cavitation. A subsequent 52%-scale water flow test in another facility evaluated the combined inducer-impeller pump performance. With the nominal inlet design, the inducer showed traditional cavitation and surge characteristics. Significant bearing loads were created by large side loads on the inducer during synchronous cavitation. The grooved inlet successfully mitigated these loads by greatly reducing synchronous cavitation, however high-frequency pressure oscillations were observed over a range of frequencies. Analytical signal processing techniques showed these oscillations to be created by a rotating, multi-celled train of pressure pulses, and subsequent CFD analysis suggested that such pulses could be created by the interaction of rotating inducer blades with fluid trapped in a cavitation suppression groove. Despite their relatively low amplitude, these high-frequency pressure oscillations posed a design concern due to their sensitivity to flow conditions and test scale. The amplitude and frequency of oscillations varied considerably over the pump s operating space, making it difficult to predict blade loads.

Copoly(Imide Siloxane) Abhesive Materials with Varied Siloxane Oligomer Length

NASA Technical Reports Server (NTRS)

Wohl, Christopher J.; Atkins, Brad M.; Belcher, Marcus A.; Connell, John W.

2010-01-01

Incorporation of PDMS moieties into a polyimide matrix lowered the surface energy resulting in enhanced adhesive interactions. Polyimide siloxane materials were generated using amine-terminated PDMS oligomers of different lengths to study changes in surface migration behavior, phase segregation, mechanical, thermal, and optical properties. These materials were characterized using contact angle goniometry, tensile testing, and differential scanning calorimetry. The surface migration behavior of the PDMS component depended upon the siloxane molecular weight as indicated by distinct relationships between PDMS chain length and advancing water contact angles. Similar correlations were observed for percent elongation values obtained from tensile testing, while the addition of PDMS reduced the modulus. High fidelity topographical modification via laser ablation patterning further reduced the polyimide siloxane surface energy. Initial particulate adhesion testing experiments demonstrated that polyimide siloxane materials exhibited greater abhesive interactions relative to their respective homopolyimides.

Tangible Landscape: Cognitively Grasping the Flow of Water

NASA Astrophysics Data System (ADS)

Harmon, B. A.; Petrasova, A.; Petras, V.; Mitasova, H.; Meentemeyer, R. K.

2016-06-01

Complex spatial forms like topography can be challenging to understand, much less intentionally shape, given the heavy cognitive load of visualizing and manipulating 3D form. Spatiotemporal processes like the flow of water over a landscape are even more challenging to understand and intentionally direct as they are dependent upon their context and require the simulation of forces like gravity and momentum. This cognitive work can be offloaded onto computers through 3D geospatial modeling, analysis, and simulation. Interacting with computers, however, can also be challenging, often requiring training and highly abstract thinking. Tangible computing - an emerging paradigm of human-computer interaction in which data is physically manifested so that users can feel it and directly manipulate it - aims to offload this added cognitive work onto the body. We have designed Tangible Landscape, a tangible interface powered by an open source geographic information system (GRASS GIS), so that users can naturally shape topography and interact with simulated processes with their hands in order to make observations, generate and test hypotheses, and make inferences about scientific phenomena in a rapid, iterative process. Conceptually Tangible Landscape couples a malleable physical model with a digital model of a landscape through a continuous cycle of 3D scanning, geospatial modeling, and projection. We ran a flow modeling experiment to test whether tangible interfaces like this can effectively enhance spatial performance by offloading cognitive processes onto computers and our bodies. We used hydrological simulations and statistics to quantitatively assess spatial performance. We found that Tangible Landscape enhanced 3D spatial performance and helped users understand water flow.

Influence of localized plasticity on oxidation behaviour of austenitic stainless steels under primary water reactor

NASA Astrophysics Data System (ADS)

Cissé, Sarata; Laffont, Lydia; Lafont, Marie-Christine; Tanguy, Benoit; Andrieu, Eric

2013-02-01

The sensitivity of precipitation-strengthened A286 austenitic stainless steel to stress corrosion cracking was studied by means of slow-strain-rate tests. First, alloy cold working by low cycle fatigue (LCF) was investigated. Fatigue tests under plastic strain control were performed at different strain levels (Δɛp/2 = 0.2%, 0.5%, 0.8% and 2%) to establish correlations between stress softening and the deformation microstructure resulting from the LCF tests. Deformed microstructures were identified through TEM investigations. The interaction between oxidation and localized deformation bands was also studied and it resulted that localized deformation bands are not preferential oxide growth channels. The pre-cycling of the alloy did not modify its oxidation behaviour. However, intergranular oxidation in the subsurface under the oxide layer formed after exposure to PWR primary water was shown.

1H NMR-based metabolomics reveals interactive effects between the carrier solvent methanol and a pharmaceutical mixture in an amphibian developmental bioassay with Limnodynastes peronii.

PubMed

Melvin, Steven D; Jones, Oliver A H; Carroll, Anthony R; Leusch, Frederic D L

2018-05-01

Organic carrier solvents are used in aquatic toxicity testing to improve chemical solubility and facilitate the exploration of dose-response relationships. Both water- and solvent-control groups are normally included in these scenarios to ensure that the solvent itself has no effect on the test organism, but this fails to consider possible interactive effects between carrier solvents and contaminants of interest. We explored this topic by exposing Limnodynastes peronii tadpoles to a mixture of common water-soluble pharmaceuticals (diclofenac, metformin and valproic acid) in the presence and absence of the carrier solvent methanol, according to standard developmental bioassay methodology. Nuclear Magnetic Resonance (NMR) spectroscopy was applied as a platform for untargeted metabolomics, to compare broad sub-lethal hepatotoxicity in solvent- and solvent-free exposure scenarios. Considerable interactive effects were identified between the pharmaceutical mixture and a typical dose of methanol (0.003%). Specifically, pronounced differences were observed between the solvent- and solvent-free exposure groups for leucine, acetate, glutamine, citrate, glycogen, tyrosine, arginine, purine nucleotides and an unidentified metabolite at 6.53 ppm. Various other metabolites exhibited similar disparity related to the use of carrier solvent, but the interactions were non-significant. These results raise important questions about the use of carrier solvents for chemical exposures in aquatic ecotoxicology, and particularly for studies interested in sub-lethal mechanistic information and/or biomarker discovery. Copyright © 2018 Elsevier Ltd. All rights reserved.

Reparametrization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations.

PubMed

Miller, Mark S; Lay, Wesley K; Li, Shuxiang; Hacker, William C; An, Jiadi; Ren, Jianlan; Elcock, Adrian H

2017-04-11

There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparametrize simulation force fields. Here we have investigated the ability of five very commonly used force field and water model combinations to reproduce the osmotic coefficients of seven neutral amino acids and five small molecules. The force fields tested include AMBER ff99SB-ILDN, CHARMM36, GROMOS54a7, and OPLS-AA, with the first of these tested in conjunction with the TIP3P and TIP4P-Ew water models. In general, for both the amino acids and the small molecules, the tested force fields produce computed osmotic coefficients that are lower than experiment; this is indicative of excessively favorable solute-solute interactions. The sole exception to this general trend is provided by GROMOS54a7 when applied to amino acids: in this case, the computed osmotic coefficients are consistently too high. Importantly, we show that all of the force fields tested can be made to accurately reproduce the experimental osmotic coefficients of the amino acids when minor modifications-some previously reported by others and some that are new to this study-are made to the van der Waals interactions of the charged terminal groups. Special care is required, however, when simulating Proline with a number of the force fields, and a hydroxyl-group specific modification is required in order to correct Serine and Threonine when simulated with AMBER ff99SB-ILDN. Interestingly, an alternative parametrization of the van der Waals interactions in the latter force field, proposed by the Nerenberg and Head-Gordon groups, is shown to immediately produce osmotic coefficients that are in excellent agreement with experiment. Overall, this study reinforces the idea that osmotic coefficient measurements can be used to identify general shortcomings in commonly used force fields' descriptions of solute-solute interactions and further demonstrates that modifications to van der Waals parameters provide a simple route to optimizing agreement with experiment.

Reparameterization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations

PubMed Central

Miller, Mark S.; Lay, Wesley K.; Li, Shuxiang; Hacker, William C.; An, Jiadi; Ren, Jianlan; Elcock, Adrian H.

2017-01-01

There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparameterize simulation force fields. Here we have investigated the ability of five very commonly used force field and water model combinations to reproduce the osmotic coefficients of seven neutral amino acids and five small molecules. The force fields tested include AMBER ff99SB-ILDN, CHARMM36, GROMOS54a7, and OPLS-AA, with the first of these tested in conjunction with the TIP3P and TIP4P-Ew water models. In general, for both the amino acids and the small molecules, the tested force fields produce computed osmotic coefficients that are lower than experiment; this is indicative of excessively favorable solute-solute interactions. The sole exception to this general trend is provided by GROMOS54a7 when applied to amino acids: in this case, the computed osmotic coefficients are consistently too high. Importantly, we show that all of the force fields tested can be made to accurately reproduce the experimental osmotic coefficients of the amino acids when minor modifications – some previously reported by others and some that are new to this study – are made to the van der Waals interactions of the charged terminal groups. Special care is required, however, when simulating Proline with a number of the force fields, and a hydroxyl-group specific modification is required in order to correct Serine and Threonine when simulated with AMBER ff99SB-ILDN. Interestingly, an alternative parameterization of the van der Waals interactions in the latter force field, proposed by the Nerenberg and Head-Gordon groups, is shown to immediately produce osmotic coefficients that are in excellent agreement with experiment. Overall, this study reinforces the idea that osmotic coefficient measurements can be used to identify general shortcomings in commonly used force fields’ descriptions of solute-solute interactions, and further demonstrates that modifications to van der Waals parameters provides a simple route to optimizing agreement with experiment. PMID:28296391

Attenuation characteristics of the fundamental modes that propagate in buried iron water pipes.

PubMed

Long, R; Lowe, M; Cawley, P

2003-09-01

The attenuation of the fundamental non-torsional modes that propagate down buried iron water pipes has been studied. The mode shapes, mode attenuation due to leakage into the surrounding medium and the scattering of the modes as they interact with pipe joints and fittings have been investigated. In the low frequency region the mode predicted to dominate over significant propagation distances approximates a plane wave in the water within the pipe. The established acoustic technique used to locate leaks in buried iron water pipes assumes that leak noise propagates as a single non-dispersive mode at a velocity related to the low frequency asymptote of this water borne mode. Experiments have been conducted on buried water mains at test sites in the UK to verify the attenuation and velocity dispersion predictions.

Initial operation of a solar heating and cooling system in a full-scale solar building test facility

NASA Technical Reports Server (NTRS)

Knoll, R. H.; Miao, D.; Hamlet, I. L.; Jensen, R. N.

1976-01-01

The Solar Building Test Facility (SBTF) located at Hampton, Virginia became operational in early summer of 1976. This facility is a joint effort by NASA-Lewis and NASA-Langley to advance the technology for heating and cooling of office buildings with solar energy. Its purposes are to (1) test system components which include high-performing collectors, (2) test performance of complete solar heating and cooling system, (3) investigate component interactions and (4) investigate durability, maintenance and reliability of components. The SBTF consists of a 50,000 square foot office building modified to accept solar heated water for operation of an absorption air conditioner and for the baseboard heating system. A 12,666 square foot solar collector field with a 30,000 gallon storage tank provides the solar heated water. A description of the system and the collectors selected is given here, along with the objectives, test approach, expected system performance and some preliminary results.

CFD Simulations of the IHF Arc-Jet Flow: Compression-Pad Separation Bolt Wedge Tests

NASA Technical Reports Server (NTRS)

Gokcen, Tahir; Skokova, Kristina A.

2017-01-01

This paper reports computational analyses in support of two wedge tests in a high enthalpy arc-jet facility at NASA Ames Research Center. These tests were conducted using two different wedge models, each placed in a free jet downstream of a corresponding different conical nozzle in the Ames 60-MW Interaction Heating Facility. Each panel test article included a metallic separation bolt imbedded in Orion compression-pad and heatshield materials, resulting in a circular protuberance over a flat plate. The protuberances produce complex model flowfields, containing shock-shock and shock-boundary layer interactions, and multiple augmented heating regions on the test plate. As part of the test calibration runs, surface pressure and heat flux measurements on water-cooled calibration plates integrated with the wedge models were also obtained. Surface heating distributions on the test articles as well as arc-jet test environment parameters for each test configuration are obtained through computational fluid dynamics simulations, consistent with the facility and calibration measurements. The present analysis comprises simulations of the non-equilibrium flow field in the facility nozzle, test box, and flow field over test articles, and comparisons with the measured calibration data.

CFD Simulations of the IHF Arc-Jet Flow: Compression-Pad/Separation Bolt Wedge Tests

NASA Technical Reports Server (NTRS)

Goekcen, Tahir; Skokova, Kristina A.

2017-01-01

This paper reports computational analyses in support of two wedge tests in a high enthalpy arc-jet facility at NASA Ames Research Center. These tests were conducted using two different wedge models, each placed in a free jet downstream of a corresponding different conical nozzle in the Ames 60-MW Interaction Heating Facility. Each panel test article included a metallic separation bolt imbedded in Orion compression-pad and heatshield materials, resulting in a circular protuberance over a flat plate. The protuberances produce complex model flowfields, containing shock-shock and shock-boundary layer interactions, and multiple augmented heating regions on the test plate. As part of the test calibration runs, surface pressure and heat flux measurements on water-cooled calibration plates integrated with the wedge models were also obtained. Surface heating distributions on the test articles as well as arc-jet test environment parameters for each test configuration are obtained through computational fluid dynamics simulations, consistent with the facility and calibration measurements. The present analysis comprises simulations of the nonequilibrium flowfield in the facility nozzle, test box, and flowfield over test articles, and comparisons with the measured calibration data.

Response of microbial growth to orthophosphate and organic carbon influx in copper and plastic based plumbing water systems.

PubMed

Park, Se-Keun; Kim, Yeong-Kwan; Choi, Sung-Chan

2008-07-01

Consequences of orthophosphate addition for corrosion control in water distribution pipes with respect to microbial growth were investigated using batch and dynamic tests. Batch tests showed that the release of copper in either low or high organic carbon content water was decreased by 69% and 56% with addition 206 microg PO(4)-P, respectively. Dosing of orthophosphate against corrosion did not increase microbial growth potential in the water and in the biofilm in both corroded and uncorroded systems receiving tap water with a low content of organic carbon and of biodegradable organic fraction. However, in tap water having a high concentration of organic carbon from acetate addition, orthophosphate addition promoted the growth of bacteria, allowed more bacteria to assemble on corroded and uncorroded surfaces, and increased the consumption of organic carbon. Orthophosphate consumption did not exceed 1% of the amount of easily biodegradable organic carbon required for microbial growth, and the orthophosphate demand for corrosion control greatly exceeded the nutritional requirement of microbial growth. The results of the dynamic tests demonstrated that there was a significant effect of interaction between biodegradable organic carbon and orthophosphate on biofilm growth, whereby the effect of orthophosphate flux on microbial growth was dependent on the levels of biodegradable organic carbon. Controlling an easily biodegradable organic carbon would be therefore necessary to minimize the microbial growth potential induced by orthophosphate-based anticorrosion treatment.

Interactions of flavoured oil in-water emulsions with polylactide.

PubMed

Salazar, Rómulo; Domenek, Sandra; Ducruet, Violette

2014-04-01

Polylactide (PLA), a biobased polymer, might prove suitable as eco-friendly packaging, if it proves efficient at maintaining food quality. To assess interactions between PLA and food, an oïl in-water model emulsion was formulated containing aroma compounds representing different chemical structure classes (ethyl esters, 2-nonanone, benzaldehyde) at a concentration typically found in foodstuff (100 ppm). To study non-equilibrium effects during food shelf life, the emulsions were stored in a PLA pack (tray and lid). To assess equilibrium effects, PLA was conditioned in vapour contact with the aroma compounds at concentrations comparable to headspace conditions of real foods. PLA/emulsion interactions showed minor oil and aroma compound sorption in the packaging. Among tested aroma compounds, benzaldehyde and ethyl acetate were most sorbed and preferentially into the lid through the emulsion headspace. Equilibrium effects showed synergy of ethyl acetate and benzaldehyde, favouring sorption of additional aroma compounds in PLA. This should be anticipated during the formulation of food products. Copyright © 2013 Elsevier Ltd. All rights reserved.

Description and field analysis of a coupled ground-water/surface-water flow model (MODFLOW/BRANCH) with modifications for structures and wetlands in southern Dade County, Florida

USGS Publications Warehouse

Swain, E.D.; Howie, Barbara; Dixon, Joann

1996-01-01

A coupled surface-water model (BRANCH) and ground-water model (MODFLOW) model were tested to simulate the interacting wetlands/surface-water/ ground-water system of southern Dade County. Several options created for the MODFLOW ground- ground-water model were used in representing this field situation. The primary option is the MODBRANCH interfacing software, which allows leakage to be accounted for between the MODFLOW ground-water model and the BRANCH dynamic model for simulation of flow in an interconnected network of open channels. A modification to an existing software routine, which is referred to as BCF2, allows cells in MODFLOW to rewet when dry--a requirement in representing the seasonal wetlands in Dade County. A companion to BCF2 is the modified evapotranspiration routine EVT2. The EVT2 routine changes the cells where evapotranspiration occurs, depending on which cells are wet. The Streamlink package represents direct connections between the canals and wetlands at locations where canals open directly into overland flow. Within the BRANCH model, the capability to represent the numerous hydraulic structures, gated spillways, gated culverts, and pumps was added. The application of these modifications to model surface-water/ground-water interactions in southern Dade County demonstrated the usefulness of the coupled MODFLOW/BRANCH model. Ground-water and surface-water flows are both simulated with dynamic models. Flow exchange between models, intermittent wetting and drying, evapotranspiration, and hydraulic structure operations are all represented appropriately. Comparison was made with a simulation using the RIV1 package instead of MODBRANCH to represent the canals. RIV1 represents the canals by user-defined stages, and computes leakage to the aquifer. Greater accuracy in reproducing measured ground- water heads was achieved with MODBRANCH, which also computes dynamic flow conditions in the canals, unlike RIV1. The surface-water integrated flow and transport two-dimensional model (SWIFT2D) was also applied to the southeastern coastal wetlands for comparison with the wetlands flow approximation made in MODFLOW. MODFLOW simulates the wetlands as a highly conductive upper layer of the aquifer, whereas SWIFT2D solves the hydrodynamic equations. Comparison in this limited test demonstrated no specific advantage for either method of representation. However, much additional testing on a wider variety of geometric and hydraulic situations, such as in areas with greater tidal or other dynamic forcing effects, is needed to make definite conclusions. A submodel of the existing southern Dade County model schematization was used to examine water-delivery alternatives proposed by the U.S. Army Corps of Engineers. For this application, the coupled MODFLOW/BRANCH model was used as a design tool. A new canal and several pumps to be tested to maintain lower water levels in a residential area (while water levels in the Everglades are raised) were added to the model schematization. The pumps were assumed to have infinite supply capacity in the model so that their maximum pumping rates during the simulation could be used to determine pump sizes.

Simple Physics-Based Analytical Formulas for the Potentials of Mean Force of the Interaction of Amino Acid Side Chains in Water. VII. Charged-Hydrophobic/Polar and Polar-Hydrophobic/Polar Side Chains.

PubMed

Makowski, Mariusz; Liwo, Adam; Scheraga, Harold A

2017-01-19

The physics-based potentials of side-chain-side-chain interactions corresponding to pairs composed of charged and polar, polar and polar, charged and hydrophobic, and hydrophobic and hydrophobic side chains have been determined. A total of 144 four-dimensional potentials of mean force (PMFs) of all possible pairs of molecules modeling these pairs were determined by umbrella-sampling molecular dynamics simulations in explicit water as functions of distance and orientation, and the analytical expressions were then fitted to the PMFs. Depending on the type of interacting sites, the analytical approximation to the PMF is a sum of terms corresponding to van der Waals interactions and cavity-creation involving the nonpolar sections of the side chains and van der Waals, cavity-creation, and electrostatic (charge-dipole or dipole-dipole) interaction energies and polarization energies involving the charged or polar sections of the side chains. The model used in this work reproduces all features of the interacting pairs. The UNited RESidue force field with the new side-chain-side-chain interaction potentials was preliminarily tested with the N-terminal part of the B-domain of staphylococcal protein A (PDBL 1BDD ; a three-α-helix bundle) and UPF0291 protein YnzC from Bacillus subtilis (PDB: 2HEP ; an α-helical hairpin).

A Mesoscale Total Dissolved Solids Quantity and Quality Study Integrating Responses of Multiple Biological Components in Small Stream Communities

EPA Science Inventory

A 42-day dosing test with ions comprising an excess TDS was run using mesocosms colonized with natural stream water fed continuously. In gridded gravel beds biota from microbes through macroinvertebrates are measured and interact in a manner realistic of stream riffle/run ecology...

Morphological and mechanical properties of blades of Saccharina latissima

NASA Astrophysics Data System (ADS)

Vettori, Davide; Nikora, Vladimir

2017-09-01

Interactions between water flow and aquatic vegetation strongly depend on morphological and biomechanical characteristics of vegetation. Although any physical or numerical model that aims to replicate flow-vegetation interactions requires these characteristics, information on morphology and mechanics of vegetation living in coastal waters remains insufficient. The present study investigates the mechanical properties of blades of Saccharina latissima, a seaweed species spread along the shores of the UK and North East Atlantic. More than 50 seaweed samples with lengths spanning from 150 mm to 650 mm were collected from Loch Fyne (Scotland) and tested. Seaweed blades had a natural 'stretched droplet' shape with bullations in the central fascia and ruffled edges in the area close to the stipe. Their morphological features showed high variability for samples longer than 400 mm. The blades were almost neutrally buoyant, their material was found to be very flexible and ductile, being stiffer in longer blades. The laboratory tests showed that estimates of tensile Young's modulus appeared to be similar to bending Young's modulus suggesting a reasonable degree of isotropy in studied seaweed tissues.

Moringa oleifera leaf extracts inhibit 6beta-hydroxylation of testosterone by CYP3A4.

PubMed

Monera, Tsitsi G; Wolfe, Alan R; Maponga, Charles C; Benet, Leslie Z; Guglielmo, Joseph

2008-10-01

Moringa oleifera is a tropical tree often used as a herbal medicine, including by people who test positive for HIV. Since herbal constituents may interact with drugs via inhibition of metabolizing enzymes, we investigated the effects of extracts of M. oleifera on the CYP3A4-mediated 6beta-hydroxylation of testosterone. Methanolic and aqueous leaf and root of extracts of M. oleifera with concentrations between 0.01 and 10 mg/ml were incubated with testosterone and mixed-sex human liver microsomes in the presence of NADPH. Metabolite concentrations were determined by HPLC. The cytotoxicity of the extracts was tested with HepG2 cells using the MTT formazan assay. Significant CYP3A4 inhibitory effects were found, with IC50 values of 0.5 and 2.5 mg/ml for leaf-methanol and leaf-water extracts, respectively. Root extracts were less active. Cytotoxicity was observed only with the leaf-water extract (IC50 = 6 mg/ml). Further investigation is warranted to elucidate the potential of M. oleifera for clinically significant interactions with antiretroviral and other drugs.

Role of co-occurring competition and facilitation in plant spacing hydrodynamics in water-limited environments

PubMed Central

2017-01-01

Plant performance (i.e., fecundity, growth, survival) depends on an individual’s access to space and resources. At the community level, plant performance is reflected in observable vegetation patterning (i.e., spacing distance, density) often controlled by limiting resources. Resource availability is, in turn, strongly dependent on plant patterning mediated by competitive and facilitative plant–plant interactions. Co-occurring competition and facilitation has never been specifically investigated from a hydrodynamic perspective. To address this knowledge gap, and to overcome limitations of field studies, three intermediate-scale laboratory experiments were conducted using a climate-controlled wind tunnel–porous media test facility to simulate the soil–plant–atmosphere continuum. The spacing between two synthetic plants, a design consideration introduced by the authors in a recent publication, was varied between experiments; edaphic and mean atmospheric conditions were held constant. The strength of the above- and belowground plant–plant interactions changed with spacing distance, allowing the creation of a hydrodynamic conceptual model based on established ecological theories. Greatest soil water loss was observed for the experiment with the smallest spacing where competition dominated. Facilitation dominated at the intermediate spacing; little to no interactions were observed for the largest plant spacing. Results suggest that there exists an optimal spacing distance range that lowers plant environmental stress, thus improving plant performance through reduced atmospheric demand and conservation of available soil water. These findings may provide a foundation for improving our understanding of many climatological, ecohydrological, and hydrological problems pertaining to the hydrodynamics of water-limited environments where plant–plant interactions and community self-organization are important. PMID:28807999

Role of co-occurring competition and facilitation in plant spacing hydrodynamics in water-limited environments.

PubMed

Trautz, Andrew C; Illangasekare, Tissa H; Rodriguez-Iturbe, Ignacio

2017-08-29

Plant performance (i.e., fecundity, growth, survival) depends on an individual's access to space and resources. At the community level, plant performance is reflected in observable vegetation patterning (i.e., spacing distance, density) often controlled by limiting resources. Resource availability is, in turn, strongly dependent on plant patterning mediated by competitive and facilitative plant-plant interactions. Co-occurring competition and facilitation has never been specifically investigated from a hydrodynamic perspective. To address this knowledge gap, and to overcome limitations of field studies, three intermediate-scale laboratory experiments were conducted using a climate-controlled wind tunnel-porous media test facility to simulate the soil-plant-atmosphere continuum. The spacing between two synthetic plants, a design consideration introduced by the authors in a recent publication, was varied between experiments; edaphic and mean atmospheric conditions were held constant. The strength of the above- and belowground plant-plant interactions changed with spacing distance, allowing the creation of a hydrodynamic conceptual model based on established ecological theories. Greatest soil water loss was observed for the experiment with the smallest spacing where competition dominated. Facilitation dominated at the intermediate spacing; little to no interactions were observed for the largest plant spacing. Results suggest that there exists an optimal spacing distance range that lowers plant environmental stress, thus improving plant performance through reduced atmospheric demand and conservation of available soil water. These findings may provide a foundation for improving our understanding of many climatological, ecohydrological, and hydrological problems pertaining to the hydrodynamics of water-limited environments where plant-plant interactions and community self-organization are important.

Factors affecting the formation of eutectic solid dispersions and their dissolution behavior.

PubMed

Vippagunta, Sudha R; Wang, Zeren; Hornung, Stefanie; Krill, Steven L

2007-02-01

The objective of this work was to obtain a fundamental understanding of the factors, specifically the properties of poorly water-soluble drugs and water-soluble carriers, which influence predominantly, the formation of eutectic or monotectic crystalline solid dispersion and their dissolution behavior. A theoretical model was applied on five poorly water-soluble drugs (fenofibrate, flurbiprofen, griseofulvin, naproxen, and ibuprofen) having diverse physicochemical properties and water-soluble carrier (polyethylene glycol (PEG) 8000) for the evaluation of these factors. Of these, two drugs, fenofibrate and flurbiprofen, and PEG of different molecular weights (3350, 8000, and 20000), were chosen as model drugs and carriers for further investigation. Experimental phase diagrams were constructed and dissolution testing was performed to assess the performance of the systems. The theoretical model predicted the formation of eutectic or monotectic solid dispersions of fenofibrate, griseofulvin, ibuprofen, and naproxen with PEG, holding the contribution of specific intermolecular interactions between compound and carrier to zero. In the case of the flurbiprofen-PEG eutectic system, intermolecular interactions between drug and polymer needed to be taken into consideration to predict the experimental phase diagram. The results of the current work suggest that the thermodynamic function of melting point and heat of fusion (as a measure of crystal energy of drug) plays a significant role in the formation of a eutectic system. Lipophilicity of the compound (as represented by cLog P) was also demonstrated to have an effect. Specific interactions between drug and carrier play a significant role in influencing the eutectic composition. Molar volume of the drug did not seem to have an impact on eutectic formation. The polymer molecular weight appeared to have an impact on the eutectic composition for flurbiprofen, which exhibits specific interactions with PEG, whereas no such impact of polymer molecular weight on eutectic composition was observed for fenofibrate, which does not exhibit specific interactions with PEG. The impact of polymer molecular weight on dissolution of systems where specific drug-polymer interactions are exhibited was also observed. The current work provides valuable insight into factors affecting formation and dissolution of eutectic systems, which can facilitate the rational selection of suitable water-soluble carriers. Copyright (c) 2006 Wiley-Liss, Inc.

Theoretical and experimental studies of water interaction in acetate based ionic liquids.

PubMed

Shi, Wei; Damodaran, Krishnan; Nulwala, Hunaid B; Luebke, David R

2012-12-05

Water interactions in 1-ethyl-3-methylimidazolium acetate ([emim][CH(3)COO]) were studied utilizing classical and ab initio simulation methods. The self-diffusivities for water and the ionic liquid (IL) were studied experimentally using pulse field gradient NMR spectroscopy and correlated with computational results. Water forms hydrogen bonding networks with the ionic liquid, and depending on the concentration of water, there are profound effects on the self-diffusivities of the various species. Both simulation and experiments show that the self-diffusivities for species in the water-[emim][CH(3)COO] system exhibit minima at 40-50 mol% water. Water interaction with the [CH(3)COO](-) anion predominates over the water-water and water-cation interactions at most water concentrations. Simulations further indicate that decreasing water-[CH(3)COO](-) interaction will increase the IL and water self-diffusivities. Self-diffusivities in the water-IL systems are dependent upon the cation in a complex way. Water interactions with [P(4444)][CH(3)COO] are reduced compared to [emim][CH(3)COO]. The [P(4444)](+) cation is bulkier than the [emim](+) cation and has a smaller self-diffusivity, but when water was introduced to [P(4444)] [CH(3)COO], the water-[CH(3)COO](-) hydrogen bonding network in the [P(4444)][CH(3)COO] was much smaller than the one observed in [emim][CH(3)COO].

Adaptive iterative design (AID): a novel approach for evaluating the interactive effects of multiple stressors on aquatic organisms.

PubMed

Glaholt, Stephen P; Chen, Celia Y; Demidenko, Eugene; Bugge, Deenie M; Folt, Carol L; Shaw, Joseph R

2012-08-15

The study of stressor interactions by eco-toxicologists using nonlinear response variables is limited by required amounts of a priori knowledge, complexity of experimental designs, the use of linear models, and the lack of use of optimal designs of nonlinear models to characterize complex interactions. Therefore, we developed AID, an adaptive-iterative design for eco-toxicologist to more accurately and efficiently examine complex multiple stressor interactions. AID incorporates the power of the general linear model and A-optimal criteria with an iterative process that: 1) minimizes the required amount of a priori knowledge, 2) simplifies the experimental design, and 3) quantifies both individual and interactive effects. Once a stable model is determined, the best fit model is identified and the direction and magnitude of stressors, individually and all combinations (including complex interactions) are quantified. To validate AID, we selected five commonly co-occurring components of polluted aquatic systems, three metal stressors (Cd, Zn, As) and two water chemistry parameters (pH, hardness) to be tested using standard acute toxicity tests in which Daphnia mortality is the (nonlinear) response variable. We found after the initial data input of experimental data, although literature values (e.g. EC-values) may also be used, and after only two iterations of AID, our dose response model was stable. The model ln(Cd)*ln(Zn) was determined the best predictor of Daphnia mortality response to the combined effects of Cd, Zn, As, pH, and hardness. This model was then used to accurately identify and quantify the strength of both greater- (e.g. As*Cd) and less-than additive interactions (e.g. Cd*Zn). Interestingly, our study found only binary interactions significant, not higher order interactions. We conclude that AID is more efficient and effective at assessing multiple stressor interactions than current methods. Other applications, including life-history endpoints commonly used by regulators, could benefit from AID's efficiency in assessing water quality criteria. Copyright © 2012 Elsevier B.V. All rights reserved.

Enhancement of Thermodynamic Gas-Phase Acidity and Basicity of Water by Means of Secondary Interactions.

PubMed

Montero-Campillo, M Merced; Alkorta, Ibon; Elguero, Jose

2018-06-26

A series of A···water, B···water complexes (A = acid, B =base) are studied at the G4 level of theory to show that water acidity or basicity can be modulated by non-covalent interactions. Protic and non-protic acids interacting with water form hydrogen bonds or other kind of non-covalent interactions, respectively, that may dramatically change the acidity of water up to almost 360 kJ·mol-1 in terms of enthalpy. Similarly, hydrogen bonds responsible for the interaction between typical small nitrogen-containing Lewis bases and water can enhance the proton affinity of water by almost 300 kJ·mol-1. Our results reveal that these large enhancements are linearly related with the binding energy of the charged complexes, and are determined by the Lewis acid-base properties of the molecule involved in the interaction, allowing a quite precise modulation of the corresponding acid-base properties of water. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of complex pumping interactions during an aquifer test conducted at a well field in the coastal plain near Augusta, Georgia, October 2009

USGS Publications Warehouse

Gonthier, Gerald J.

2009-01-01

A 24-hour aquifer test was conducted in Well Field 2 near Augusta, Georgia, October 21–22, 2009, to characterize the hydraulic properties of the Midville aquifer system. The selected well was pumped at a rate of 684 gallons per minute. At the initiation of aquifer-test pumping, water levels in each of eight wells monitored for the test were still recovering from the well-field production. Because water levels had not stabilized, data analyses were needed to account for the ongoing recovery. Hydraulic properties of the Midville aquifer system were estimated by an approach based on the Theis model and superposition. The Midville aquifer system was modeled as a Theis aquifer. The principle of superposition was used to sum the effects of multiple pumping and recovery events from a single pumped well and to sum the effects of all pumped wells as the estimated total drawdown at a monitored well. Simulated drawdown at each monitored well was determined by using a spreadsheet (SUMTheis) function of aquifer transmissivity and storativity. Simulated drawdown values were transformed into simulated water levels, accounting for longterm water-level trends. The transmissivity and storativity values that were used to calibrate the simulated water levels to measured water levels (roughly 4,000 square feet per day and 2E-04, respectively) provide estimates of the transmissivity and storativity of the Midville aquifer system in the vicinity of Well Field 2. The approach used in this study can be applied to similar well-field tests in which incomplete drawdown recovery or other known pumping is evident.

Influence of exchange group of modified glycidyl methacrylate polymer on phenol removal: A study by batch and continuous flow processes.

PubMed

Aversa, Thiago Muza; da Silva, Carla Michele Frota; da Rocha, Paulo Cristiano Silva; Lucas, Elizabete Fernandes

2016-11-01

Contamination of water by phenol is potentially a serious problem due to its high toxicity and its acid character. In this way some treatment process to remove or reduce the phenol concentration before contaminated water disposal on the environment is required. Currently, phenol can be removed by charcoal adsorption, but this process does not allow easy regeneration of the adsorbent. In contrast, polymeric resins are easily regenerated and can be reused in others cycles of adsorption process. In this work, the interaction of phenol with two polymeric resins was investigated, one of them containing a weakly basic anionic exchange group (GD-DEA) and the other, a strongly basic group (GD-QUAT). Both ion exchange resins were obtained through chemical modifications from a base porous resin composed of glycidyl methacrylate (GMA) and divinyl benzene (DVB). Evaluation tests with resins were carried out with 30 mg/L of phenol in water solution, at pH 6 and 10, employing two distinct processes: (i) batch, to evaluate the effect of temperature, and (ii) continuous flow, to assess the breakthrough of the resins. Batch tests revealed that the systems did not follow the model proposed by Langmuir due to the negative values obtained for the constant b and for the maximum adsorption capacity, Q0. However, satisfactory results for the constants KF and n allowed assuming that the behavior of systems followed the Freundlich model, leading to the conclusion that resin GD-DEA had the best interaction with the phenol when in a solution having pH 10 (phenoxide ions). The continuous flow tests corroborated this conclusion since the performance of GD-DEA in removing phenol was also best at pH 10, indicating that the greater availability of the electron pair in the resin with the weakly basic donor group contributed to enhance the resin's interaction with the phenoxide ions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ion specific effects: decoupling ion-ion and ion-water interactions

PubMed Central

Song, Jinsuk; Kang, Tae Hui; Kim, Mahn Won; Han, Songi

2015-01-01

Ion-specific effects in aqueous solution, known as the Hofmeister effect is prevalent in diverse systems ranging from pure ionic to complex protein solutions. The objective of this paper is to explicitly demonstrate how complex ion-ion and ion-water interactions manifest themselves in the Hofmeister effects, based on a series of recent experimental observation. These effects are not considered in the classical description of ion effects, such as the Deryaguin-Landau-Verwey-Overbeek (DLVO) theory that, likely for that reason, fail to describe the origin of the phenomenological Hofmeister effect. However, given that models considering the basic forces of electrostatic and van der Waals interactions can offer rationalization for the core experimental observations, a universal interaction model stands a chance to be developed. In this perspective, we separately derive the contribution from ion-ion electrostatic interaction and ion-water interaction from second harmonic generation (SHG) data at the air-ion solution interface, which yields an estimate of ion-water interactions in solution. Hofmeister ion effects observed on biological solutes in solution should be similarly influenced by contributions from ion-ion and ion-water interactions, where the same ion-water interaction parameters derived from SHG data at the air-ion solution interface could be applicable. A key experimental data set available from solution systems to probe ion-water interaction is the modulation of water diffusion dynamics near ions in bulk ion solution, as well as near biological liposome surfaces. It is obtained from Overhauser dynamic nuclear polarization (ODNP), a nuclear magnetic resonance (NMR) relaxometry technique. The surface water diffusivity is influenced by the contribution from ion-water interactions, both from localized surface charges and adsorbed ions, although the relative contribution of the former is larger on liposome surfaces. In this perspective, ion-water interaction energy values derived from experimental data for various ions are compared with theoretical values in the literature. Ultimately, quantifying ion-induced changes in surface energy for the purpose of developing valid theoretical models for ion-water interaction, will be critical to rationalizing the Hofmeister effect. PMID:25761273

A method to assess how interactive water simulation tools influence transdisciplinary decision-making processes in water management

NASA Astrophysics Data System (ADS)

Leskens, Johannes

2015-04-01

In modern water management, often transdisciplinary work sessions are organized in which various stakeholders participate to jointly define problems, choose measures and divide responsibilities to take actions. Involved stakeholders are for example policy analysts or decision-makers from municipalities, water boards or provinces, representatives of pressure groups and researchers from knowledge institutes. Parallel to this increasing attention for transdisciplinary work sessions, we see a growing availability of interactive IT-tools that can be applied during these sessions. For example, dynamic flood risk maps have become recently available that allow users during a work sessions to instantaneously assess the impact of storm surges or dam breaches, displayed on digital maps. Other examples are serious games, realistic visualizations and participatory simulations. However, the question is if and how these interactive IT-tools contribute to better decision-making. To assess this, we take the process of knowledge construction during a work session as a measure for the quality of decision-making. Knowledge construction can be defined as the process in which ideas, perspectives and opinions of different stakeholders, all having their own expertise and experience, are confronted with each other and new shared meanings towards water management issues are created. We present an assessment method to monitor the process of knowledge construction during work sessions in water management in which interactive IT tools are being used. The assessment method is based on a literature review, focusing on studies in which knowledge construction was monitored in other contexts that water management. To test the applicability of the assessment method, we applied it during a multi-stakeholder work session in Westland, located in the southwest of the Netherlands. The discussions during the work session were observed by camera. All statements, expressed by the various members of a stakeholder session, were classified according to our assessment method. We can draw the following preliminary conclusions. First, the case study showed that the method was useful to show the knowledge construction process over time, in terms of content and cognitive level of statements and interaction, attention and response between stakeholders. It was observed that the various aspects of knowledge construction all were influenced by the use of the 3Di model. The model focused discussions on technical issues of flood risk management, non-flood specialists were able to participate in discussions and in suggesting solutions and more topics could be evaluated in respect to non-interactive flood maps. Second, the method is considered useful as a benchmark for different interactive IT tools. The method is also considered useful to gain insight in how to optimally set-up multi-stakeholder meetings in which interactive IT-tools are being used. Further, the method can provide model developers insight in how to better meet the technical requirements of interactive IT tools to support the knowledge construction process during multi-stakeholder meeting

Coffee inhibition of CYP3A4 in vitro was not translated to a grapefruit-like pharmacokinetic interaction clinically.

PubMed

Dresser, George K; Urquhart, Brad L; Proniuk, Julianne; Tieu, Alvin; Freeman, David J; Arnold, John Malcolm; Bailey, David G

2017-10-01

Grapefruit can augment oral medication bioavailability through irreversible (mechanism-based) inhibition of intestinal CYP3A4. Supplementary data from our recent coffee-drug interaction clinical study showed some subjects had higher area under the plasma drug concentration - time curve (AUC) and plasma peak drug concentration (Cmax) of the CYP3A4 probe felodipine compared to aqueous control. It was hypothesized that coffee might interact like grapefruit in responsive individuals. Beans from six geographical locations were consistently brewed into coffee that was separated chromatographically to a methanolic fraction for in vitro inhibition testing of CYP3A4 metabolism of felodipine at 1% coffee strength. The effect of simultaneous incubation and 10-min preincubation with coffee fractions determined whether coffee had direct and mechanism-based inhibitory activity. A subsequent five-way randomized balanced controlled crossover clinical study evaluated the clinical pharmacokinetic interaction with single-dose felodipine. Grapefruit juice, water, or three of the in vitro tested coffees were ingested at 300 mL alone 1 h before and then with felodipine. In vitro, all six coffees decreased felodipine metabolism for both simultaneous and preincubation exposure compared to corresponding control. Five coffees demonstrated mechanism-based inhibition. Grapefruit increased felodipine AUC 0-8 (25 vs. 13 ng.h/mL, P < 0.001) and Cmax (5.8 vs. 2.7 ng/mL, P < 0.001) and decreased dehydrofelodipine/felodipine AUC 0-8 ratio (0.84 vs. 1.29, P < 0.001), while the three coffees caused no change in these parameters compared to water. Despite high in vitro potency of CYP3A4 inhibition, the coffees did not cause a clinical pharmacokinetic interaction possibly from insufficient amount of inhibitor(s) in coffee reaching intestinal CYP3A4 during the absorption phase of felodipine. The results of this study highlight the need for follow-up clinical testing when in vitro results indicate the possibility of an interaction. © 2017 The Authors. Pharmacology Research & Perspectives published by John Wiley & Sons Ltd, British Pharmacological Society and American Society for Pharmacology and Experimental Therapeutics.

Computer Interactives for the Mars Atmospheric and Volatile Evolution (MAVEN) Mission through NASA's "Project Spectra!"

NASA Astrophysics Data System (ADS)

Wood, E. L.

2014-12-01

"Project Spectra!" is a standards-based E-M spectrum and engineering program that includes paper and pencil activities as well as Flash-based computer games that help students solidify understanding of high-level planetary and solar physics. Using computer interactive games, students experience and manipulate information making abstract concepts accessible, solidifying understanding and enhancing retention of knowledge. Since students can choose what to watch and explore, the interactives accommodate a broad range of learning styles. Students can go back and forth through the interactives if they've missed a concept or wish to view something again. In the end, students are asked critical thinking questions and conduct web-based research. As part of the Mars Atmospheric and Volatile EvolutioN (MAVEN) mission education programming, we've developed two new interactives. The MAVEN mission will study volatiles in the upper atmosphere to help piece together Mars' climate history. In the first interactive, students explore black body radiation, albedo, and a simplified greenhouse effect to establish what factors contribute to overall planetary temperature. Students design a planet that is able to maintain liquid water on the surface. In the second interactive, students are asked to consider conditions needed for Mars to support water on the surface, keeping some variables fixed. Ideally, students will walk away with the very basic and critical elements required for climate studies, which has far-reaching implications beyond the study of Mars. These interactives were pilot tested at Arvada High School in Colorado.

A Laboratory Study of Natural Zeolite for Treatment of Fluorinated Water

NASA Astrophysics Data System (ADS)

Pandey, A.

2015-12-01

Fluoride contamination is mainly induced in ground water by chemical interaction between water and fluoride bearing rocks and natural fluoridation is further catalyzed by anthropogenic activities. Elevated fluoride concentrations in the water bodies above the permissible limits are not only degrading water for drinking purposes but also to the agricultural, industrial as well as daily household needs. Fluoride content in water has been constantly a subject of serious concern to the concerned authorities. It is significantly contributing in increasing tolls of arthritis, brain and kidney diseases, cancer, male fertility issues and cases of thyroid diseases. Hence, the present study has been conducted to investigate the possibility of treating fluorinated water using zeolites. The capabilities of natural zeolites are attributed to their catalytic, molecular sieve, adsorption and ion-exchange properties which have been utilized in our laboratory experiment. The experiment was carried out in two phases. In the first phase of the experiment, the properties of zeolites were tested in solid and liquid phases using ICP-OES, SEM, EDX and IC tests. Physio-chemical alterations induced by zeolites in the fluid chemistry were monitored by analyzing fluid sample regularly for pH, redox potential, electrical conductivity and total dissolved solids, and by conducting metal and anion tests. In second phase, zeolite was used for treatment of fluorinated water with known concentration of fluoride, and the geochemical processes associated with fluoride remediation were monitored by conducting non-invasive, invasive geochemical and physical measurements at regular time periods on the water samples collected from both control column and the experiment column. Results thus obtained in this study showed decrease in fluoride concentration over time, indicating the possibility of use of zeolites in treatment of fluorinated water.

Water's Interfacial Hydrogen Bonding Structure Reveals the Effective Strength of Surface-Water Interactions.

PubMed

Shin, Sucheol; Willard, Adam P

2018-06-05

We combine all-atom molecular dynamics simulations with a mean field model of interfacial hydrogen bonding to analyze the effect of surface-water interactions on the structural and energetic properties of the liquid water interface. We show that the molecular structure of water at a weakly interacting ( i.e., hydrophobic) surface is resistant to change unless the strength of surface-water interactions are above a certain threshold. We find that below this threshold water's interfacial structure is homogeneous and insensitive to the details of the disordered surface, however, above this threshold water's interfacial structure is heterogeneous. Despite this heterogeneity, we demonstrate that the equilibrium distribution of molecular orientations can be used to quantify the energetic component of the surface-water interactions that contribute specifically to modifying the interfacial hydrogen bonding network. We identify this specific energetic component as a new measure of hydrophilicity, which we refer to as the intrinsic hydropathy.

Density functional theory and molecular dynamics study of the uranyl ion (UO₂)²⁺.

PubMed

Rodríguez-Jeangros, Nicolás; Seminario, Jorge M

2014-03-01

The detection of uranium is very important, especially in water and, more importantly, in the form of uranyl ion (UO₂)²⁺, which is one of its most abundant moieties. Here, we report analyses and simulations of uranyl in water using ab initio modified force fields for water with improved parameters and charges of uranyl. We use a TIP4P model, which allows us to obtain accurate water properties such as the boiling point and the second and third shells of water molecules in the radial distribution function thanks to a fictitious charge that corrects the 3-point models by reproducing the exact dipole moment of the water molecule. We also introduced non-bonded interaction parameters for the water-uranyl intermolecular force field. Special care was taken in testing the effect of a range of uranyl charges on the structure of uranyl-water complexes. Atomic charges of the solvated ion in water were obtained using density functional theory (DFT) calculations taking into account the presence of nitrate ions in the solution, forming a neutral ensemble. DFT-based force fields were calculated in such a way that water properties, such as the boiling point or the pair distribution function stand. Finally, molecular dynamics simulations of a water box containing uranyl cations and nitrate anions are performed at room temperature. The three peaks in the oxygen-oxygen radial distribution function for water were found to be kept in the presence of uranyl thanks to the improvement of interaction parameters and charges. Also, we found three shells of water molecules surrounding the uranyl ion instead of two as was previously thought.

Soil-plant interaction monitoring: Small scale example of an apple orchard in Trentino, North-Eastern Italy.

PubMed

Cassiani, Giorgio; Boaga, Jacopo; Rossi, Matteo; Putti, Mario; Fadda, Giuseppe; Majone, Bruno; Bellin, Alberto

2016-02-01

Accurate monitoring and modeling of soil-plant systems are a key unresolved issue that currently limits the development of a comprehensive view of the interactions between soil and atmosphere, with a number of practical consequences including the difficulties in predicting climatic change patterns. This paper presents a case study where time-lapse minimal-invasive 3D micro-electrical tomography (ERT) is used to monitor rhizosphere eco-hydrological processes in an apple orchard in the Trentino region, Northern Italy. In particular we aimed at gaining a better understanding of the soil-vegetation water exchanges in the shallow critical zone, as part of a coordinated effort towards predicting climate-induced changes on the hydrology of Mediterranean basins (EU FP7 CLIMB project). The adopted strategy relied upon the installation of a 3D electrical tomography apparatus consisting of four mini-boreholes carrying 12 electrodes each plus 24 mini-electrodes on the ground surface, arranged in order to image roughly a cubic meter of soil surrounding a single apple tree. The monitoring program was initially tested with repeated measurements over about one year. Subsequently, we performed three controlled irrigation tests under different conditions, in order to evaluate the water redistribution under variable root activities and climatic conditions. Laboratory calibration on soil samples allowed us to translate electrical resistivity variations into moisture content changes, supported also by in-situ TDR measurements. Richards equation modeling was used also to explain the monitoring evidence. The results clearly identified the effect of root water uptake and the corresponding subsoil region where active roots are present, but also marked the need to consider the effects of different water salinity in the water infiltration process. We also gained significant insight about the need to measure quantitatively the plant evapotranspiration in order to close the water balance and separate soil structure effects (primarily, hydraulic conductivity) from water dynamics induced by living plants. Copyright © 2015 Elsevier B.V. All rights reserved.

Hydromagmatic and peperitic interactions: A new experimental approach.

NASA Astrophysics Data System (ADS)

Downey, W. S.; Spieler, O.; Kunzmann, T.; Mastin, L.; Dingwell, D. B.; Shaw, C. J.

2007-12-01

Hydromagmatic interactions in general and the formation of peperites in particular, are poorly understood. We have designed and tested a new series of experiments to analyze the formation of fine hydromagmatic basaltic ash, and the processes occurring during magma/wet-sediment interaction. This study evaluates the mechanism of "turbulent shedding", (Mastin, 2007) where fine hydromagmatic ash is produced by the removal of quenched glassy rinds on clast surfaces that are rapidly deforming within turbulent transport. During magma/wet-sediment interactions the rapid heat transfer rate can lead to oscillations in the vapor film, and its possible collapse to generate a vapor explosion, between the two media producing either fluidal or brecciated textures of the silicate. In these experiment 0.5 kg of basaltic melt is generated in an internally heated autoclave at temperatures of up to 1300 (º)C and ejected via gas pressure into a low pressure tank. The autoclave can be pressurized to 50 MPa and is designed to eject the melt directly into water, wet sediments or water spray. The later technique is commonly used by powder metallurgists to produce micron-sized fragments of metallic glass, and is the desired technique to aid in the production of fine-ash via "turbulent shedding". Two molybdenum wound furnaces are used to produce the melt while a third Kanthal-wound furnace is used to control the temperature at the ejection orifice. Six thermocouples are used to control the furnaces and to record the thermal gradient throughout the setup. Pressure transducers in the high and low pressure section record the expansion volume due thermal interaction. The autoclave is separated from the low pressure tank with a diaphragm to prevent water from entering the high temperature zone. The goal of these experiments is to give insight into the role of hydrodynamic process during magma/water interaction and in the generation of peperites. The first experiments have resulted in the formation of Pelee's hairs and tears reflecting the high strain rates accompanying melt ejection. Post-experiment, grain size and surface area analysis of the hydromagmatic clasts is in progress to quantify the thermal interaction area, the influence of the turbulence and the heat transfer rate on magma-water mixing. The sediments will be impregnated with epoxy to yield textural insights for comparison with field descriptions of peperites.

Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

PubMed

Veljković, Dušan Ž

2018-03-01

Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

Theory for the three-dimensional Mercedes-Benz model of water.

PubMed

Bizjak, Alan; Urbic, Tomaz; Vlachy, Vojko; Dill, Ken A

2009-11-21

The two-dimensional Mercedes-Benz (MB) model of water has been widely studied, both by Monte Carlo simulations and by integral equation methods. Here, we study the three-dimensional (3D) MB model. We treat water as spheres that interact through Lennard-Jones potentials and through a tetrahedral Gaussian hydrogen bonding function. As the "right answer," we perform isothermal-isobaric Monte Carlo simulations on the 3D MB model for different pressures and temperatures. The purpose of this work is to develop and test Wertheim's Ornstein-Zernike integral equation and thermodynamic perturbation theories. The two analytical approaches are orders of magnitude more efficient than the Monte Carlo simulations. The ultimate goal is to find statistical mechanical theories that can efficiently predict the properties of orientationally complex molecules, such as water. Also, here, the 3D MB model simply serves as a useful workbench for testing such analytical approaches. For hot water, the analytical theories give accurate agreement with the computer simulations. For cold water, the agreement is not as good. Nevertheless, these approaches are qualitatively consistent with energies, volumes, heat capacities, compressibilities, and thermal expansion coefficients versus temperature and pressure. Such analytical approaches offer a promising route to a better understanding of water and also the aqueous solvation.

Theory for the three-dimensional Mercedes-Benz model of water

PubMed Central

Bizjak, Alan; Urbic, Tomaz; Vlachy, Vojko; Dill, Ken A.

2009-01-01

The two-dimensional Mercedes-Benz (MB) model of water has been widely studied, both by Monte Carlo simulations and by integral equation methods. Here, we study the three-dimensional (3D) MB model. We treat water as spheres that interact through Lennard-Jones potentials and through a tetrahedral Gaussian hydrogen bonding function. As the “right answer,” we perform isothermal-isobaric Monte Carlo simulations on the 3D MB model for different pressures and temperatures. The purpose of this work is to develop and test Wertheim’s Ornstein–Zernike integral equation and thermodynamic perturbation theories. The two analytical approaches are orders of magnitude more efficient than the Monte Carlo simulations. The ultimate goal is to find statistical mechanical theories that can efficiently predict the properties of orientationally complex molecules, such as water. Also, here, the 3D MB model simply serves as a useful workbench for testing such analytical approaches. For hot water, the analytical theories give accurate agreement with the computer simulations. For cold water, the agreement is not as good. Nevertheless, these approaches are qualitatively consistent with energies, volumes, heat capacities, compressibilities, and thermal expansion coefficients versus temperature and pressure. Such analytical approaches offer a promising route to a better understanding of water and also the aqueous solvation. PMID:19929057

Theory for the three-dimensional Mercedes-Benz model of water

NASA Astrophysics Data System (ADS)

Bizjak, Alan; Urbic, Tomaz; Vlachy, Vojko; Dill, Ken A.

2009-11-01

The two-dimensional Mercedes-Benz (MB) model of water has been widely studied, both by Monte Carlo simulations and by integral equation methods. Here, we study the three-dimensional (3D) MB model. We treat water as spheres that interact through Lennard-Jones potentials and through a tetrahedral Gaussian hydrogen bonding function. As the "right answer," we perform isothermal-isobaric Monte Carlo simulations on the 3D MB model for different pressures and temperatures. The purpose of this work is to develop and test Wertheim's Ornstein-Zernike integral equation and thermodynamic perturbation theories. The two analytical approaches are orders of magnitude more efficient than the Monte Carlo simulations. The ultimate goal is to find statistical mechanical theories that can efficiently predict the properties of orientationally complex molecules, such as water. Also, here, the 3D MB model simply serves as a useful workbench for testing such analytical approaches. For hot water, the analytical theories give accurate agreement with the computer simulations. For cold water, the agreement is not as good. Nevertheless, these approaches are qualitatively consistent with energies, volumes, heat capacities, compressibilities, and thermal expansion coefficients versus temperature and pressure. Such analytical approaches offer a promising route to a better understanding of water and also the aqueous solvation.

Computer simulation of the probability that endangered whales will interact with oil spills

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

Reed, M.; Jayko, K.; Bowles, A.

1987-03-01

A numerical model system was developed to assess quantitatively the probability that endangered bowhead and gray whales will encounter spilled oil in Alaskan waters. Bowhead and gray whale migration and diving-surfacing models, and an oil-spill trajectory model comprise the system. The migration models were developed from conceptual considerations, then calibrated with and tested against observations. The movement of a whale point is governed by a random walk algorithm which stochastically follows a migratory pathway. The oil-spill model, developed under a series of other contracts, accounts for transport and spreading behavior in open water and in the presence of sea ice.more » Historical wind records and heavy, normal, or light ice cover data sets are selected at random to provide stochastic oil-spill scenarios for whale-oil interaction simulations.« less

High Energy Benthic Boundary Layer Experiment (HEBBLE): Preliminary program plan and conceptual design

NASA Technical Reports Server (NTRS)

Frewing, K.

1980-01-01

Deep sea processes of flow-sediment interaction, particularly the role of high energy ocean bottom current events in forming the seafloor topography, transporting material, and mixing the bottom of the water column are examined. A series of observations at and near the sea bottom, in water depths of 4 to 5 km, in areas of the western North Atlantic where high energy current events occur, include site surveys and physical reconnaissance to identify suitable areas and positions, and one or more six month experiments to investigate temporal and spatial variations of high energy events within the boundary layer and their interaction with the seabed. Descriptions of proposed HEBBLE activities are included, with emphasis on technology transfer to the oceanographic community through design, fabrication, testing, and operation of an instrumented ocean bottom lander.

Computational investigation of the selectivity of salen and tetrahydrosalen compounds towards the tumor-associated hCA XII isozyme.

PubMed

Akdemir, Atilla; De Monte, Celeste; Carradori, Simone; Supuran, Claudiu T

2015-02-01

In previous work, 14 salen and tetrahydrosalen compounds have been synthesized and tested in enzyme inhibition assays against cytosolic human carbonic anhydrase isozymes I and II (hCA I and II) and tumor-associated isozymes IX and XII (hCA IX and XII). These compounds show selectivity against hCA XII over hCA I, II and IX. In this study, molecular modeling and docking studies were applied to understand this preference of the compounds for hCA XII. Most likely, the compounds can displace the zinc-bound water molecule of hCA XII to form a direct interaction with the Zn(2+) ion. In the other isozymes, the compounds might not be able to displace the water molecule nor are they expected to interact with the Zn(2+) ion.

Reorientation Motion and Preferential Interactions of a Peptide in Denaturants and Osmolyte.

PubMed

Jas, Gouri S; Rentchler, Eric C; Słowicka, Agnieszka M; Hermansen, John R; Johnson, Carey K; Middaugh, C Russell; Kuczera, Krzysztof

2016-03-31

Fluorescence anisotropy decay measurements and all atom molecular dynamics simulations are used to characterize the orientational motion and preferential interaction of a peptide, N-acetyl-tryptophan-amide (NATA) containing two peptide bonds, in aqueous, urea, guanidinium chloride (GdmCl), and proline solution. Anisotropy decay measurements as a function of temperature and concentration showed moderate slowing of reorientations in urea and GdmCl and very strong slowing in proline solution, relative to water. These effects deviate significantly from simple proportionality of peptide tumbling time to solvent viscosity, leading to the investigation of microscopic preferential interaction behavior through molecular dynamics simulations. Examination of the interactions of denaturants and osmolyte with the peptide backbone uncovers the presence of strongest interaction with urea, intermediate with proline, and weakest with GdmCl. In contrast, the strongest preferential solvation of the peptide side chain is by the nonpolar part of the proline zwitterion, followed by urea, and GdmCl. Interestingly, the local density of urea around the side chain is higher, but the GdmCl distribution is more organized. Thus, the computed preferential solvation of the side chain by the denaturants and osmolyte can account for the trend in reorientation rates. Analysis of water structure and its dynamics uncovered underlying differences between urea, GdmCl, and proline. Urea exerted the smallest perturbation of water behavior. GdmCl had a larger effect on water, slowing kinetics and stabilizing interactions. Proline had the largest overall interactions, exhibiting a strong stabilizing effect on both water-water and water-peptide hydrogen bonds. The results for this elementary peptide system demonstrate significant differences in microscopic behavior of the examined solvent environments. For the commonly used denaturants, urea tends to form disorganized local aggregates around the peptide groups and has little influence on water, while GdmCl only forms specific interactions with the side chain and tends to destabilize water structure. The protective osmolyte proline has the strongest and most specific interactions with the tryptophan side chain, and also stabilizes both water-water and water-peptide hydrogen bonds. Our results strongly suggest protein or peptide denaturation triggered by urea occurs by direct interaction, whereas GdmCl interacts favorably with side chains and destabilizes peptide-water hydrogen bonds. The stabilization of biopolymers by an osmolyte such as proline is governed by favorable preferential interaction with the side chains and stabilization of water.

Land use, water and Mediterranean landscapes: modelling long-term dynamics of complex socio-ecological systems.

PubMed

Barton, C Michael; Ullah, Isaac I; Bergin, Sean

2010-11-28

The evolution of Mediterranean landscapes during the Holocene has been increasingly governed by the complex interactions of water and human land use. Different land-use practices change the amount of water flowing across the surface and infiltrating the soil, and change water's ability to move surface sediments. Conversely, water amplifies the impacts of human land use and extends the ecological footprint of human activities far beyond the borders of towns and fields. Advances in computational modelling offer new tools to study the complex feedbacks between land use, land cover, topography and surface water. The Mediterranean Landscape Dynamics project (MedLand) is building a modelling laboratory where experiments can be carried out on the long-term impacts of agropastoral land use, and whose results can be tested against the archaeological record. These computational experiments are providing new insights into the socio-ecological consequences of human decisions at varying temporal and spatial scales.

Supramolecular water oxidation with Ru-bda-based catalysts.

PubMed

Richmond, Craig J; Matheu, Roc; Poater, Albert; Falivene, Laura; Benet-Buchholz, Jordi; Sala, Xavier; Cavallo, Luigi; Llobet, Antoni

2014-12-22

Extremely slow and extremely fast new water oxidation catalysts based on the Ru-bda (bda=2,2'-bipyridine-6,6'-dicarboxylate) systems are reported with turnover frequencies in the range of 1 and 900 cycles s(-1) , respectively. Detailed analyses of the main factors involved in the water oxidation reaction have been carried out and are based on a combination of reactivity tests, electrochemical experiments, and DFT calculations. These analyses give a convergent interpretation that generates a solid understanding of the main factors involved in the water oxidation reaction, which in turn allows the design of catalysts with very low energy barriers in all the steps involved in the water oxidation catalytic cycle. We show that for this type of system π-stacking interactions are the key factors that influence reactivity and by adequately controlling them we can generate exceptionally fast water oxidation catalysts. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nature of the water/aromatic parallel alignment interactions.

PubMed

Mitoraj, Mariusz P; Janjić, Goran V; Medaković, Vesna B; Veljković, Dušan Ž; Michalak, Artur; Zarić, Snežana D; Milčić, Miloš K

2015-01-30

The water/aromatic parallel alignment interactions are interactions where the water molecule or one of its O-H bonds is parallel to the aromatic ring plane. The calculated energies of the interactions are significant, up to ΔE(CCSD)(T)(limit) = -2.45 kcal mol(-1) at large horizontal displacement, out of benzene ring and CH bond region. These interactions are stronger than CH···O water/benzene interactions, but weaker than OH···π interactions. To investigate the nature of water/aromatic parallel alignment interactions, energy decomposition methods, symmetry-adapted perturbation theory, and extended transition state-natural orbitals for chemical valence (NOCV), were used. The calculations have shown that, for the complexes at large horizontal displacements, major contribution to interaction energy comes from electrostatic interactions between monomers, and for the complexes at small horizontal displacements, dispersion interactions are dominant binding force. The NOCV-based analysis has shown that in structures with strong interaction energies charge transfer of the type π → σ*(O-H) between the monomers also exists. © 2014 Wiley Periodicals, Inc.

A New Poisson-Nernst-Planck Model with Ion-Water Interactions for Charge Transport in Ion Channels.

PubMed

Chen, Duan

2016-08-01

In this work, we propose a new Poisson-Nernst-Planck (PNP) model with ion-water interactions for biological charge transport in ion channels. Due to narrow geometries of these membrane proteins, ion-water interaction is critical for both dielectric property of water molecules in channel pore and transport dynamics of mobile ions. We model the ion-water interaction energy based on realistic experimental observations in an efficient mean-field approach. Variation of a total energy functional of the biological system yields a new PNP-type continuum model. Numerical simulations show that the proposed model with ion-water interaction energy has the new features that quantitatively describe dielectric properties of water molecules in narrow pores and are possible to model the selectivity of some ion channels.

Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif

PubMed Central

Ahmed, Mostafa H.; Spyrakis, Francesca; Cozzini, Pietro; Tripathi, Parijat K.; Mozzarelli, Andrea; Scarsdale, J. Neel; Safo, Martin A.; Kellogg, Glen E.

2011-01-01

Background There is a great interest in understanding and exploiting protein-protein associations as new routes for treating human disease. However, these associations are difficult to structurally characterize or model although the number of X-ray structures for protein-protein complexes is expanding. One feature of these complexes that has received little attention is the role of water molecules in the interfacial region. Methodology A data set of 4741 water molecules abstracted from 179 high-resolution (≤ 2.30 Å) X-ray crystal structures of protein-protein complexes was analyzed with a suite of modeling tools based on the HINT forcefield and hydrogen-bonding geometry. A metric termed Relevance was used to classify the general roles of the water molecules. Results The water molecules were found to be involved in: a) (bridging) interactions with both proteins (21%), b) favorable interactions with only one protein (53%), and c) no interactions with either protein (26%). This trend is shown to be independent of the crystallographic resolution. Interactions with residue backbones are consistent for all classes and account for 21.5% of all interactions. Interactions with polar residues are significantly more common for the first group and interactions with non-polar residues dominate the last group. Waters interacting with both proteins stabilize on average the proteins' interaction (−0.46 kcal mol−1), but the overall average contribution of a single water to the protein-protein interaction energy is unfavorable (+0.03 kcal mol−1). Analysis of the waters without favorable interactions with either protein suggests that this is a conserved phenomenon: 42% of these waters have SASA ≤ 10 Å2 and are thus largely buried, and 69% of these are within predominantly hydrophobic environments or “hydrophobic bubbles”. Such water molecules may have an important biological purpose in mediating protein-protein interactions. PMID:21961043

Running Mechanics and Metabolic Responses with Water Bottles and Bottle Belt Holders.

PubMed

Vincent, Heather K; Zdziarski, Laura A; Fallgatter, Kyle; Negron, Giorgio; Chen, Cong; Leavitt, Trevor; Horodyski, MaryBeth; Wasser, Joseph G; Vincent, Kevin R

2018-01-18

This study determined whether differential kinematics, kinetics, rates of energy use and cardiopulmonary responses occurred during running with water bottles and bottle belt holders compared to running only. Trained runners (N=42; 27.2±6.4 yr) ran on an instrumented treadmill for four conditions in a randomized order: 1) control run (CON); 2) hand-held full water bottle (FULL, 16.9 fluid oz; 454 g); 3) hand-held half-full water bottle (HALF, 8.4 fluid oz.; 227 g); and 4) waist-worn bottle belt holder (BELT; hydration belt; 676 g). Gas exchange was measured using a portable gas analyzer. Kinetic and kinematic responses were determined via standard 3D videographic techniques. Interactions of limb side (right, left) by study condition (CON, FULL, HALF, BELT) were tested for rates of oxygen use and energy expenditure, and kinematic and kinetic parameters. No significant limb side × condition interactions existed for rates of oxygen use or energy expenditure. A significant interaction occurred with sagittal elbow flexion (p<0.001). Transverse pelvis rotation excursions differed on average 3.8° across conditions. The minimum sagittal hip flexion moment was higher in the right leg in the HALF and BELT conditions compared to CON (p<0.001). Carriage of water by hand or on the waist does not significantly change kinematics of running motion, rates of oxygen use and energy expenditure or cardiopulmonary measures over short durations. Runners are likely making adjustments to joint moments and powers that preserve balance and protect the lower extremity joints while maintaining the rates of oxygen use and energy expenditure.

Atmospheric Sciences. Test Edition. AAAS Study Guides on Contemporary Problems, No. 6.

ERIC Educational Resources Information Center

Schaefer, Vincent J.; Mohnen, Volker A.

This is one of several study guides on contemporary problems produced by the American Association for the Advancement of Science with support of the National Science Foundation. This study guide includes the following sections: (1) Solar Radiation and Its Interaction with the Earth's Atmosphere System; (2) The Water Cycle; (3) Fundamentals of Air…

Testing associations between tree species and nitrate availability: do consistent patterns exist across spatial scales?

Treesearch

William T. Peterjohn; Margaret A. Harlacher; Martin J. Christ; Mary Beth Adams

2015-01-01

In forest ecosystems there are numerous factors that influence nitrate (NO3) availability and retention in ways that can significantly affect receiving waters. Unfortunately these factors often co-exist and interact making it difficult to establish the importance of each individually. Three reference watersheds at the Fernow Experimental Forest (...

Use of wastewater : challenge against scarcity,enhancement of crop disease and environment damage.

NASA Astrophysics Data System (ADS)

Dahchour, Abdelmalek; El Hajjaji, Souad; El Makhoukhi, Fadoua

2015-04-01

Reuse of treated wastewater in agriculture is a potential alternative to face shortage in water resources mainly in arid regions. Morocco is among countries that have experienced long and severe period of drought associated with shortage in water resources. Though the large efforts deployed in providing water supplies to different regions, this resource remains sufficiently available in northern part of the country only. This situation has pushed growers to use non treated wastewater for irrigation without any environmental or health cautions. Trials with waste water for irrigation have demonstrated net increase in production of irrigated crops, good improvement of soil texture and availability of nutrients. However interactions with pesticides remain neglected. Actually this interaction could be associated with an improvement or reduction of the efficacy of a given pesticide. On environmental point of view, it could improve or reduce adsorption, mobility of soil applied pesticides toward groundwater. Laboratory test with a selected fungicide showed net reduction of the efficacy of the pesticide against the target fungus. Comparison between growing species in medium spiked with pesticide/ wastewater and pesticide only shoed net increase of the growth in presence of wastewater. In the column of soil, low mobility herbicide showed net increase in mobility after percolation with water spiked with wastewater under laboratory conditions. .

Infrared thermal measurements of laser soft tissue ablation as a function of air/water coolant for Nd:YAG and diode lasers

NASA Astrophysics Data System (ADS)

Gekelman, Diana; Yamamoto, Andrew; Oto, Marvin G.; White, Joel M.

2003-06-01

The purpose of this investigation was to measure the maximum temperature at the Nd:YAG and Diode lasers fiberoptic tips as a function of air/water coolant, during soft tissue ablation in pig jaws. A pulsed Nd:YAG laser (1064nm) and a Diode laser (800-830 nm) were used varying parameters of power, conditioning or not of the fiber tip, under 4 settings of air/water coolant. The maximum temperature at the fiber tip was measured using an infra-red camera and the interaction of the fiber with the porcine soft tissue was evaluated. A two-factor ANOVA was used for statistical analysis (p<=0.05). Nd:YAG laser interaction with soft tissues produced temperatures levels directly proportional to power increase, but the conditioning of the fiber tip did not influence the temperature rise. On the other hand, conditioning of the fiber tip did influence the temperature rise for Diode laser. The addition of air/water coolant, for both lasers, did not promote temperature rise consistent with cutting and coagulation of porcine soft tissue. Laser parameters affect the fiberoptic surface temperature, and the addition of air/water coolant significantly lowered surface temperature on the fiberoptic tip for all lasers and parameters tested.

The amphiphilic action of vasopressin and analogues on the plasma membrane of Amoeba proteus.

PubMed

Mayers, P; Couillard, P

1990-10-01

Arginine (AVP) and lysine vasopressin induce a weak but statistically significant increase in the water permeability of Amoeba proteus plasmalemma. Vasotocin and deaminovasopressin, which share the hydroosmotic properties of AVP on classical vertebrate systems, are without effects on Amoeba while SKF 101926, a synthetic AVP antagonist, is even more effective than the parent compound. Theophyllin and dibutyryl-cAMP do not affect AVP action on Amoeba. Lithium, oxytocin, and carbachol are also without effect. Thus, it is unlikely that either V2 (cAMP) or V1 (phosphatidylinositol choline) receptors are involved. A clear correlation has been found between the amphiphilic character of tested peptides and their effect on Amoeba water permeability. Classical amphiphilic peptides, melittin, mastoparan, and fragment 1-8 of alpha-neoendorphin, also increased water permeability in Amoeba. It is known that vasopressin can interact with artificial lipid membranes, increasing their permeability to water. We propose that amphiphilic members of the AVP family interact directly with the lipid phase of the Amoeba membrane. Their incorporation within the lipid bilayer may cause local disruptions or may create micellar water channels as shown for other amphiphilic proteins. Our observations provide a model for the early evolution of peptide hormone systems, preceding the appearance of specific membrane receptors and associated second messenger amplifying mechanisms.

A controlled experiment in ground water flow model calibration

USGS Publications Warehouse

Hill, M.C.; Cooley, R.L.; Pollock, D.W.

1998-01-01

Nonlinear regression was introduced to ground water modeling in the 1970s, but has been used very little to calibrate numerical models of complicated ground water systems. Apparently, nonlinear regression is thought by many to be incapable of addressing such complex problems. With what we believe to be the most complicated synthetic test case used for such a study, this work investigates using nonlinear regression in ground water model calibration. Results of the study fall into two categories. First, the study demonstrates how systematic use of a well designed nonlinear regression method can indicate the importance of different types of data and can lead to successive improvement of models and their parameterizations. Our method differs from previous methods presented in the ground water literature in that (1) weighting is more closely related to expected data errors than is usually the case; (2) defined diagnostic statistics allow for more effective evaluation of the available data, the model, and their interaction; and (3) prior information is used more cautiously. Second, our results challenge some commonly held beliefs about model calibration. For the test case considered, we show that (1) field measured values of hydraulic conductivity are not as directly applicable to models as their use in some geostatistical methods imply; (2) a unique model does not necessarily need to be identified to obtain accurate predictions; and (3) in the absence of obvious model bias, model error was normally distributed. The complexity of the test case involved implies that the methods used and conclusions drawn are likely to be powerful in practice.Nonlinear regression was introduced to ground water modeling in the 1970s, but has been used very little to calibrate numerical models of complicated ground water systems. Apparently, nonlinear regression is thought by many to be incapable of addressing such complex problems. With what we believe to be the most complicated synthetic test case used for such a study, this work investigates using nonlinear regression in ground water model calibration. Results of the study fall into two categories. First, the study demonstrates how systematic use of a well designed nonlinear regression method can indicate the importance of different types of data and can lead to successive improvement of models and their parameterizations. Our method differs from previous methods presented in the ground water literature in that (1) weighting is more closely related to expected data errors than is usually the case; (2) defined diagnostic statistics allow for more effective evaluation of the available data, the model, and their interaction; and (3) prior information is used more cautiously. Second, our results challenge some commonly held beliefs about model calibration. For the test case considered, we show that (1) field measured values of hydraulic conductivity are not as directly applicable to models as their use in some geostatistical methods imply; (2) a unique model does not necessarily need to be identified to obtain accurate predictions; and (3) in the absence of obvious model bias, model error was normally distributed. The complexity of the test case involved implies that the methods used and conclusions drawn are likely to be powerful in practice.

Effect of bottom slope on the nonlinear triad interactions in shallow water

NASA Astrophysics Data System (ADS)

Chen, Hongzhou; Tang, Xiaocheng; Zhang, Ri; Gao, Junliang

2018-05-01

This paper aims at investigating the effect of bottom slope to the nonlinear triad interactions for irregular waves propagating in shallow water. The physical experiments are conducted in a wave flume with respect to the transformation of waves propagating on three bottom slopes ( β = 1/15, 1/30, and 1/45). Irregular waves with different type of breaking that are mechanically generated based on JONSWAP spectra are used for the test. The obviously different variations of spectra measured on each bottom reveal a crucial role of slope effect in the energy transfer between harmonics. The wavelet-based bispectrum were used to examine the bottom slope effect on the nonlinear triad interactions. Results show that the different bottom slopes which waves are propagated on will cause a significant discrepancy of triad interactions. Then, the discussions on the summed bicoherence which denote the distribution of phase coupling on each frequency further clarify the effect of bottom slope. Furthermore, the summed of the real and imaginary parts of bispectrum which could reflect the intensity of frequency components participating in the wave skewness and asymmetry were also investigated. Results indicate that the value of these parameters will increase as the bottom slope gets steeper.

Theoretical investigation of gas-phase molecular complex formation between 2-hydroxy thiophenol and a water molecule.

PubMed

Kumar Deb, Debojit; Sarkar, Biplab

2017-01-18

The torsional potential of OH and SH rotations in 2-hydroxy thiophenol is systematically studied using the MP2 ab initio method. The outcome of state-of-the-art calculations is used in the investigation of the structures and conformational preferences of 2-hydroxy thiophenol and aims at further interaction studies with a gas phase water molecule. SCS-MP2 and CCSD(T) complete basis set (CBS) limit interaction energies for these complexes are presented. The SCS-MP2/CBS limit is achieved using various two-point extrapolation methods with aug-cc-pVDZ and aug-cc-pVTZ basis sets. The CCSD(T) correction term is determined as the difference between CCSD(T) and SCS-MP2 interaction energies calculated using a smaller basis set. The effect of counterpoise correction on the extrapolation to the CBS limit is discussed. The performance of DFT based wB97XD, M06-2X and B3LYP-D3 functionals is tested against the benchmark energy from ab initio calculations. Hydrogen bond interactions are characterized by carrying out QTAIM, NCIPLOT, NBO and SAPT analyses.

A Classroom Simulation of Water-Rock Interaction for Upper-Level Geochemistry Courses.

ERIC Educational Resources Information Center

Cercone, Karen Rose

1988-01-01

Describes a simple hands-on model of water-rock interaction that can be constructed in the classroom using styrofoam bowls and foil-wrapped candies. This interactive simulation allows students to vary the factors which control water-rock interaction and to obtain immediate results. (Author/CW)

Ammonia Adsorption and Co-adsorption with Water in HKUST-1: Spectroscopic Evidence for Cooperative Interactions

DOE PAGES

Nijem, Nour; Fürsich, Katrin; Bluhm, Hendrik; ...

2015-10-09

Ammonia interactions and competition with water at the interface of nanoporous metal organic framework thin films of HKUST-1 (Cu 3Btc 2 , Btc = 1,3,5-benzenedicarboxylate) are investigated with ambient pressure X-ray photoelectron spectroscopy (APXPS). In the absence of water, ammonia adsorption at the Cu 2+ metal center weakens the metal-linker bond of the framework. In the presence of water, due to the higher binding energy (adsorption strength) of ammonia compared to water, ammonia replaces water at the unsaturated Cu 2+ metal centers. The water molecules remaining in the pores are stabilized by hydrogen bonding to ammonia. Hydrogen bonding between themore » water and ammonia strengthens the metal-ammonia interaction due to cooperative interactions. Cooperative interactions result in a reduction in the metal center oxidation state facilitating linker replacement by other species explaining the previously reported structure degradation.« less

Ammonia Adsorption and Co-adsorption with Water in HKUST-1: Spectroscopic Evidence for Cooperative Interactions

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

Nijem, Nour; Fürsich, Katrin; Bluhm, Hendrik

Ammonia interactions and competition with water at the interface of nanoporous metal organic framework thin films of HKUST-1 (Cu 3Btc 2 , Btc = 1,3,5-benzenedicarboxylate) are investigated with ambient pressure X-ray photoelectron spectroscopy (APXPS). In the absence of water, ammonia adsorption at the Cu 2+ metal center weakens the metal-linker bond of the framework. In the presence of water, due to the higher binding energy (adsorption strength) of ammonia compared to water, ammonia replaces water at the unsaturated Cu 2+ metal centers. The water molecules remaining in the pores are stabilized by hydrogen bonding to ammonia. Hydrogen bonding between themore » water and ammonia strengthens the metal-ammonia interaction due to cooperative interactions. Cooperative interactions result in a reduction in the metal center oxidation state facilitating linker replacement by other species explaining the previously reported structure degradation.« less

Relationships between individual-tree mortality and water-balance variables indicate positive trends in water stress-induced tree mortality across North America.

PubMed

Hember, Robbie A; Kurz, Werner A; Coops, Nicholas C

2017-04-01

Accounting for water stress-induced tree mortality in forest productivity models remains a challenge due to uncertainty in stress tolerance of tree populations. In this study, logistic regression models were developed to assess species-specific relationships between probability of mortality (P m ) and drought, drawing on 8.1 million observations of change in vital status (m) of individual trees across North America. Drought was defined by standardized (relative) values of soil water content (W s,z ) and reference evapotranspiration (ET r,z ) at each field plot. The models additionally tested for interactions between the water-balance variables, aridity class of the site (AC), and estimated tree height (h). Considering drought improved model performance in 95 (80) per cent of the 64 tested species during calibration (cross-validation). On average, sensitivity to relative drought increased with site AC (i.e. aridity). Interaction between water-balance variables and estimated tree height indicated that drought sensitivity commonly decreased during early height development and increased during late height development, which may reflect expansion of the root system and decreasing whole-plant, leaf-specific hydraulic conductance, respectively. Across North America, predictions suggested that changes in the water balance caused mortality to increase from 1.1% yr -1 in 1951 to 2.0% yr -1 in 2014 (a net change of 0.9 ± 0.3% yr -1 ). Interannual variation in mortality also increased, driven by increasingly severe droughts in 1988, 1998, 2006, 2007 and 2012. With strong confidence, this study indicates that water stress is a common cause of tree mortality. With weak-to-moderate confidence, this study strengthens previous claims attributing positive trends in mortality to increasing levels of water stress. This 'learn-as-we-go' approach - defined by sampling rare drought events as they continue to intensify - will help to constrain the hydraulic limits of dominant tree species and the viability of boreal and temperate forest biomes under continued climate change. © 2016 John Wiley & Sons Ltd.

Recent advances in understanding the interaction of groundwater and surface water

USGS Publications Warehouse

Winter, Thomas C.

1995-01-01

The most common image of the interaction of groundwater and surface water is that of the interaction of streams with a contiguous alluvial aquifer. This type of system has been the focus of study for more than 100 years, from the work of Boussinesq (1877) to the present, and stream-aquifer interaction continues to be the most common topic of papers discussing the interaction of groundwater and surface water. However, groundwater and surface water interact in a wide variety of landscapes from alpine to coastal. Within these landscapes, ground-water systems range in scale from local to regional, and the types of surface water include streams, lakes, wetlands, and oceans. Given the broad spectrum of the topic of groundwater and surface water interaction, an overview of studies of this topic could be organized according to surface water type, landscape type, scale of hydrologic systems, or field and analytical methods. All these factors are discussed, but this paper is organized according to landscape type because of the great increase in studies of the interaction of groundwater and surface water in landscapes other than riverine systems in the last 15 years. Furthermore, discussing studies by landscape type facilitates comparison of methods and results from different geologic and climatic settings. The general landscapes discussed are mountain terrane, riverine systems, coastal terrane, hummocky terrane, and karst terrane.

Direct measurements of the interactions between clathrate hydrate particles and water droplets.

PubMed

Liu, Chenwei; Li, Mingzhong; Zhang, Guodong; Koh, Carolyn A

2015-08-14

Clathrate hydrate particle agglomeration is often considered to be one of the key limiting factors in plug formation. The hydrate particle-water interaction can play a critical role in describing hydrate agglomeration, yet is severely underexplored. Therefore, this work investigates the interactions between water droplets and cyclopentane hydrate particles using a micromechanical force (MMF) apparatus. Specifically, the effect of contact time, temperature/subcooling, contact area, and the addition of Sorbitane monooleate (Span 80) surfactant on the water droplet-hydrate particle interaction behavior are studied. The measurements indicate that hydrate formation during the measurement would increase the water-hydrate interaction force significantly. The results also indicate that the contact time, subcooling and concentration of cyclopentane, which determine the hydrate formation rate and hydrate amount, will affect the hydrate-water interaction force. In addition, the interaction forces also increase with the water-hydrate contact area. The addition of Span 80 surfactant induces a change in the hydrate morphology and renders the interfaces stable versus unstable (leading to coalescence), and the contact force can affect the hydrate-water interaction behavior significantly. Compared with the hydrate-hydrate cohesion force (measured in cyclopentane), the hydrate-water adhesion force is an order of magnitude larger. These new measurements can help to provide new and critical insights into the hydrate agglomeration process and potential strategies to control this process.

Diagnosing and Reconstructing Real-World Hydroclimatic Dynamics from Time Sequenced Data: The Case of Saltwater Intrusion into Coastal Wetlands in Everglades National Park

NASA Astrophysics Data System (ADS)

Huffaker, R.; Munoz-Carpena, R.

2016-12-01

There are increasing calls to audit decision-support models used for environmental policy to ensure that they correspond with the reality facing policy makers. Modelers can establish correspondence by providing empirical evidence of real-world dynamic behavior that their models skillfully simulate. We present a pre-modeling diagnostic framework—based on nonlinear dynamic analysis—for detecting and reconstructing real-world environmental dynamics from observed time-sequenced data. Phenomenological (data-driven) modeling—based on machine learning regression techniques—extracts a set of ordinary differential equations governing empirically-diagnosed system dynamics from a single time series, or from multiple time series on causally-interacting variables. We apply the framework to investigate saltwater intrusion into coastal wetlands in Everglades National Park, Florida, USA. We test the following hypotheses posed in the literature linking regional hydrologic variables with global climatic teleconnections: (1) Sea level in Florida Bay drives well level and well salinity in the coastal Everglades; (2) Atlantic Multidecadal Oscillation (AMO) drives sea level, well level and well salinity; and (3) AMO and (El Niño Southern Oscillation) ENSO bi-causally interact. The thinking is that salt water intrusion links ocean-surface salinity with salinity of inland water sources, and sea level with inland water; that AMO and ENSO share a teleconnective relationship (perhaps through the atmosphere); and that AMO and ENSO both influence inland precipitation and thus well levels. Our results support these hypotheses, and we successfully construct a parsimonious phenomenological model that reproduces diagnosed nonlinear dynamics and system interactions. We propose that reconstructed data dynamics be used, along with other expert information, as a rigorous benchmark to guide specification and testing of hydrologic decision support models corresponding with real-world behavior.

Testing a community water supply well located near a stream for susceptibility to stream contamination and low-flows.

NASA Astrophysics Data System (ADS)

Stewart-Maddox, N. S.; Tysor, E. H.; Swanson, J.; Degon, A.; Howard, J.; Tsinnajinnie, L.; Frisbee, M. D.; Wilson, J. L.; Newman, B. D.

2014-12-01

A community well is the primary water supply to the town of El Rito. This small rural town in is located in a semi-arid, mountainous portion of northern New Mexico where water is scarce. The well is 72 meters from a nearby intermittent stream. Initial tritium sampling suggests a groundwater connection between the stream and well. The community is concerned with the sustainability and future quality of the well water. If this well is as tightly connected to the stream as the tritium data suggests, then the well is potentially at risk due to upstream contamination and the impacts of extended drought. To examine this, we observed the well over a two-week period performing pump and recovery tests, electrical resistivity surveys, and physical observations of the nearby stream. We also collected general chemistry, stable isotope and radon samples from the well and stream. Despite the large well diameter, our pump test data exhibited behavior similar to a Theis curve, but the rate of drawdown decreased below the Theis curve late in the test. This decrease suggests that the aquifer is being recharged, possibly through delayed yield, upwelling of groundwater, or from the stream. The delayed yield hypothesis is supported by our electrical resistivity surveys, which shows very little change in the saturated zone over the course of the pump test, and by low values of pump-test estimated aquifer storativity. Observations of the nearby stream showed no change in stream-water level throughout the pump test. Together this data suggests that the interaction between the stream and the well is low, but recharge could be occurring through other mechanisms such as delayed yield. Additional pump tests of longer duration are required to determine the exact nature of the aquifer and its communication with the well.

Shallow Alluvial Aquifer Ground Water System and Surface Water/Ground Water Interaction, Boulder Creek, Boulder, Colorado

NASA Astrophysics Data System (ADS)

Babcock, K. P.; Ge, S.; Crifasi, R. R.

2006-12-01

Water chemistry in Boulder Creek, Colorado, shows significant variation as the Creek flows through the City of Boulder [Barber et al., 2006]. This variation is partially due to ground water inputs, which are not quantitatively understood. The purpose of this study is (1) to understand ground water movement in a shallow alluvial aquifer system and (2) to assess surface water/ground water interaction. The study area, encompassing an area of 1 mi2, is located at the Sawhill and Walden Ponds area in Boulder. This area was reclaimed by the City of Boulder and Boulder County after gravel mining operations ceased in the 1970's. Consequently, ground water has filled in the numerous gravel pits allowing riparian vegetation regrowth and replanting. An integrated approach is used to examine the shallow ground water and surface water of the study area through field measurements, water table mapping, graphical data analysis, and numerical modeling. Collected field data suggest that lateral heterogeneity exists throughout the unconsolidated sediment. Alluvial hydraulic conductivities range from 1 to 24 ft/day and flow rates range from 0.01 to 2 ft/day. Preliminary data analysis suggests that ground water movement parallels surface topography and does not noticeably vary with season. Recharge via infiltrating precipitation is dependent on evapotranspiration (ET) demands and is influenced by preferential flow paths. During the growing season when ET demand exceeds precipitation rates, there is little recharge; however recharge occurs during cooler months when ET demand is insignificant. Preliminary data suggest that the Boulder Creek is gaining ground water as it traverses the study area. Stream flow influences the water table for distances up to 400 feet. The influence of stream flow is reflected in the zones relatively low total dissolved solids concentration. A modeling study is being conducted to synthesize aquifer test data, ground water levels, and stream flow data. The model will quantitatively assess the interaction between surface water and ground water, particularly the amount of exchange between the creek and ground water and to what extent these systems influence each other. Model sensitivity study will help identify important system parameters. A comprehensive model of the study area will serve as a tool for efficiently allocating water throughout the study area (from Boulder Creek). Water allocation is needed to prevent the eutrophication of the ponds, improve fishery management, and efficiently meet the water rights obligations in the watershed.

Water quality responses to the interaction between surface water and groundwater along the Songhua River, NE China

NASA Astrophysics Data System (ADS)

Teng, Yanguo; Hu, Bin; Zheng, Jieqiong; Wang, Jinsheng; Zhai, Yuanzheng; Zhu, Chen

2018-03-01

Investigation of surface water and groundwater interaction (SW-GW interaction) provides basic information for regional water-resource protection, management, and development. In this survey of a 10-km-wide area along both sides of the Songhua River, northeast China, the hydrogeochemical responses to different SW-GW interactions were studied. Three types of SW-GW interactions were identified—"recharge", "discharge", and "flow-through"—according to the hydraulic connection between the surface water and groundwater. The single factor index, principal component analysis, and hierarchical cluster analysis of the hydrogeochemistry and pollutant data illuminated the hydrogeochemical response to the various SW-GW interactions. Clear SW-GW interactions along the Songhua River were revealed: (1) upstream in the study area, groundwater usually discharges into the surface water, (2) groundwater is recharged by surface water downstream, and (3) discharge and flow-through coexist in between. Statistical analysis indicated that the degree of hydrogeochemical response in different types of hydraulic connection varied, being clear in recharge and flow-through modes, and less obvious in discharge mode. During the interaction process, dilution, adsorption, redox reactions, nitrification, denitrification, and biodegradation contributed to the pollutant concentration and affected hydrogeochemical response in the hyporheic zone.

Anisotropy of the water-carbon interaction: molecular simulations of water in low-diameter carbon nanotubes.

PubMed

Pérez-Hernández, Guillermo; Schmidt, Burkhard

2013-04-14

Effective Lennard-Jones models for the water-carbon interaction are derived from existing high-level ab initio calculations of water adsorbed on graphene models. The resulting potential energy well (εCO + 2εCH ≈ 1 kJ mol(-1)) is deeper than most of the previously used values in the literature on water in carbon nanotubes (CNTs). Moreover, a substantial anisotropy of the water-carbon interaction (εCO ≈ 2εCH) is obtained, which is neglected in most of the literature. We systematically investigate the effect of this anisotropy on structure and dynamics of TIP5P water confined in narrow, single-walled CNTs by means of molecular dynamics simulations for T = 300 K. While for isotropic models water usually forms one-dimensional, ordered chains inside (6,6) CNTs, we find frequent chain ruptures in simulations with medium to strongly anisotropic potentials. Here, the water molecules tend to form denser clusters displaying a liquid-like behaviour, allowing for self-diffusion along the CNT axis, in contrast to all previous simulations employing spherical (εCH = 0) interaction models. For (7,7) CNTs we observe structures close to trigonal, helical ice nanotubes which exhibit a non-monotonous dependence on the anisotropy of the water-carbon interaction. Both for vanishing and for large values of εCH we find increased fluctuations leading to a more liquid-like behaviour, with enhanced axial diffusion. In contrast, structure and dynamics of water inside (8,8) CNTs are found to be almost independent of the anisotropy of the underlying potential, which is attributed to the higher stability of the non-helical fivefold water prisms. We predict this situation to also prevail for larger CNTs, as the influence of the water-water interaction dominates over that of the water-carbon interaction.

Molybdenum disulfide and water interaction parameters

NASA Astrophysics Data System (ADS)

Heiranian, Mohammad; Wu, Yanbin; Aluru, Narayana R.

2017-09-01

Understanding the interaction between water and molybdenum disulfide (MoS2) is of crucial importance to investigate the physics of various applications involving MoS2 and water interfaces. An accurate force field is required to describe water and MoS2 interactions. In this work, water-MoS2 force field parameters are derived using the high-accuracy random phase approximation (RPA) method and validated by comparing to experiments. The parameters obtained from the RPA method result in water-MoS2 interface properties (solid-liquid work of adhesion) in good comparison to the experimental measurements. An accurate description of MoS2-water interaction will facilitate the study of MoS2 in applications such as DNA sequencing, sea water desalination, and power generation.

Lessons learned from implementing a wet laboratory molecular training workshop for beach water quality monitoring.

PubMed

Verhougstraete, Marc Paul; Brothers, Sydney; Litaker, Wayne; Blackwood, A Denene; Noble, Rachel

2015-01-01

Rapid molecular testing methods are poised to replace many of the conventional, culture-based tests currently used in fields such as water quality and food science. Rapid qPCR methods have the benefit of being faster than conventional methods and provide a means to more accurately protect public health. However, many scientists and technicians in water and food quality microbiology laboratories have limited experience using these molecular tests. To ensure that practitioners can use and implement qPCR techniques successfully, we developed a week long workshop to provide hands-on training and exposure to rapid molecular methods for water quality management. This workshop trained academic professors, government employees, private industry representatives, and graduate students in rapid qPCR methods for monitoring recreational water quality. Attendees were immersed in these new methods with hands-on laboratory sessions, lectures, and one-on-one training. Upon completion, the attendees gained sufficient knowledge and practice to teach and share these new molecular techniques with colleagues at their respective laboratories. Key findings from this workshop demonstrated: 1) participants with no prior experience could be effectively trained to conduct highly repeatable qPCR analysis in one week; 2) participants with different desirable outcomes required exposure to a range of different platforms and sample processing approaches; and 3) the collaborative interaction amongst newly trained practitioners, workshop leaders, and members of the water quality community helped foster a cohesive cohort of individuals which can advocate powerful cohort for proper implementation of molecular methods.

Lessons Learned from Implementing a Wet Laboratory Molecular Training Workshop for Beach Water Quality Monitoring

PubMed Central

Verhougstraete, Marc Paul; Brothers, Sydney; Litaker, Wayne; Blackwood, A. Denene; Noble, Rachel

2015-01-01

Rapid molecular testing methods are poised to replace many of the conventional, culture-based tests currently used in fields such as water quality and food science. Rapid qPCR methods have the benefit of being faster than conventional methods and provide a means to more accurately protect public health. However, many scientists and technicians in water and food quality microbiology laboratories have limited experience using these molecular tests. To ensure that practitioners can use and implement qPCR techniques successfully, we developed a week long workshop to provide hands-on training and exposure to rapid molecular methods for water quality management. This workshop trained academic professors, government employees, private industry representatives, and graduate students in rapid qPCR methods for monitoring recreational water quality. Attendees were immersed in these new methods with hands-on laboratory sessions, lectures, and one-on-one training. Upon completion, the attendees gained sufficient knowledge and practice to teach and share these new molecular techniques with colleagues at their respective laboratories. Key findings from this workshop demonstrated: 1) participants with no prior experience could be effectively trained to conduct highly repeatable qPCR analysis in one week; 2) participants with different desirable outcomes required exposure to a range of different platforms and sample processing approaches; and 3) the collaborative interaction amongst newly trained practitioners, workshop leaders, and members of the water quality community helped foster a cohesive cohort of individuals which can advocate powerful cohort for proper implementation of molecular methods. PMID:25822486

Exploring encapsulation mechanism of DNA and mononucleotides in sol-gel derived silica.

PubMed

Kapusuz, Derya; Durucan, Caner

2017-07-01

The encapsulation mechanism of DNA in sol-gel derived silica has been explored in order to elucidate the effect of DNA conformation on encapsulation and to identify the nature of chemical/physical interaction of DNA with silica during and after sol-gel transition. In this respect, double stranded DNA and dAMP (2'-deoxyadenosine 5'-monophosphate) were encapsulated in silica using an alkoxide-based sol-gel route. Biomolecule-encapsulating gels have been characterized using UV-Vis, 29 Si NMR, FTIR spectroscopy and gas adsorption (BET) to investigate chemical interactions of biomolecules with the porous silica network and to examine the extent of sol-gel reactions upon encapsulation. Ethidium bromide intercalation and leach out tests showed that helix conformation of DNA was preserved after encapsulation. For both biomolecules, high water-to-alkoxide ratio promoted water-producing condensation and prevented alcoholic denaturation. NMR and FTIR analyses confirmed high hydraulic reactivity (water adsorption) for more silanol groups-containing DNA and dAMP encapsulated gels than plain silica gel. No chemical binding/interaction occurred between biomolecules and silica network. DNA and dAMP encapsulated silica gelled faster than plain silica due to basic nature of DNA or dAMP containing buffer solutions. DNA was not released from silica gels to aqueous environment up to 9 days. The chemical association between DNA/dAMP and silica host was through phosphate groups and molecular water attached to silanols, acting as a barrier around biomolecules. The helix morphology was found not to be essential for such interaction. BET analyses showed that interconnected, inkbottle-shaped mesoporous silica network was condensed around DNA and dAMP molecules.

Genotype by watering regime interaction in cultivated tomato: lessons from linkage mapping and gene expression.

PubMed

Albert, Elise; Gricourt, Justine; Bertin, Nadia; Bonnefoi, Julien; Pateyron, Stéphanie; Tamby, Jean-Philippe; Bitton, Frédérique; Causse, Mathilde

2016-02-01

In tomato, genotype by watering interaction resulted from genotype re-ranking more than scale changes. Interactive QTLs according to watering regime were detected. Differentially expressed genes were identified in some intervals. As a result of climate change, drought will increasingly limit crop production in the future. Studying genotype by watering regime interactions is necessary to improve plant adaptation to low water availability. In cultivated tomato (Solanum lycopersicum L.), extensively grown in dry areas, well-mastered water deficits can stimulate metabolite production, increasing plant defenses and concentration of compounds involved in fruit quality, at the same time. However, few tomato Quantitative Trait Loci (QTLs) and genes involved in response to drought are identified or only in wild species. In this study, we phenotyped a population of 119 recombinant inbred lines derived from a cross between a cherry tomato and a large fruit tomato, grown in greenhouse under two watering regimes, in two locations. A large genetic variability was measured for 19 plant and fruit traits, under the two watering treatments. Highly significant genotype by watering regime interactions were detected and resulted from re-ranking more than scale changes. The population was genotyped for 679 SNP markers to develop a genetic map. In total, 56 QTLs were identified among which 11 were interactive between watering regimes. These later mainly exhibited antagonist effects according to watering treatment. Variation in gene expression in leaves of parental accessions revealed 2259 differentially expressed genes, among which candidate genes presenting sequence polymorphisms were identified under two main interactive QTLs. Our results provide knowledge about the genetic control of genotype by watering regime interactions in cultivated tomato and the possible use of deficit irrigation to improve tomato quality.

Experimental evaluation of a breadboard heat and product-water removal system for a space-power fuel cell designed with static water removal and evaporative cooling

NASA Technical Reports Server (NTRS)

Hagedorn, N. H.; Prokipius, P. R.

1977-01-01

A test program was conducted to evaluate the design of a heat and product-water removal system to be used with fuel cell having static water removal and evaporative cooling. The program, which was conducted on a breadboard version of the system, provided a general assessment of the design in terms of operational integrity and transient stability. This assessment showed that, on the whole, the concept appears to be inherently sound but that in refining this design, several facets will require additional study. These involve interactions between pressure regulators in the pumping loop that occur when they are not correctly matched and the question of whether an ejector is necessary in the system.

Development of a multicomponent force and moment balance for water tunnel applications, volume 1

NASA Technical Reports Server (NTRS)

Suarez, Carlos J.; Malcolm, Gerald N.; Kramer, Brian R.; Smith, Brooke C.; Ayers, Bert F.

1994-01-01

The principal objective of this research effort was to develop a multicomponent strain gauge balance to measure forces and moments on models tested in flow visualization water tunnels. An internal balance was designed that allows measuring normal and side forces, and pitching, yawing and rolling moments (no axial force). The five-components to applied loads, low interactions between the sections and no hysteresis. Static experiments (which are discussed in this Volume) were conducted in the Eidetics water tunnel with delta wings and a model of the F/A-18. Experiments with the F/A-18 model included a thorough baseline study and investigations of the effect of control surface deflections and of several Forebody Vortex Control (FVC) techniques. Results were compared to wind tunnel data and, in general, the agreement is very satisfactory. The results of the static tests provide confidence that loads can be measured accurately in the water tunnel with a relatively simple multicomponent internal balance. Dynamic experiments were also performed using the balance, and the results are discussed in detail in Volume 2 of this report.

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin; Anderson, Molly

2011-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA) that were developed using the Aspen Custom Modeler and Aspen Plus process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Impact Assessment of Salinization Affected Soil on Greenhouse Crops using SALTMED

NASA Astrophysics Data System (ADS)

Pappa, Polyxeni; Daliakopoulos, Ioannis; Tsanis, Ioannis; Varouchakis, Emmanouil

2015-04-01

Here we assess the effects of soil salinization on greenhouse crops and the potential benefits of rainwater harvesting as a soil amelioration technology. The study deals with the following scenarios: (a) variation of irrigation water salinity from 3,000 μS/cm to 500 μS/cm through mixing with rainwater, (b) crop substitution for increased tolerance and (c) climatic variability to account for the impact of climate change. In order to draw meaningful conclusions, a model that takes into account vegetation interaction, soil, irrigation water and climate variables is required. The SALTMED model is a reliable and tested physical process model that simulates evapotranspiration, plant water uptake, water and solute transport to estimate crop yield and biomass production under all irrigation systems. SALTMED is tested with the above scenarios in the RECARE FP7 Project Case Study of Timpaki, in the Island of Crete, Greece. Simulations are conducted for typical cultivations of Solanum lycopersicum, Capsicum anuumm and Solanum melongena. Preliminary results indicate the optimal combination from a set of solutions concerning the soil and water parameters can be beneficial against the salinization threat. Future research includes the validation of the results with field experiments. Keywords: salinization, greenhouse, tomato, SALTMED, rainwater, RECARE

Home tank water versus novel water differentially affect alcohol-induced locomotor activity and anxiety related behaviours in zebrafish.

PubMed

Tran, Steven; Facciol, Amanda; Gerlai, Robert

2016-05-01

The zebrafish may be uniquely well suited for studying alcohol's mechanisms of action in vivo, since alcohol can be administered via immersion in a non-invasive manner. Despite the robust behavioural effects of alcohol administration in mammals, studies reporting the locomotor stimulant and anxiolytic effects of alcohol in zebrafish have been inconsistent. In the current study, we examined whether differences in the type of water used for alcohol exposure and behavioural testing contribute to these inconsistencies. To answer this question, we exposed zebrafish to either home water from their housing tanks or novel water from an isolated reservoir (i.e. water lacking zebrafish chemosensory and olfactory cues) with 0% or 1% v/v alcohol for 30 min, a 2 × 2 between subject experimental designs. Behavioural responses were quantified throughout the 30-minute exposure session via a video tracking system. Although control zebrafish exposed to home water and novel water were virtually indistinguishable in their behavioural responses, alcohol's effect on locomotor activity and anxiety-like behavioural responses were dependent on the type of water used for testing. Alcohol exposure in home tank water produced a mild anxiolytic and locomotor stimulant effect, whereas alcohol exposure in novel water produced an anxiogenic effect without altering locomotor activity. These results represent a dissociation between alcohol's effects on locomotor and anxiety related responses, and also illustrate how environmental factors, in this case familiarity with the water, may interact with such effects. In light of these findings, we urge researchers to explicitly state the type of water used. Copyright © 2016 Elsevier Inc. All rights reserved.

[Effects of simulated acid rain on water physiological characteristics of Myrica rubra seedlings].

PubMed

Yaho, Zhao-bin; Jiang, Hong; Yu, Shu-quan; Lu, Mei-juan

2011-08-01

Taking the seedlings of typical subtropical economic tree species Myrica rubra in Zhejiang Province as test materials, a pot experiment was conducted to study their water physiological characteristics under effects of simulated acid rain (pH 2.5 and pH 4.0), with water (pH 5.6) as the control. Season, year, and acid rain all had significant effects on the photosynthetic rate (Pn). Among the treatments, the Pn had a greater difference in summer than in spring and autumn, and was higher in treatment acid rain (pH 4.0). Season, year, acid rain, and the interactions of season and year and of the three factors had significant effects on the stomata conductance (Gs), and also, the Gs had a greater difference among the treatments in summer than in spring and autumn. Acid rain had inhibitory effect on Gs. Season, year, acid rain, and the interactions of season and year and of season and acid rain affected the transpiration rate (Tr) significantly. Same as Pn and Gs, the Tr had a greater difference among the treatments in summer than in spring and autumn. Acid rain (pH 2.5) had the strongest inhibitory effect on Tr. Acid rain and the interactions of season and year and of season and acid rain had significant effects on the water use efficiency (WUE), and acid rain (pH 2.5) had definitely positive effect on the WUE.

Simulating the yield impacts of organ-level quantitative trait loci associated with drought response in maize: a "gene-to-phenotype" modeling approach.

PubMed

Chenu, Karine; Chapman, Scott C; Tardieu, François; McLean, Greg; Welcker, Claude; Hammer, Graeme L

2009-12-01

Under drought, substantial genotype-environment (G x E) interactions impede breeding progress for yield. Identifying genetic controls associated with yield response is confounded by poor genetic correlations across testing environments. Part of this problem is related to our inability to account for the interplay of genetic controls, physiological traits, and environmental conditions throughout the crop cycle. We propose a modeling approach to bridge this "gene-to-phenotype" gap. For maize under drought, we simulated the impact of quantitative trait loci (QTL) controlling two key processes (leaf and silk elongation) that influence crop growth, water use, and grain yield. Substantial G x E interaction for yield was simulated for hypothetical recombinant inbred lines (RILs) across different seasonal patterns of drought. QTL that accelerated leaf elongation caused an increase in crop leaf area and yield in well-watered or preflowering water deficit conditions, but a reduction in yield under terminal stresses (as such "leafy" genotypes prematurely exhausted the water supply). The QTL impact on yield was substantially enhanced by including pleiotropic effects of these QTL on silk elongation and on consequent grain set. The simulations obtained illustrated the difficulty of interpreting the genetic control of yield for genotypes influenced only by the additive effects of QTL associated with leaf and silk growth. The results highlight the potential of integrative simulation modeling for gene-to-phenotype prediction and for exploiting G x E interactions for complex traits such as drought tolerance.

Development of a 5-Component Balance for Water Tunnel Applications

NASA Technical Reports Server (NTRS)

Suarez, Carlos J.; Kramer, Brian R.; Smith, Brooke C.

1999-01-01

The principal objective of this research/development effort was to develop a multi-component strain gage balance to measure both static and dynamic forces and moments on models tested in flow visualization water tunnels. A balance was designed that allows measuring normal and side forces, and pitching, yawing and rolling moments (no axial force). The balance mounts internally in the model and is used in a manner typical of wind tunnel balances. The key differences between a water tunnel balance and a wind tunnel balance are the requirement for very high sensitivity since the loads are very low (typical normal force is 90 grams or 0.2 lbs), the need for water proofing the gage elements, and the small size required to fit into typical water tunnel models. The five-component balance was calibrated and demonstrated linearity in the responses of the primary components to applied loads, very low interactions between the sections and no hysteresis. Static experiments were conducted in the Eidetics water tunnel with delta wings and F/A-18 models. The data were compared to forces and moments from wind tunnel tests of the same or similar configurations. The comparison showed very good agreement, providing confidence that loads can be measured accurately in the water tunnel with a relatively simple multi-component internal balance. The success of the static experiments encouraged the use of the balance for dynamic experiments. Among the advantages of conducting dynamic tests in a water tunnel are less demanding motion and data acquisition rates than in a wind tunnel test (because of the low-speed flow) and the capability of performing flow visualization and force/moment (F/M) measurements simultaneously with relative simplicity. This capability of simultaneous flow visualization and for F/M measurements proved extremely useful to explain the results obtained during these dynamic tests. In general, the development of this balance should encourage the use of water tunnels for a wider range of quantitative and qualitative experiments, especially during the preliminary phase of aircraft design.

Numerical model of a tracer test on the Santa Clara River, Ventura County, California

USGS Publications Warehouse

Nishikawa, Tracy; Paybins, Katherine S.; Izbicki, John A.; Reichard, Eric G.

1999-01-01

To better understand the flow processes, solute-transport processes, and ground-water/surface-water interactions on the Santa Clara River in Ventura County, California, a 24-hour fluorescent-dye tracer study was performed under steady-state flow conditions on a 45-km reach of the river. The study reach includes perennial (uppermost and lowermost) subreaches and ephemeral subreaches of the lower Piru Creek and the middle Santa Clara River. The tracer-test data were used to calibrate a one-dimensional flow model (DAFLOW) and a solute-transport model (BLTM). The dye-arrival times at each sample location were simulated by calibrating the velocity parameters in DAFLOW. The simulations of dye transport indicated that (1) ground-water recharge explains the loss of mass in the ephemeral middle subreaches, and (2) groundwater recharge does not explain the loss of mass in the perennial uppermost and lowermost subreaches. The observed tracer curves in the perennial subreaches were indicative of sorptive dye losses, transient storage, and (or) photodecay - these phenomena were simulated using a linear decay term. However, analysis of the linear decay terms indicated that photodecay was not a dominant source of dye loss.To better understand the flow processes, solute-transport processes, and ground-water/surface-water interactions on the Santa Clara River in Ventura County, California, a 24-hour fluorescent-dye tracer study was performed under steady-state flow conditions on a 45-km reach of the river. The study reach includes perennial (uppermost and lowermost) subreaches and ephemeral subreaches of the lower Piru Creek and the middle Santa Clara River. The tracer-test data were used to calibrate a one-dimension-al flow model (DAFLOW) and a solute-transport model (BLTM). The dye-arrival times at each sample location were simulated by calibrating the velocity parameters in DAFLOW. The simulations of dye transport indicated that (1) ground-water recharge explains the loss of mass in the ephemeral middle subreaches, and (2) ground-water recharge does not explain the loss of mass in the perennial uppermost and lowermost subreaches. The observed tracer curves in the perennial subreaches were indicative of sorptive dye losses, transient storage, and (or) photodecay - these phenomena were simulated using a linear decay term. However, analysis of the linear decay terms indicated that photodecay was not a dominant source of dye loss.

The Odd Power of Dispersion

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

Xu, Peng

2014-12-01

In ancient China, water has been regarded as one of the five vital components of life. It has been observed that water has many fascinating properties: water is ‘soft’ yet it can penetrate a hard rock; water is ‘pure’ yet it can tolerate other beings. Because of its unique properties, water is often associated with good quality and has been given the highest praise by Laozi in his book Tao Te Ching saying: the highest/best quality that one can have is being like water. However, little did people understand why and how water possesses such fascinating properties. Modern scientific developmentsmore » made people realize that the macroscopic liquid water is made of a large number of water molecules held together via a network of hydrogen bonds. And those wonderful properties of water are merely the macroscopic manifestations of the interactions between water molecules and other molecules. For example, the dissolving ability of water is due to the fact that the interaction between a water molecule and the other molecular species is stronger than the interactions among their own molecular species. In fact the interactions between any two molecules are governed by the same physics and are termed intermolecular interaction (or intermolecular forces in some literature, although technically ‘force’ is incorrect usage here). Although the very existence of the intermolecular interactions is easily proved, e.g. the mere presence of the solid phase of matter, and scientists today have recognized that the seemingly weak intermolecular interactions essentially hold the world together through a delicate and cooperative process, the theoretical understanding of various intermolecular interactions is still far from satisfactory. On the practical side, theoreticians need to balance computational cost and accuracy. Because of the relatively small magnitudes of the intermolecular interactions, errors that appear tiny compared to the usual chemical (covalent) bonding may change conclusions qualitatively. High-level ab initio methods including explicit description of electron correlation can achieve the desired accuracy at very high computational cost. (Chapter 5 and 6) However the cooperative network of hundreds of thousands of molecules that reflects the true power of intermolecular interactions cannot be modeled easily by ab initio methods. Deeper understanding of intermolecular interactions yields better theoretical models; better theoretical models facilitate and even deepen the understanding of intermolecular interactions. With the aforementioned motivation in mind, a significant portion of this dissertation is dedicated to developing a method to describe the intermolecular interactions accurately with affordable computational resources.« less

Probing the interactions between ionic liquids and water: experimental and quantum chemical approach.

PubMed

Khan, Imran; Kurnia, Kiki A; Mutelet, Fabrice; Pinho, Simão P; Coutinho, João A P

2014-02-20

For an adequate choice or design of ionic liquids, the knowledge of their interaction with other solutes and solvents is an essential feature for predicting the reactivity and selectivity of systems involving these compounds. In this work, the activity coefficient of water in several imidazolium-based ionic liquids with the common cation 1-butyl-3-methylimidazolium was measured at 298.2 K. To contribute to a deeper insight into the interaction between ionic liquids and water, COSMO-RS was used to predict the activity coefficient of water in the studied ionic liquids along with the excess enthalpies. The results showed good agreement between experimental and predicted activity coefficient of water in ionic liquids and that the interaction of water and ionic liquids was strongly influenced by the hydrogen bonding of the anion with water. Accordingly, the intensity of interaction of the anions with water can be ranked as the following: [CF3SO3](-) < [SCN](-) < [TFA](-) < Br(-) < [TOS](-) < Cl(-) < [CH3SO3](-) [DMP](-) < [Ac](-). In addition, fluorination and aromatization of anions are shown to reduce their interaction with water. The effect of temperature on the activity coefficient of water at infinite dilution was measured by inverse gas chromatography and predicted by COSMO-RS. Further analysis based on COSMO-RS provided information on the nature of hydrogen bonding between water and anion as well as the possibility of anion-water complex formation.

Evaluation of tracer tests completed in 1999 and 2000 on the upper Santa Clara River, Los Angeles and Ventura Counties, California

USGS Publications Warehouse

Cox, Marisa H.; Mendez, Gregory O.; Kratzer, Charles R.; Reichard, Eric G.

2003-01-01

The interaction of surface water and hyporheic water along the Santa Clara River in Los Angeles and Ventura Counties, California, was evaluated by conducting tracer tests and analyzing water-quality data under different flow conditions in October 1999 and May 2000. Tracer and water-quality samples were collected at multiple river and hyporheic sites as well as at the Los Angeles County Sanitation Districts Saugus and Valencia Water Reclamation Plants. These water reclamation plants provide the main source of base flow in the river. Rhodamine WT dye was injected into the river to determine river traveltimes and to indicate when Lagrangian water-quality sampling could be performed at each site. Sodium bromide was injected into the river at a constant rate at the water reclamation plants to evaluate the surface-water and shallow ground-water interactions in the hyporheic zone. In the upper reach of the study area, which extends 2.9 river miles downstream from the Saugus Water Reclamation Plant, traveltime was 3.2 hours during May 2000. In the lower reach, which extends 14.1 river miles downstream from the Valencia Water Reclamation Plant, traveltime was 9.6 hours during October 1999 and 7.1 hours during May 2000. The sodium bromide tracer was detected at both hyporheic locations sampled during October 1999, and at two of the three hyporheic locations sampled during May 2000. On the basis of Rhodamine dye tests, flow curves were constructed from the discharge measurements in the Valencia reach. Flow-curve results indicate net gains in flow throughout most, but not all, of the upper parts of the reach and net losses in flow at the lower part of the reach. Lagrangian water-quality sampling provides information on the changes in chemistry as the water flows downstream from the water reclamation plants. Along both reaches there is an increase in sulfate (40-60 mg/L in the Saugus reach and 160 mg/L in the Valencia reach) and a decrease in chloride (about 45 mg/L in the Saugus reach and about 10 mg/L in the Valencia reach). The increasing sulfate concentrations are consistent with discharge of higher sulfate ground water into the river. Along both reaches there is a trend of decreasing ammonia and slightly increasing nitrate concentrations. This trend is consistent with nitrification. Samples were also analyzed for numerous compounds associated with wastewater, but analysis focused on four indicators. Concentrations of wastewater indicators in the Santa Clara River were low and decreased downstream from the reclamation plants. There is general consistency between the chemical and tracer data collected from the hyporheic and the river-aquifer flow regime within a reach. The water quality at the hyporheic site in a gaining reach of the river resembled that of the local ground water and no wastewater indicators or injected tracers were observed; whereas, the water quality at the hyporheic sites in a losing reach of the river resembled the water quality of the river at the corresponding river site, and injected tracers were observed.

The necessary burden of involving stakeholders in agent-based modelling for education and decision-making

NASA Astrophysics Data System (ADS)

Bommel, P.; Bautista Solís, P.; Leclerc, G.

2016-12-01

We implemented a participatory process with water stakeholders for improving resilience to drought at watershed scale, and for reducing water pollution disputes in drought prone Northwestern Costa Rica. The purpose is to facilitate co-management in a rural watershed impacted by recurrent droughts related to ENSO. The process involved designing "ContaMiCuenca", a hybrid agent-based model where users can specify the decisions of their agents. We followed a Companion Modeling approach (www.commod.org) and organized 10 workshops that included research techniques such as participatory diagnostics, actor-resources-interaction and UML diagrams, multi-agents model design, and interactive simulation sessions. We collectively assessed the main water issues in the watershed, prioritized their importance, defined the objectives of the process, and pilot-tested ContaMiCuenca for environmental education with adults and children. Simulation sessions resulted in debates about the need to improve the model accuracy, arguably more relevant for decision-making. This helped identify sensible knowledge gaps in the groundwater pollution and aquifer dynamics that need to be addressed in order to improve our collective learning. Significant mismatches among participants expectations, objectives, and agendas considerably slowed down the participatory process. The main issue may originate in participants expecting technical solutions from a positivist science, as constantly promoted in the region by dole-out initiatives, which is incompatible with the constructivist stance of participatory modellers. This requires much closer interaction of community members with modellers, which may be hard to attain in the current research practice and institutional context. Nevertheless, overcoming these constraints is necessary for a true involvement of water stakeholders to achieve community-based decisions that facilitate integrated water management. Our findings provide significant guidance for improving the trans-generational engagement of stakeholders in participatory modeling processes in a context of limited technical skills and information, research expectative mismatches, and poor multi-stakeholder interaction for decision-making.

Complex interactions between autotrophs in shallow marine and freshwater ecosystems: implications for community responses to nutrient stress.

PubMed

Havens, K E; Hauxwell, J; Tyler, A C; Thomas, S; McGlathery, K J; Cebrian, J; Valiela, I; Steinman, A D; Hwang, S J

2001-01-01

The relative biomass of autotrophs (vascular plants, macroalgae, microphytobenthos, phytoplankton) in shallow aquatic ecosystems is thought to be controlled by nutrient inputs and underwater irradiance. Widely accepted conceptual models indicate that this is the case both in marine and freshwater systems. In this paper we examine four case studies and test whether these models generally apply. We also identify other complex interactions among the autotrophs that may influence ecosystem response to cultural eutrophication. The marine case studies focus on macroalgae and its interactions with sediments and vascular plants. The freshwater case studies focus on interactions between phytoplankton, epiphyton, and benthic microalgae. In Waquoit Bay, MA (estuary), controlled experiments documented that blooms of macroalgae were responsible for the loss of eelgrass beds at nutrient-enriched locations. Macroalgae covered eelgrass and reduced irradiance to the extent that the plants could not maintain net growth. In Hog Island Bay, VA (estuary), a dense lawn of macroalgae covered the bottom sediments. There was reduced sediment-water nitrogen exchange when the algae were actively growing and high nitrogen release during algal senescence. In Lakes Brobo (West Africa) and Okeechobee (FL), there were dramatic seasonal changes in the biomass and phosphorus content of planktonic versus attached algae, and these changes were coupled with changes in water level and abiotic turbidity. Deeper water and/or greater turbidity favored dominance by phytoplankton. In Lake Brobo there also was evidence that phytoplankton growth was stimulated following a die-off of vascular plants. The case studies from Waquoit Bay and Lake Okeechobee support conceptual models of succession from vascular plants to benthic algae to phytoplankton along gradients of increasing nutrients and decreasing under-water irradiance. The case studies from Hog Island Bay and Lake Brobo illustrate additional effects (modified sediment-water nutrient fluxes, allelopathy or nutrient release during plant senescence) that could play a role in ecosystem response to nutrient stress.

Interaction between arsenic exposure from drinking water and genetic susceptibility in carotid intima–media thickness in Bangladesh

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

Wu, Fen; Department of Environmental Medicine, New York University School of Medicine, New York, NY; Jasmine, Farzana

Epidemiologic studies that evaluated genetic susceptibility for the effects of arsenic exposure from drinking water on subclinical atherosclerosis are limited. We conducted a cross-sectional study of 1078 participants randomly selected from the Health Effects of Arsenic Longitudinal Study in Bangladesh to evaluate whether the association between arsenic exposure and carotid artery intima–media thickness (cIMT) differs by 207 single-nucleotide polymorphisms (SNPs) in 18 genes related to arsenic metabolism, oxidative stress, inflammation, and endothelial dysfunction. Although not statistically significant after correcting for multiple testing, nine SNPs in APOE, AS3MT, PNP, and TNF genes had a nominally statistically significant interaction with well-water arsenicmore » in cIMT. For instance, the joint presence of a higher level of well-water arsenic (≥ 40.4 μg/L) and the GG genotype of AS3MT rs3740392 was associated with a difference of 40.9 μm (95% CI = 14.4, 67.5) in cIMT, much greater than the difference of cIMT associated with the genotype alone (β = − 5.1 μm, 95% CI = − 31.6, 21.3) or arsenic exposure alone (β = 7.2 μm, 95% CI = − 3.1, 17.5). The pattern and magnitude of the interactions were similar when urinary arsenic was used as the exposure variable. Additionally, the at-risk genotypes of the AS3MT SNPs were positively related to the proportion of monomethylarsonic acid (MMA) in urine, which is indicative of arsenic methylation capacity. The findings provide novel evidence that genetic variants related to arsenic metabolism may play an important role in arsenic-induced subclinical atherosclerosis. Future replication studies in diverse populations are needed to confirm the findings. - Highlights: • Nine SNPs had a nominally significant interaction with well-water arsenic in cIMT. • Three SNPs in AS3MT showed nominally significant interactions with urinary arsenic. • cIMT was much higher among subjects with higher arsenic exposure and AS3MT SNPs. • The at-risk genotypes of AS3MT SNPs were positively related to urinary MMA%.« less

Linking River Basin Modifications and Rural Soil and Water Management Practices in Tropical Deltas to Sea Level Rise Vulnerability

NASA Astrophysics Data System (ADS)

Rogers, K. G.; Brondizio, E.; Roy, K.; Syvitski, J. P.

2015-12-01

The increased vulnerability of deltaic communities to coastal flooding as a result of upstream engineering has been acknowledged for decades. What has received less attention is the sensitivity of deltas to the interactions between river basin modifications and local scale cultivation and irrigation. Combined with reduced river and sediment discharge, soil and water management practices in coastal areas may exacerbate the risk of tidal flooding, erosion of arable land, and salinization of soils and groundwater associated with sea level rise. This represents a cruel irony to smallholder subsistence farmers whose priorities are food, water and economic security, rather than sustainability of the environment. Such issues challenge disciplinary approaches and require integrated social-biophysical models able to understand and diagnose these complex relationships. This study applies a new conceptual framework to define the relevant social and physical units operating on the common pool resources of climate, water and sediment in the Bengal Delta (Bangladesh). The new framework will inform development of a nested geospatial analysis and a coupled model to identify multi-scale social-biophysical feedbacks associated with smallholder soil and water management practices, coastal dynamics, basin modification, and climate vulnerability in tropical deltas. The framework was used to create household surveys for collecting data on climate perceptions, land and water management, and governance. Test surveys were administered to rural farmers in 14 villages during a reconnaissance visit to coastal Bangladesh. Initial results demonstrate complexity and heterogeneity at the local scale in both biophysical conditions and decision-making. More importantly, the results illuminate how national and geopolitical-level policies scale down to impact local-level environmental and social stability in communities already vulnerable to coastal flooding. Here, we will discuss components of the new conceptual framework, present results from the test surveys, and demonstrate how the framework can be dynamically adapted to reflect complex interactions at multiple scales.

Effect of disinfectant, water age, and pipe materials on bacterial and eukaryotic community structure in drinking water biofilm.

PubMed

Wang, Hong; Masters, Sheldon; Edwards, Marc A; Falkinham, Joseph O; Pruden, Amy

2014-01-01

Availability of safe, pathogen-free drinking water is vital to public health; however, it is impossible to deliver sterile drinking water to consumers. Recent microbiome research is bringing new understanding to the true extent and diversity of microbes that inhabit water distribution systems. The purpose of this study was to determine how water chemistry in main distribution lines shape the microbiome in drinking water biofilms and to explore potential associations between opportunistic pathogens and indigenous drinking water microbes. Effects of disinfectant (chloramines, chlorine), water age (2.3 days, 5.7 days), and pipe material (cement, iron, PVC) were compared in parallel triplicate simulated water distribution systems. Pyrosequencing was employed to characterize bacteria and terminal restriction fragment polymorphism was used to profile both bacteria and eukaryotes inhabiting pipe biofilms. Disinfectant and water age were both observed to be strong factors in shaping bacterial and eukaryotic community structures. Pipe material only influenced the bacterial community structure (ANOSIM test, P < 0.05). Interactive effects of disinfectant, pipe material, and water age on both bacteria and eukaryotes were noted. Disinfectant concentration had the strongest effect on bacteria, while dissolved oxygen appeared to be a major driver for eukaryotes (BEST test). Several correlations of similarity metrics among populations of bacteria, eukaryotes, and opportunistic pathogens, as well as one significant association between mycobacterial and proteobacterial operational taxonomic units, provides insight into means by which manipulating the microbiome may lead to new avenues for limiting the growth of opportunistic pathogens (e.g., Legionella) or other nuisance organisms (e.g., nitrifiers).

On the influence of the mixture of denaturants on protein structure stability: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Shao, Qiang; Wang, Jinan; Zhu, Weiliang

2014-09-01

Mixtures of osmolytes and/or inorganic salts are present in the cell. Therefore, the understanding of the interplay of mixed osmolyte molecules and inorganic salts and their combined effects on protein structure is of fundamental importance. A novel test is presented to investigate the combined effects of urea and a chaotropic inorganic salt, potassium iodide (KI), on protein structure by using molecular dynamics simulation. It is found that the coexistence of KI and urea does not affect their respective distribution in solution. The solvation of KI salt in urea solution makes the electrostatic interactions of urea more favorable, promoting the hydrogen bonding between urea (and water) to protein backbone. The interactions from K+ and hydrogen bonding from urea and water to protein backbone work as the driving force for protein denaturation. The collaborative behavior of urea and KI salt thus enhances the denaturing ability of urea and KI mixed solution.

Intercalation of paracetamol into the hydrotalcite-like host

NASA Astrophysics Data System (ADS)

Kovanda, František; Maryšková, Zuzana; Kovář, Petr

2011-12-01

Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg-Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 °C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly near the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals.

The Study of Interactions between Active Compounds of Coffee and Willow (Salix sp.) Bark Water Extract

PubMed Central

Durak, Agata; Gawlik-Dziki, Urszula

2014-01-01

Coffee and willow are known as valuable sources of biologically active phytochemicals such as chlorogenic acid, caffeine, and salicin. The aim of the study was to determine the interactions between the active compounds contained in water extracts from coffee and bark of willow (Salix purpurea and Salix myrsinifolia). Raw materials and their mixtures were characterized by multidirectional antioxidant activities; however, bioactive constituents interacted with each other. Synergism was observed for ability of inhibition of lipid peroxidation and reducing power, whereas compounds able to scavenge ABTS radical cation acted antagonistically. Additionally, phytochemicals from willow bark possessed hydrophilic character and thermostability which justifies their potential use as an ingredient in coffee beverages. Proposed mixtures may be used in the prophylaxis or treatment of some civilization diseases linked with oxidative stress. Most importantly, strong synergism observed for phytochemicals able to prevent lipids against oxidation may suggest protective effect for cell membrane phospholipids. Obtained results indicate that extracts from bark tested Salix genotypes as an ingredient in coffee beverages can provide health promoting benefits to the consumers; however, this issue requires further study. PMID:25013777

Microbial cyclic β-(1→3),(1→6)-glucans as potential drug carriers: Interaction studies between cyclic β-glucans isolated from Bradyrhizobium japonicum and betulinic acid.

PubMed

Kambhampati, Naga Sai Visweswar; Kar, Swayamsiddha; Pinnepalli, Sai Siva Kumar; Chelli, Janardhana; Doble, Mukesh

2018-10-05

Betulinic acid (BA), a pentacyclic triterpenoid, is a very promising therapeutic drug with varied medicinal properties but it has low water solubility and consequentially low bioavailability. Cyclic β-(1→3),(1→6)-glucans (CBG), microbial cyclooligosaccharides produced by Bradyrhizobium japonicum ATCC 10324 having a cavity structure and good solubility in water have been tested for their ability to encapsulate betulinic acid and drug-binding interactions of CBG and BA were studied. First, in silico approach was employed to study the scope of any interaction between the CBG and BA. Then, the cyclic glucan-betulinic acid complexes were prepared in three compositions of 1:1, 1:2 and 1:3 CBG:BA. The complexes were analysed using UV-VIS spectroscopy, IR spectroscopy, powder XRD, differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) to confirm the computational results and consequently the encapsulation efficiency was found to be 9.53%. Copyright © 2017. Published by Elsevier B.V.

New Experimental Results on the Interaction of Molten Corium with Reactor Vessel Steel

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

Bechta, S.V.; Khabensky, V.B.; Granovsky, V.S.

In order to justify the concept of in-vessel core melt retention, it is necessary to understand the thermal and physico-chemical phenomena. Especially the interaction of the molten pool with the reactor vessel during outside cooling needs to be understood. These phenomena are very complex, in particular, where interactions with the oxidic melt are concerned. In the early stages of the retention process, the oxidic corium and the vessel steel interact under the conditions of low oxygen potential in the melt. These conditions can be simulated by a molten corium having the composition UO{sub 2}/ZrO{sub 2}/Zr, where the degree of Zr-oxidationmore » is in the range between 30 % (C-30) and 100 % (C-100). Corresponding experiments with prototypic melts at low oxygen potentials are being performed in the ISTC METCOR project 2. phase. These are: - MC 5 of corium composition 71w%UO{sub 2}-29w%ZrO{sub 2} (C-100) in neutral atmosphere (argon), - MC 6 of corium composition 76w%UO{sub 2}-9w%ZrO{sub 2}-15w%Zr (C{approx}30), also in argon. In test MC 5, the interaction of molten C-100 corium with a water-cooled steel specimen was studied for the following maximum temperatures at the specimen surface: 1075 deg. C, 1180 deg. C, 1315 deg. C and 1435 deg. C. The total duration of the experiment was {approx} 36 hours. The MC 5 test serves as a reference test for determining the characteristics of the interaction between oxidic melt and steel specimen under the conditions of minimum chemical interaction potential. To investigate the effect of substoichiometry, test No 6 was then performed with sub-oxidized molten corium C{approx}30. The maximum surface temperature of the cooled steel specimen was held at {approx} 1400 deg. C. The test duration was {approx} 10 hours. The ablation phenomena were found to differ significantly from those observed both in the reference test, as well as in former tests with oxidized melts, as they involved the formation of a low-melting metallic phase at the interface which contains iron, zirconium and uranium. The paper summarizes the results of the experiments and of the performed posttest analysis for tests MC 5 and MC 6. (authors)« less

Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates

NASA Astrophysics Data System (ADS)

Alavi, Saman; Ohmura, Ryo

2016-10-01

When compressed with water or ice under high pressure and low temperature conditions, some gases form solid gas hydrate inclusion compounds which have higher melting points than ice under those pressures. In this work, we study the balance of the guest-water and water-water interaction energies that lead to the formation of the clathrate hydrate phases. In particular, molecular dynamics simulations with accurate water potentials are used to study the energetics of the formation of structure I (sI) and II (sII) clathrate hydrates of methane, ethane, and propane. The dissociation enthalpy of the clathrate hydrate phases, the encapsulation enthalpy of methane, ethane, and propane guests in the corresponding phases, and the average bonding enthalpy of water molecules are calculated and compared with accurate calorimetric measurements and previous classical and quantum mechanical calculations, when available. The encapsulation energies of methane, ethane, and propane guests stabilize the small and large sI and sII hydrate cages, with the larger molecules giving larger encapsulation energies. The average water-water interactions are weakened in the sI and sII phases compared to ice. The relative magnitudes of the van der Waals potential energy in ice and the hydrate phases are similar, but in the ice phase, the electrostatic interactions are stronger. The stabilizing guest-water "hydrophobic" interactions compensate for the weaker water-water interactions and stabilize the hydrate phases. A number of common assumptions regarding the guest-cage water interactions are used in the van der Waals-Platteeuw statistical mechanical theory to predict the clathrate hydrate phase stability under different pressure-temperature conditions. The present calculations show that some of these assumptions may not accurately reflect the physical nature of the interactions between guest molecules and the lattice waters.

Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates.

PubMed

Alavi, Saman; Ohmura, Ryo

2016-10-21

When compressed with water or ice under high pressure and low temperature conditions, some gases form solid gas hydrate inclusion compounds which have higher melting points than ice under those pressures. In this work, we study the balance of the guest-water and water-water interaction energies that lead to the formation of the clathrate hydrate phases. In particular, molecular dynamics simulations with accurate water potentials are used to study the energetics of the formation of structure I (sI) and II (sII) clathrate hydrates of methane, ethane, and propane. The dissociation enthalpy of the clathrate hydrate phases, the encapsulation enthalpy of methane, ethane, and propane guests in the corresponding phases, and the average bonding enthalpy of water molecules are calculated and compared with accurate calorimetric measurements and previous classical and quantum mechanical calculations, when available. The encapsulation energies of methane, ethane, and propane guests stabilize the small and large sI and sII hydrate cages, with the larger molecules giving larger encapsulation energies. The average water-water interactions are weakened in the sI and sII phases compared to ice. The relative magnitudes of the van der Waals potential energy in ice and the hydrate phases are similar, but in the ice phase, the electrostatic interactions are stronger. The stabilizing guest-water "hydrophobic" interactions compensate for the weaker water-water interactions and stabilize the hydrate phases. A number of common assumptions regarding the guest-cage water interactions are used in the van der Waals-Platteeuw statistical mechanical theory to predict the clathrate hydrate phase stability under different pressure-temperature conditions. The present calculations show that some of these assumptions may not accurately reflect the physical nature of the interactions between guest molecules and the lattice waters.

Moringa oleifera leaf extracts inhibit 6β-hydroxylation of testosterone by CYP3A4

PubMed Central

Monera, Tsitsi G.; Wolfe, Alan R.; Maponga, Charles C.; Benet, Leslie Z.; Guglielmo, Joseph

2017-01-01

Background Moringa oleifera is a tropical tree often used as a herbal medicine, including by people who test positive for HIV. Since herbal constituents may interact with drugs via inhibition of metabolizing enzymes, we investigated the effects of extracts of M. oleifera on the CYP3A4-mediated 6ß-hydroxylation of testosterone. Methods Methanolic and aqueous leaf and root of extracts of M. oleifera with concentrations between 0.01 and 10 mg/ml were incubated with testosterone and mixed-sex human liver microsomes in the presence of NADPH. Metabolite concentrations were determined by HPLC. The cytotoxicity of the extracts was tested with HepG2 cells using the MTT formazan assay. Results Significant CYP3A4 inhibitory effects were found, with IC50 values of 0.5 and 2.5 mg/ml for leaf-methanol and leaf-water extracts, respectively. Root extracts were less active. Cytotoxicity was observed only with the leaf-water extract (IC50 = 6 mg/ml). Conclusions Further investigation is warranted to elucidate the potential of M. oleifera for clinically significant interactions with antiretroviral and other drugs. PMID:19745507

Study of carbon nanotube-rich impedimetric recognition electrode for ultra-low determination of polycyclic aromatic hydrocarbons in water.

PubMed

Muñoz, Jose; Navarro-Senent, Cristina; Crivillers, Nuria; Mas-Torrent, Marta

2018-04-14

Carbon nanotubes (CNTs) have been studied as an electrochemical recognition element for the impedimetric determination of priority polycyclic aromatic hydrocarbons (PAHs) in water, using hexocyanoferrate as a redox probe. For this goal, an indium tin oxide (ITO) electrode functionalized with a silane-based self-assembled monolayer carrying CNTs has been engineered. The electroanalytical method, which is similar to an antibody-antigen assay, is straightforward and exploits the high CNT-PAH affinity obtained via π-interactions. After optimizing the experimental conditions, the resulting CNT-based impedimetric recognition platform exhibits ultra-low detection limits (1.75 ± 0.04 ng·L -1 ) for the sum of PAHs tested, which was also validated by using a certified reference PAH mixture. Graphical abstract Schematic of an indium-tin-oxide (ITO) electrode functionalized with a silane-based self-assembled monolayer carrying carbon nanotubes (CNTs) as a recognition platform for the ultra-low determination of total polycyclic aromatic hydrocarbons (PAHs) in water via π-interactions using Electrochemical Impedance Spectroscopy (EIS).

Swelling of Superabsorbent Poly(Sodium-Acrylate Acrylamide) Hydrogels and Influence of Chemical Structure on Internally Cured Mortar

NASA Astrophysics Data System (ADS)

Krafcik, Matthew J.; Erk, Kendra A.

Superabsorbent hydrogel particles show promise as internal curing agents for high performance concrete (HPC). These gels can absorb and release large volumes of water and offer a solution to the problem of self-dessication in HPC. However, the gels are sensitive to ions naturally present in concrete. This research connects swelling behavior with gel-ion interactions to optimize hydrogel performance for internal curing, reducing the chance of early-age cracking and increasing the durability of HPC. Four different hydrogels of poly(sodium-acrylate acrylamide) are synthesized and characterized with swelling tests in different salt solutions. Depending on solution pH, ionic character, and gel composition, diffrerent swelling behaviors are observed. As weight percent of acrylic acid increases, gels demonstrate higher swelling ratios in reverse osmosis water, but showed substantially decreased swelling when aqueous cations are present. Additionally, in multivalent cation solutions, overshoot peaks are present, whereby the gels have a peak swelling ratio but then deswell. Multivalent cations interact with deprotonated carboxylic acid groups, constricting the gel and expelling water. Mortar containing hydrogels showed reduced autogenous shrinkage and increased relative humidity.

Arbuscular mycorrhizal mediation of biomass-density relationship of Medicago sativa L. under two water conditions in a field experiment.

PubMed

Zhang, Qian; Xu, Liming; Tang, Jianjun; Bai, Minge; Chen, Xin

2011-05-01

The biomass-density relationship (whereby the biomass of individual plants decreases as plant density increases) has generally been explained by competition for resources. Arbuscular mycorrhizal fungi (AMF) are able to affect plant interactions by mediating resource utilization, but whether this AMF-mediated interaction will change the biomass-density relationship is unclear. We conducted an experiment to test the hypothesis that AMF will shift the biomass-density relationship by affecting intraspecific competition. Four population densities (10, 100, 1,000, or 10,000 seedlings per square meter) of Medicago sativa L. were planted in field plots. Water application (1,435 or 327.7 mm/year) simulated precipitation in wet areas (sufficient water) and arid areas (insufficient water). The fungicide benomyl was applied to suppress AMF in some plots ("low-AMF" treatment) and not in others ("high-AMF" treatment). The effect of the AMF treatment on the biomass-density relationship depended on water conditions. High AMF enhanced the decrease of individual biomass with increasing density (the biomass-density line had a steeper slope) when water was sufficient but not when water was insufficient. AMF treatment did not affect plant survival rate or population size but did affect absolute competition intensity (ACI). When water was sufficient, ACI was significantly higher in the high-AMF treatment than in the low-AMF treatment, but ACI was unaffected by AMF treatment when water was insufficient. Our results suggest that AMF status did not impact survival rate and population size but did shift the biomass-density relationship via effects on intraspecific competition. This effect of AMF on the biomass-density relationship depended on the availability of water.

Closing the loop of the soil water retention curve

USGS Publications Warehouse

Lu, Ning; Alsherif, N; Wayllace, Alexandra; Godt, Jonathan W.

2015-01-01

The authors, to their knowledge for the first time, produced two complete principal soil water retention curves (SWRCs) under both positive and negative matric suction regimes. An innovative testing technique combining the transient water release and imbibition method (TRIM) and constant flow method (CFM) was used to identify the principal paths of SWRC in the positive pore-water pressure regime under unsaturated conditions. A negative matric suction of 9.8 kPa is needed to reach full saturation or close the loop of the SWRC for a silty soil. This work pushes the understanding of the interaction of soil and water into new territory by quantifying the boundaries of the SWRC over the entire suction domain, including both wetting and drying conditions that are relevant to field conditions such as slope wetting under heavy rainfall or rapid groundwater table rise in earthen dams or levees.

Fluctuating water depths affect American alligator (Alligator mississippiensis) body condition in the Everglades, Florida, USA

USGS Publications Warehouse

Brandt, Laura A.; Beauchamp, Jeffrey S.; Jeffery, Brian M.; Cherkiss, Michael S.; Mazzotti, Frank J.

2016-01-01

Successful restoration of wetland ecosystems requires knowledge of wetland hydrologic patterns and an understanding of how those patterns affect wetland plant and animal populations.Within the Everglades, Florida, USA restoration, an applied science strategy including conceptual ecological models linking drivers to indicators is being used to organize current scientific understanding to support restoration efforts. A key driver of the ecosystem affecting the distribution and abundance of organisms is the timing, distribution, and volume of water flows that result in water depth patterns across the landscape. American alligators (Alligator mississippiensis) are one of the ecological indicators being used to assess Everglades restoration because they are a keystone species and integrate biological impacts of hydrological operations through all life stages. Alligator body condition (the relative fatness of an animal) is one of the metrics being used and targets have been set to allow us to track progress. We examined trends in alligator body condition using Fulton’s K over a 15 year period (2000–2014) at seven different wetland areas within the Everglades ecosystem, assessed patterns and trends relative to restoration targets, and related those trends to hydrologic variables. We developed a series of 17 a priori hypotheses that we tested with an information theoretic approach to identify which hydrologic factors affect alligator body condition. Alligator body condition was highest throughout the Everglades during the early 2000s and is approximately 5–10% lower now (2014). Values have varied by year, area, and hydrology. Body condition was positively correlated with range in water depth and fall water depth. Our top model was the “Current” model and included variables that describe current year hydrology (spring depth, fall depth, hydroperiod, range, interaction of range and fall depth, interaction of range and hydroperiod). Across all models, interaction between range and fall water depth was the most important variable (relative weight of 1.0) followed by spring and fall water depths (0.99), range (0.96), hydroperiod (0.95) and interaction between range and hydroperiod (0.95). Our work provides additional evidence that restoring a greater range in annual water depths is important for improvement of alligator body condition and ecosystem function. This information can be incorporated into both planning and operations to assist in reaching Everglades restoration goals.

Investigating spatial variability of vertical water fluxes through the streambed in distinctive stream morphologies using temperature and head data

NASA Astrophysics Data System (ADS)

Wang, Liping; Jiang, Weiwei; Song, Jinxi; Dou, Xinyi; Guo, Hongtao; Xu, Shaofeng; Zhang, Guotao; Wen, Ming; Long, Yongqing; Li, Qi

2017-08-01

Investigating the interaction of groundwater and surface water is key to understanding the hyporheic processes. The vertical water fluxes through a streambed were determined using Darcian flux calculations and vertical sediment temperature profiles to assess the pattern and magnitude of groundwater/surface-water interaction in Beiluo River, China. Field measurements were taken in January 2015 at three different stream morphologies including a meander bend, an anabranching channel and a straight stream channel. Despite the differences of flux direction and magnitude, flux directions based on vertical temperature profiles are in good agreement with results from Darcian flux calculations at the anabranching channel, and the Kruskal-Wallis tests show no significant differences between the estimated upward fluxes based on the two methods at each site. Also, the upward fluxes based on the two methods show similar spatial distributions on the streambed, indicating (1) that higher water fluxes at the meander bend occur from the center of the channel towards the erosional bank, (2) that water fluxes at the anabranching channel are higher near the erosional bank and in the center of the channel, and (3) that in the straight channel, higher water fluxes appear from the center of the channel towards the depositional bank. It is noted that higher fluxes generally occur at certain locations with higher streambed vertical hydraulic conductivity ( K v) or where a higher vertical hydraulic gradient is observed. Moreover, differences of grain size, induced by stream morphology and contrasting erosional and depositional conditions, have significant effects on streambed K v and water fluxes.

Anomalous Ground State of the Electrons in Nano-confined Water

DTIC Science & Technology

2016-06-13

confined water system, Nafion, is so different from that of bulk water that the weakly electrostatically interacting molecule model of water is clearly...assume that water is made up molecules weakly interacting(on the scale of the zero point bond energy~.2eV) electrostatically with its neighbors2-3. In an...not possible for a collection of molecules interacting weakly electrostatically . These changes in the spatial distribution of valence electrons in

Protocol for quantitative tracing of surface water with synthetic DNA

NASA Astrophysics Data System (ADS)

Foppen, J. W.; Bogaard, T. A.

2012-04-01

Based on experiments we carried out in 2010 with various synthetic single stranded DNA markers with a size of 80 nucleotides (ssDNA; Foppen et al., 2011), we concluded that ssDNA can be used to carry out spatially distributed multi-tracer experiments in the environment. Main advantages are in principle unlimited amount of tracers, environmental friendly and tracer recovery at very high dilution rates (detection limit is very low). However, when ssDNA was injected in headwater streams, we found that at selected downstream locations, the total mass recovery was less than 100%. The exact reason for low mass recovery was unknown. In order to start identifying the cause of the loss of mass in these surface waters, and to increase our knowledge of the behaviour of synthetic ssDNA in the environment, we examined the effect of laboratory and field protocols working with artificial DNA by performing numerous batch experiments. Then, we carried out several field tests in different headwater streams in the Netherlands and in Luxembourg. The laboratory experiments consisted of a batch of water in a vessel with in the order of 10^10 ssDNA molecules injected into the batch. The total duration of each experiment was 10 hour, and, at regular time intervals, 100 µl samples were collected in a 1.5 ml Eppendorf vial for qPCR analyses. The waters we used ranged from milliQ water to river water with an Electrical Conductivity of around 400 μS/cm. The batch experiments were performed in different vessel types: polyethylene bottles, polypropylene copolymer bottles , and glass bottles. In addition, two filter types were tested: 1 µm pore size glass fibre filters and 0.2 µm pore size cellulose acetate filters. Lastly, stream bed sediment was added to the batch experiments to quantify interaction of the DNA with sediment. For each field experiment around 10^15 ssDNA molecules were injected, and water samples were collected 100 - 600 m downstream of the point of injection. Additionally, the field tests were performed with salt and deuterium as tracer. To study possible decay by sunlight and/or microbial activity for synthetic DNA, immediately in the field and for the duration of the entire experiment, we carried out batch experiments. All samples were stored in a 1.5 ml Eppendorf vial in a cool-box in dry ice (-80°C). Quantitative PCR on a Mini Opticon (Bio Rad, Hercules, CA, USA) was carried out to determine DNA concentrations in the samples. Results showed the importance of a strict protocol for working with ssDNA as a tracer for quantitative tracing, since ssDNA interacts with surface areas of glass and plastic, depending on water quality and ionic strength. Interaction with the sediment and decay due to sunlight and/or microbial activity was negligible in most cases. The ssDNA protocol was then tested in natural streams. Promising results were obtained using ssDNA as quantitative tracer. The breakthrough curves using ssDNA were similar to the ones of salt or deuterium. We will present the revised protocol to use ssDNA for multi-tracing experiments in natural streams and discuss the opportunities and limitations.

MarsSedEx I: feasibility test for sediment settling experiments under Martian gravity

NASA Astrophysics Data System (ADS)

Kuhn, Nikolaus J.

2013-04-01

Gravity has a non-linear effect on the settling velocity of sediment particles in liquids and gases. However, StokeśLaw, the common way of estimating the terminal velocity of a particle moving in a gas of liquid assumes a linear relationship between terminal velocity and gravity. For terrestrial applications, this "error" is not relevant, but it may strongly influence the terminal velocity achieved by settling particles in the Martian atmosphere or water bodies. In principle, the effect of gravity on settling velocity can also be achieved by reducing the difference in density between particle and gas or liquid. However, the use of analogues simulating the lower gravity on Mars on Earth is difficult because the properties and interaction of the liquids and materials differ from those of water and sediment, .i.e. the viscosity of the liquid or the interaction between charges surfaces and liquid molecules. An alternative for measuring the actual settling velocities of particles under Martian gravity, on Earth, is offered by placing a settling tube on a reduced gravity flight and conduct settling tests within the 20 to 25 seconds of Martian gravity that can be simulated during such a flight. In this presentation we report on the feasibility of such a test based on an experiment conducted during a reduced gravity flight in November 2012.

Trend-outflow method for understanding interactions of surface water with groundwater and atmospheric water for eight reaches of the Upper Rio Grande

NASA Astrophysics Data System (ADS)

Liu, Yi; Sheng, Zhuping

2011-11-01

SummaryAtmospheric water, surface water, and groundwater interact very actively through hydrologic processes such as precipitation, infiltration, seepage, irrigation, drainage, evaporation, and evapotranspiration in the Upper Rio Grande Basin. A trend-outflow method has been developed in this paper to gain a better understanding of the interactions based on cumulated inflow and outflow data for any river reaches of interest. A general trend-outflow equation was derived by associating the net interaction of surface water with atmospheric water as a polynomial of inflow and the net interaction of surface water with groundwater as a constant based on surface water budget. Linear and quadratic relations are probably two common trend-outflow types in the real world. It was found that trend-outflows of the Upper Rio Grande reaches, Española, Albuquerque, Socorro-Engle, Palomas, and Rincon are linear with inflow, while those of reaches, Belen, Mesilla and Hueco are quadratic. Reaches Belen, Mesilla and Hueco are found as water deficit reaches mainly for irrigated agriculture in extreme drought years.

Using stable isotopes to resolve eco-hydrological dynamics of soil-plant-atmosphere feedbacks

NASA Astrophysics Data System (ADS)

Dubbert, M.; Piayda, A.; Kübert, A.; Cuntz, M.; Werner, C.

2016-12-01

Water is the main driver of ecosystem productivity in most terrestrial ecosystems worldwide. Extreme events are predicted to increase in frequency in many regions and dynamic responses in soil-vegetation-atmosphere feedbacks play a privotal role in understanding the ecosystem water balance and functioning. In this regard, more interdisciplinary approaches, bridging hydrology, ecophysiology and atmospheric sciences are needed and particularly water stable isotopes are a powerful tracer of water transfer in soils and at the soil-plant interface (Werner and Dubbert 2016). Here, we present observations 2 different ecosystems. Water fluxes, atmospheric concentrations and their isotopic compositions were measured using laser spectroscopy. Soil moisture and its isotopic composition in several depths as well as further water sources in the ecosystem were monitored throughout the year. Using these isotopic approaches we disentangled soil-plant-atmosphere feedback processes controlling the ecosystem water cycle including vegetation effects on soil water infiltration and distribution, event water use of vegetation and soil fluxes, vegetational soil water uptake depths plasticity and partitioning of ecosystem water fluxes. In this regard, we review current strategies of ET partitioning and highlight pitfalls in the presented strategies (Dubbert et al. 2013, Dubbert et al.2014a). We demonstrate that vegetation strongly influenced water cycling, altering infiltration and distribution of precipitation. In conclusion, application of stable water isotope tracers delivers a process based understanding of interactions between soil, understorey and trees governing ecosystem water cycling necessary for prediction of climate change impact on ecosystem productivity and vulnerability. ReferencesDubbert, M. et al. (2013): Partitioning evapotranspiration - Testing the Craig and Gordon model with field measurements of oxygen isotope ratios of evaporative fluxes. Journal of Hydrology Dubbert, M. et al. (2014a): Oxygen isotope signatures of transpired water vapor: the role of isotopic non-steady-state transpiration under natural conditions. New Phytologist. Werner, C. and Dubbert, M. (2016): Resolving rapid dynamics of soil-plant-atmosphere interactions. New Phytologist.

Evaluating Effects of Marine Energy Devices on the Marine Environment - A Risk-Based and In-Water Testing Approach

NASA Astrophysics Data System (ADS)

Harker-Klimes, G.; Copping, A. E.

2016-02-01

The portfolio of emerging renewables includes generating power from offshore winds, tides, waves, and ocean currents, as well as seawater temperature and salinity differentials. These new systems are collectively known as marine renewable energy (MRE). MRE development worldwide is in the early stages of design, deployment, and commercialization. A major barrier to bringing these systems into commercial use is the need to overcome uncertainties in environmental effects that slow siting and permitting of devices. Using a risk-based approach, this paper will discuss pathways for evaluating potential effects of tidal turbines and wave energy converters (WECs) on marine animals, habitats, and ecosystem processes. Using basic biological principles and knowledge of specific MRE technologies, the Environmental Risk Evaluation System has been used to narrow pertinent risks from devices, enabling laboratory and field studies to focus on the most important interactions. These interactions, include: potential collisions and behavioral disturbances of marine mammals, fish and other organisms; effects of underwater sound on animal communication and navigation; changes in sediment transport, benthic habitats, and water quality constituents; and effects of electromagnetic fields on animals. It is then necessary to apply these findings to the projects themselves. Another uncertainty is how to measure these key interactions in high-energy locations where MRE deployment is desirable. Consequently, new systems are being developed: instrumentation, innovative platforms for deployment, and new management strategies for collecting and analyzing very large data streams. Inherent in this development pathway is the need to test, deploy, and calibrate these monitoring systems. The Triton initiative is designed to enable this development, and has initiated testing of devices in Washington State to move the MRE industry forward while protecting marine animals, habitats and processes.

A mental retardation gene, motopsin/neurotrypsin/prss12, modulates hippocampal function and social interaction

PubMed Central

Mitsui, Shinichi; Osako, Yoji; Yokoi, Fumiaki; Dang, Mai T.; Yuri, Kazunari; Li, Yuqing; Yamaguchi, Nozomi

2010-01-01

Motopsin is a mosaic serine protease secreted from neuronal cells in various brain regions including the hippocampus. The loss of motopsin function causes nonsyndromic mental retardation in humans and impairs long-term memory formation in Drosophila. To understand motopsin’s function in the mammalian brain, motopsin knockout mice were generated. Motopsin knockout mice did not have significant deficit in memory formation, as was tested using in the Morris water maze, passive avoidance, and Y-maze tests. A social recognition test showed that the motopsin knockout mice had the ability to recognize two stimulator mice, suggesting normal social memory. In a social novelty test, motopsin knockout mice spent a longer time investigating a familiar mouse than wild-type mice did. In a resident-intruder test, motopsin knockout mice showed prolonged social interaction compared to wild-type mice. Consistent with the behavioral deficit, spine density was significantly decreased on apical dendrites, but not on basal dendrites, of hippocampal pyramidal neurons of motopsin knockout mice. In contrast, pyramidal neurons at the cingulate cortex showed normal spine density. Spatial learning and social interaction induced the phosphorylation of cAMP responsive element binding protein (CREB) in hippocampal neurons of wild-type mice, whereas the phosphorylation of CREB was markedly decreased in mutant mouse brains. Our results indicate that an extracellular protease, motopsin, preferentially affects social behaviors, and modulates the functions of hippocampal neurons. PMID:20092579

A mental retardation gene, motopsin/neurotrypsin/prss12, modulates hippocampal function and social interaction.

PubMed

Mitsui, Shinichi; Osako, Yoji; Yokoi, Fumiaki; Dang, Mai T; Yuri, Kazunari; Li, Yuqing; Yamaguchi, Nozomi

2009-12-01

Motopsin is a mosaic serine protease secreted from neuronal cells in various brain regions, including the hippocampus. The loss of motopsin function causes nonsyndromic mental retardation in humans and impairs long-term memory formation in Drosophila. To understand motopsin's function in the mammalian brain, motopsin knockout (KO) mice were generated. Motopsin KO mice did not have significant deficits in memory formation, as tested using the Morris water maze, passive avoidance and Y-maze tests. A social recognition test showed that the motopsin KO mice had the ability to recognize two stimulator mice, suggesting normal social memory. In a social novelty test, motopsin KO mice spent a longer time investigating a familiar mouse than wild-type (WT) mice did. In a resident-intruder test, motopsin KO mice showed prolonged social interaction as compared with WT mice. Consistent with the behavioral deficit, spine density was significantly decreased on apical dendrites, but not on basal dendrites, of hippocampal pyramidal neurons of motopsin KO mice. In contrast, pyramidal neurons at the cingulate cortex showed normal spine density. Spatial learning and social interaction induced the phosphorylation of cAMP-responsive element-binding protein (CREB) in hippocampal neurons of WT mice, whereas the phosphorylation of CREB was markedly decreased in mutant mouse brains. Our results indicate that an extracellular protease, motopsin, preferentially affects social behaviors, and modulates the functions of hippocampal neurons.

Improved biostability assessment of drinking water with a suite of test methods at a water supply treating eutrophic lake water.

PubMed

van der Kooij, Dick; Martijn, Bram; Schaap, Peter G; Hoogenboezem, Wim; Veenendaal, Harm R; van der Wielen, Paul W J J

2015-12-15

Assessment of drinking-water biostability is generally based on measuring bacterial growth in short-term batch tests. However, microbial growth in the distribution system is affected by multiple interactions between water, biofilms and sediments. Therefore a diversity of test methods was applied to characterize the biostability of drinking water distributed without disinfectant residual at a surface-water supply. This drinking water complied with the standards for the heterotrophic plate count and coliforms, but aeromonads periodically exceeded the regulatory limit (1000 CFU 100 mL(-1)). Compounds promoting growth of the biopolymer-utilizing Flavobacterium johnsoniae strain A3 accounted for c. 21% of the easily assimilable organic carbon (AOC) concentration (17 ± 2 μg C L(-1)) determined by growth of pure cultures in the water after granular activated-carbon filtration (GACF). Growth of the indigenous bacteria measured as adenosine tri-phosphate in water samples incubated at 25 °C confirmed the low AOC in the GACF but revealed the presence of compounds promoting growth after more than one week of incubation. Furthermore, the concentration of particulate organic carbon in the GACF (83 ± 42 μg C L(-1), including 65% carbohydrates) exceeded the AOC concentration. The increased biomass accumulation rate in the continuous biofouling monitor (CBM) at the distribution system reservoir demonstrated the presence of easily biodegradable by-products related to ClO2 dosage to the GACF and in the CBM at 42 km from the treatment plant an iron-associated biomass accumulation was observed. The various methods applied thus distinguished between easily assimilable compounds, biopolymers, slowly biodegradable compounds and biomass-accumulation potential, providing an improved assessment of the biostability of the water. Regrowth of aeromonads may be related to biomass-turnover processes in the distribution system, but establishment of quantitative relationships is needed for confirmation. Copyright © 2015 Elsevier Ltd. All rights reserved.

What is the Nondominated Formulation? A Demonstration of de Novo Water Supply Portfolio Planning Under Deep Uncertainty

NASA Astrophysics Data System (ADS)

Kasprzyk, J. R.; Reed, P. M.; Characklis, G. W.; Kirsch, B. R.

2010-12-01

This paper proposes and demonstrates a new interactive framework for sensitivity-informed de Novo programming, in which a learning approach to formulating decision problems can confront the deep uncertainty within water management problems. The framework couples global sensitivity analysis using Sobol’ variance decomposition with multiobjective evolutionary algorithms (MOEAs) to generate planning alternatives and test their robustness to new modeling assumptions and scenarios. We explore these issues within the context of a risk-based water supply management problem, where a city seeks the most efficient use of a water market. The case study examines a single city’s water supply in the Lower Rio Grande Valley (LRGV) in Texas, using both a 10-year planning horizon and an extreme single-year drought scenario. The city’s water supply portfolio comprises a volume of permanent rights to reservoir inflows and use of a water market through anticipatory thresholds for acquiring transfers of water through optioning and spot leases. Diagnostic information from the Sobol’ variance decomposition is used to create a sensitivity-informed problem formulation testing different decision variable configurations, with tradeoffs for the formulation solved using a MOEA. Subsequent analysis uses the drought scenario to expose tradeoffs between long-term and short-term planning and illustrate the impact of deeply uncertain assumptions on water availability in droughts. The results demonstrate water supply portfolios’ efficiency, reliability, and utilization of transfers in the water supply market and show how to adaptively improve the value and robustness of our problem formulations by evolving our definition of optimality to discover key tradeoffs.

Research on regulating technique of material flow for 2-person and 30-day integrated CELSS test

NASA Astrophysics Data System (ADS)

Guo, Shuangsheng; Dong, Wenping; Ai, Weidang; Feng, Hongqi; Tang, Yongkang; Huang, Zhide; Shen, Yunze; Ren, Jin; Qin, Lifeng; Zeng, Gu; Zhang, Lihong; Zhu, Jingtao; Fei, Jinxue; Xu, Guoxin

2014-07-01

A man-plant integration test was processed using the CELSS integration experiment platform in which 4 kinds of plants were grown (Lactuca sativa L var. Dasusheng, L. sativa L var. Youmaicai, Gynura bicolor and Cichorium endivia L) to exchange material with 2 persons in order to research the dynamic changing laws and balanced regulation of air and water between man and plant in an inclosed system. In the test the material flow was measured so that the dynamically changing laws and balanced regulation of air and water between man and plant in the closed system were mostly mastered. The material closure degree of air, water and food reached 100%, 90% and 13.9% respectively with the whole system closure degree up to 95.1%. Meanwhile, it was proved that a 13.5 m2 planting area could meet the demand of one person for O2 in the system, and the energy efficiency ratio of which reached 59.56 g/(kW m2 day). The material flow dynamic balance-regulating technology was initially mastered between man and plant through the test. The interaction was realized among man, plant and environment in the closed system, which is of great significance to the advancement of long-term manned environment control and life support technology for China.

Interactive effects of ethanol on ulcerative colitis and its associated testicular dysfunction in pubertal BALB/c mice.

PubMed

Adedara, Isaac A; Ajayi, Babajide O; Awogbindin, Ifeoluwa O; Farombi, Ebenezer O

2017-11-01

Available epidemiological reports have indicated an increase in the incidence of ulcerative colitis, as well as alcohol consumption, globally. The present study investigated the possible interactive effects of ethanol consumption on ulcerative colitis and its associated testicular dysfunction using six groups of 12 pubertal mice each. Group I (Control) mice received drinking water alone. Group II mice received ethanol alone at 5 g/kg body weight. Group III mice received 2.5% dextran sulphate sodium (DSS) in drinking water followed by normal drinking water. Groups IV, V, and VI mice received DSS followed by ethanol at 1.25, 2.5, and 5 g/kg, respectively. Administration of ethanol to mice with ulcerative colitis intensified the disease-activity index with marked reduction in colon length, colon mass index, body weight gain, and organo-somatic indices of testes and epididymis when compared with the DSS-alone group. Moreover, ethanol exacerbated colitis-mediated decrease in enzymatic and non-enzymatic antioxidants but increased the oxidative stress and inflammatory biomarkers in the testes and epididymis. The diminution in luteinizing hormone, follicle stimulating hormone, and testosterone levels was intensified following administration of ethanol to mice with ulcerative colitis that were administered 5 g/kg ethanol alone. The decrease in sperm functional parameters and testicular spermatogenic indices as well as histopathological damage in colon, testes, and epididymis was aggravated following administration of ethanol to mice with ulcerative colitis. In conclusion, the exacerbating effects of ethanol on ulcerative colitis-induced testicular dysfunction are related to increased oxidative stress and inflammation in the treated mice. Copyright © 2017 Elsevier Inc. All rights reserved.

Layer Formation On Metal Surfaces In Lead-Bismuth At High Temperatures In Presence Of Zirconium

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

Loewen, Eric Paul; Yount, Hannah J.; Volk, Kevin

If the operating temperature lead–bismuth cooled fission reactor could be extended to 800 °C, they could produce hydrogen directly from water. A key issue for the deployment of this technology at these temperatures is the corrosion of the fuel cladding and structural materials by the lead–bismuth. Corrosion studies of several metals were performed to correlate the interaction layer formation rate as a function of time, temperature, and alloy compositions. The interaction layer is defined as the narrow band between the alloy substrate and the solidified lead–bismuth eutectic on the surface. Coupons of HT-9, 410, 316L, and F22 were tested atmore » 550 and 650 °C for 1000 h inside a zirconium corrosion cell. The oxygen potential ranged from approximately 10-22 to 10-19 Pa. Analyses were performed on the coupons to determine the depth of the interaction layer and the composition, at each time step (100, 300, and 1000 h). The thickness of the interaction layer on F22 at 550 °C was 25.3 µm, the highest of all the alloys tested, whereas at 650 °C, the layer thickness was only 5.6 µm, the lowest of all the alloys tested. The growth of the interaction layer on F22 at 650 °C was suppressed, owing to the presence of Zr (at 1500 wppm) in the LBE. In the case of 316L, the interaction layers of 4.9 and 10.6 µm were formed at 550 and 650 °C, respectively.« less

1990 Environmental monitoring report, Tonopah Test Range, Tonopah, Nevada

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

Hwang, A.; Phelan, J.; Wolff, T.

1991-05-01

There is no routine radioactive emission from Sandia National Laboratories, Tonopah Test Range (SNL, TTR). However, based on the types of test activities such as air drops, gun firings, ground- launched rockets, air-launched rockets, and other explosive tests, possibilities exist that small amounts of depleted uranium (DU) (as part of weapon components) may be released to the air or to the ground because of unusual circumstances (failures) during testing. Four major monitoring programs were used in 1990 to assess radiological impact on the public. The EPA Air Surveillance Network (ASN) found that the only gamma ({gamma}) emitting radionuclide on themore » prefilters was beryllium-7 ({sup 7}Be), a naturally-occurring spallation product formed by the interaction of cosmic radiation with atmospheric oxygen and nitrogen. The weighted average results were consistent with the area background concentrations. The EPA Thermoluminescent Dosimetry (TLD) Network and Pressurized Ion Chamber (PIC) reported normal results. In the EPA Long-Term Hydrological Monitoring Program (LTHMP), analytical results for tritium ({sup 3}H) in well water were reported and were well below DOE-derived concentration guides (DCGs). In the Reynolds Electrical and Engineering Company (REECo) Drinking Water Sampling Program, analytical results for {sup 3}H, gross alpha ({alpha}), beta ({beta}), and {gamma} scan, strontium-90 ({sup 90}Sr) and plutonium-239 ({sup 239}Pu) were within the EPA's primary drinking water standards. 29 refs., 5 figs., 15 tabs.« less

Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study

NASA Astrophysics Data System (ADS)

Toda, Jordi; Fischer, Michael; Jorge, Miguel; Gomes, José R. B.

2013-11-01

Simultaneous adsorption of two water molecules on open metal sites of the HKUST-1 metal-organic framework (MOF), modeled with a Cu2(HCOO)4 cluster, was studied by means of density functional theory (DFT) and second-order Moller-Plesset (MP2) approaches together with correlation consistent basis sets. Experimental geometries and MP2 energetic data extrapolated to the complete basis set limit were used as benchmarks for testing the accuracy of several different exchange-correlation functionals in the correct description of the water-MOF interaction. M06-L and some LC-DFT methods arise as the most appropriate in terms of the quality of geometrical data, energetic data and computational resources needed.

Interactions among resource partitioning, sampling effect, and facilitation on the biodiversity effect: a modeling approach.

PubMed

Flombaum, Pedro; Sala, Osvaldo E; Rastetter, Edward B

2014-02-01

Resource partitioning, facilitation, and sampling effect are the three mechanisms behind the biodiversity effect, which is depicted usually as the effect of plant-species richness on aboveground net primary production. These mechanisms operate simultaneously but their relative importance and interactions are difficult to unravel experimentally. Thus, niche differentiation and facilitation have been lumped together and separated from the sampling effect. Here, we propose three hypotheses about interactions among the three mechanisms and test them using a simulation model. The model simulated water movement through soil and vegetation, and net primary production mimicking the Patagonian steppe. Using the model, we created grass and shrub monocultures and mixtures, controlled root overlap and grass water-use efficiency (WUE) to simulate gradients of biodiversity, resource partitioning and facilitation. The presence of shrubs facilitated grass growth by increasing its WUE and in turn increased the sampling effect, whereas root overlap (resource partitioning) had, on average, no effect on sampling effect. Interestingly, resource partitioning and facilitation interacted so the effect of facilitation on sampling effect decreased as resource partitioning increased. Sampling effect was enhanced by the difference between the two functional groups in their efficiency in using resources. Morphological and physiological differences make one group outperform the other; once these differences were established further differences did not enhance the sampling effect. In addition, grass WUE and root overlap positively influence the biodiversity effect but showed no interactions.

The Water music of Vanuatu

NASA Astrophysics Data System (ADS)

Truscott, Tadd; Hurd, Randy; Belden, Jesse; Speirs, Nathan; Merritt, Andrew; Allen, John

2017-11-01

Female musicians from the northern islands of Vanuatu (within larger Polynesia) use the water surface as an instrument to create a variety of unique sounds. Water music is often made by a line of performers standing side by side, waist deep in clear island waters. Accompanied by singing, the women work in unison exhibiting several percussive techniques, which include striking the water surface and throwing handfuls of water which scatter into droplets before impacting the surface. Each interaction produces a unique acoustic response corresponding to the air-water-hand interaction. We highlight the connection between water interaction, cavity shape and the resulting sound which was discovered by these people through their own experimentation.

Hydrologic indices for nontidal wetlands

USGS Publications Warehouse

Lent, Robert M.; Weiskel, Peter K.; Lyford, Forest P.; Armstrong, David S.

1997-01-01

Two sets of hydrologic indices were developed to characterize the water-budget components of nontidal wetlands. The first set consisted of six water-budget indices for input and output variables, and the second set consisted of two hydrologic interaction indices derived from the water-budget indices. The indices then were applied to 19 wetlands with previously published water-budget data. Two trilinear diagrams for each wetland were constructed, one for the three input indices and another for the three output indices. These two trilinear diagrams then were combined with a central quadrangle to form a Piper-type diagram, with data points from the trilinear diagrams projected onto the quadrangle. The quadrangle then was divided into nine fields that summarized the water-budget information. Two quantitative "interaction indices" were calculated from two of the six water-budget indices (precipitation and evapotranspiration). They also were obtained graphically from the water-budget indices, which were first projected to the central quadrangle of a Piper-type diagram from the flanking trilinear plots. The first interaction index (l) defines the strength of interaction between a wetland and the surrounding ground- and surface-water system. The second interaction index (S) defines the nature of the interaction between the wetland and the surrounding ground- and surface-water system (source versus sink). Evaluation of these indices using published wetland water-budget data illustrates the usefulness of the technique.

An empirical NaKCa geothermometer for natural waters

USGS Publications Warehouse

Fournier, R.O.; Truesdell, A.H.

1973-01-01

An empirical method of estimating the last temperature of water-rock interaction has been devised. It is based upon molar Na, K and Ca concentrations in natural waters from temperature environments ranging from 4 to 340??C. The data for most geothermal waters cluster near a straight line when plotted as the function log ( Na K) + ?? log [ ??? (Ca) Na] vs reciprocal of absolute temperature, where ?? is either 1 3 or 4 3 depending upon whether the water equilibrated above or below 100??C. For most waters tested, the method gives better results than the Na K methods suggested by other workers. The ratio Na K should not be used to estimate temperature if ??? ( MCa) MNa is greater than 1. The Na K values of such waters generally yield calculated temperatures much higher than the actual temperature at which water interacted with the rock. A comparison of the composition of boiling hot-spring water with that obtained from a nearby well (170??C) in Yellowstone Park shows that continued water-rock reactions may occur during ascent of water even though that ascent is so rapid that little or no heat is lost to the country rock, i.e. the water cools adiabatically. As a result of such continued reaction, waters which dissolve additional Ca as they ascend from the aquifer to the surface will yield estimated aquifer temperatures that are too low. On the other hand, waters initially having enough Ca to deposit calcium carbonate during ascent may yield estimated aquifer temperatures that are too high if aqueous Na and K are prevented from further reaction with country rock owing to armoring by calcite or silica minerals. The Na-K-Ca geothermometer is of particular interest to those prospecting for geothermal energy. The method also may be of use in interpreting compositions of fluid inclusions. ?? 1973.

Advanced air revitalization system testing

NASA Technical Reports Server (NTRS)

Heppner, D. B.; Hallick, T. M.; Schubert, F. H.

1983-01-01

A previously developed experimental air revitalization system was tested cyclically and parametrically. One-button startup without manual interventions; extension by 1350 hours of tests with the system; capability for varying process air carbon dioxide partial pressure and humidity and coolant source for simulation of realistic space vehicle interfaces; dynamic system performance response on the interaction of the electrochemical depolarized carbon dioxide concentrator, the Sabatier carbon dioxide reduction subsystem, and the static feed water electrolysis oxygen generation subsystem, the carbon dioxide concentrator module with unitized core technology for the liquid cooled cell; and a preliminary design for a regenerative air revitalization system for the space station are discussed.

A compartmental-spatial system dynamics approach to ground water modeling.

PubMed

Roach, Jesse; Tidwell, Vince

2009-01-01

High-resolution, spatially distributed ground water flow models can prove unsuitable for the rapid, interactive analysis that is increasingly demanded to support a participatory decision environment. To address this shortcoming, we extend the idea of multiple cell (Bear 1979) and compartmental (Campana and Simpson 1984) ground water models developed within the context of spatial system dynamics (Ahmad and Simonovic 2004) for rapid scenario analysis. We term this approach compartmental-spatial system dynamics (CSSD). The goal is to balance spatial aggregation necessary to achieve a real-time integrative and interactive decision environment while maintaining sufficient model complexity to yield a meaningful representation of the regional ground water system. As a test case, a 51-compartment CSSD model was built and calibrated from a 100,0001 cell MODFLOW (McDonald and Harbaugh 1988) model of the Albuquerque Basin in central New Mexico (McAda and Barroll 2002). Seventy-seven percent of historical drawdowns predicted by the MODFLOW model were within 1 m of the corresponding CSSD estimates, and in 80% of the historical model run years the CSSD model estimates of river leakage, reservoir leakage, ground water flow to agricultural drains, and riparian evapotranspiration were within 30% of the corresponding estimates from McAda and Barroll (2002), with improved model agreement during the scenario period. Comparisons of model results demonstrate both advantages and limitations of the CCSD model approach.

Water deficit modulates the response of Vitis vinifera to the Pierce's disease pathogen Xylella fastidiosa.

PubMed

Choi, Hong-Kyu; Iandolino, Alberto; da Silva, Francisco Goes; Cook, Douglas R

2013-06-01

Pierce's disease, caused by the bacterium Xylella fastidiosa, is one of the most devastating diseases of cultivated grape, currently restricted to the Americas. To test the long-standing hypothesis that Pierce's disease results from pathogen-induced drought stress, we used the Affymetrix Vitis GeneChip to compare the transcriptional response of Vitis vinifera to Xylella infection, water deficit, or a combination of the two stresses. The results reveal a redirection of gene transcription involving 822 genes with a minimum twofold change (P < 0.05), including the upregulation of transcripts for phenylpropanoid and flavonoid biosynthesis, pathogenesis-related proteins, abscisic acid- and jasmonic acid-responsive biosynthesis, and downregulation of transcripts related to photosynthesis, growth, and nutrition. Although the transcriptional response of plants to Xylella infection was largely distinct from the response of healthy plants to water stress, we find that 138 of the pathogen-induced genes exhibited a significantly stronger transcriptional response when plants were simultaneously exposed to infection and drought stress, suggesting a strong interaction between disease and water deficit. This interaction between drought stress and disease was mirrored in planta at the physiological level for aspects of water relations and photosynthesis and in terms of the severity of disease symptoms and the extent of pathogen colonization, providing a molecular correlate of the classical concept of the disease triangle in which environment impacts disease severity.

Effects of protein conformational motions in the native form and non-uniform distribution of electrostatic interaction sites on interfacial water

NASA Astrophysics Data System (ADS)

Pal, Somedatta; Bandyopadhyay, Sanjoy

2013-07-01

Protein-water interactions and their influence on surrounding water is a long-standing problem. Despite its importance, the origin of differential water behavior at the protein surface is still elusive. We have performed molecular simulations of the protein barstar in aqueous medium. Efforts have been made to explore how the conformational motions of the protein segments in the native form and the heterogeneous electrostatic interactions with the polar and charged groups of the protein affect the interfacial water properties. The calculations reveal that reduced dimension of the hydration layer on freezing the protein's degrees of freedom does not modify the heterogeneous water distributions around the protein. However, turning off the protein-water electrostatic contribution leads to non-preferential near-uniform water arrangements at the surface. It is further shown that with protein-water electrostatic interactions turned on, the local structuring of water molecules around the segments are correlated with their degree of exposure to the solvent.

Role of water mediated interactions in protein-protein recognition landscapes.

PubMed

Papoian, Garegin A; Ulander, Johan; Wolynes, Peter G

2003-07-30

The energy landscape picture of protein folding and binding is employed to optimize a number of pair potentials for direct and water-mediated interactions in protein complex interfaces. We find that water-mediated interactions greatly complement direct interactions in discriminating against various types of trap interactions that model those present in the cell. We highlight the context dependent nature of knowledge-based binding potentials, as contrasted with the situation for autonomous folding. By performing a Principal Component Analysis (PCA) of the corresponding interaction matrixes, we rationalize the strength of the recognition signal for each combination of the contact type and reference trap states using the differential in the idealized "canonical" amino acid compositions of native and trap layers. The comparison of direct and water-mediated contact potential matrixes emphasizes the importance of partial solvation in stabilizing charged groups in the protein interfaces. Specific water-mediated interresidue interactions are expected to influence significantly the kinetics as well as thermodynamics of protein association.

Solubility of methane in water: the significance of the methane-water interaction potential.

PubMed

Konrad, Oliver; Lankau, Timm

2005-12-15

The influence of the methane-water interaction potential on the value of the Henry constant obtained from molecular dynamics simulations was investigated. The SPC, SPC/E, MSPC/E, and TIP3P potentials were used to describe water and the OPLS-UA and TraPPE potentials for methane. Nonbonding interactions between unlike atoms were calculated both with one of four mixing rules and with our new methane-water interaction potential. The Henry constants obtained from simulations using any of the mixing rules differed significantly from the experimental ones. Good agreement between simulation and experiment was achieved with the new potential over the whole temperature range.

Diatom-sedimentation feedback generates a self-organized geomorphic landscape on intertidal mudflats (Invited)

NASA Astrophysics Data System (ADS)

van de Koppel, J.; Weerman, E.; Herman, P.

2010-12-01

During spring, intertidal flats can exhibit strikingly regular spatial patterns of diatom-covered hummocks alternating with almost bare, water-filled hollows. We hypothesize that 1) the formation of this geomorphic landscape is caused by a strong interaction between benthic diatoms and sediment dynamics, inducing spatial self-organization, and 2) that self-organization affects ecosystem functioning by increasing the net average sedimentation on the tidal flat. We present a combined empirical and mathematical study to test the first hypothesis. We determined how the sediment erosion threshold varied with diatom cover and elevation. Our results were incorporated into a mathematical model to investigate whether the proposed mechanism could explain the formation of the observed patterns. Our mathematical model confirmed that the interaction between sedimentation, diatom growth and water redistribution could induce the formation of regular patterns on the intertidal mudflat. The model predicts that areas exhibiting spatially-self-organized patterns have increased sediment accretion and diatom biomass compared with areas lacking spatial patterns. We tested this prediction by following the sediment elevation during the season on both patterned and unpatterned parts of the mudflat. The results of our study confirmed our model prediction, as more sediment was found to accumulate in patterned parts of the mudflat, revealing how self-organization affected the functioning of mudflat ecosystems. Our study on intertidal mudflats provides a simple but clear-cut example of how the interaction between biological and geomorphological processes, through the process of self-organization, induces a self-organized geomorphic landscape.

Characteristics of iron corrosion scales and water quality variations in drinking water distribution systems of different pipe materials.

PubMed

Li, Manjie; Liu, Zhaowei; Chen, Yongcan; Hai, Yang

2016-12-01

Interaction between old, corroded iron pipe surfaces and bulk water is crucial to the water quality protection in drinking water distribution systems (WDS). Iron released from corrosion products will deteriorate water quality and lead to red water. This study attempted to understand the effects of pipe materials on corrosion scale characteristics and water quality variations in WDS. A more than 20-year-old hybrid pipe section assembled of unlined cast iron pipe (UCIP) and galvanized iron pipe (GIP) was selected to investigate physico-chemical characteristics of corrosion scales and their effects on water quality variations. Scanning Electron Microscope (SEM), Energy Dispersive X-ray Spectroscopy (EDS), Inductively Coupled Plasma (ICP) and X-ray Diffraction (XRD) were used to analyze micromorphology and chemical composition of corrosion scales. In bench testing, water quality parameters, such as pH, dissolved oxygen (DO), oxidation reduction potential (ORP), alkalinity, conductivity, turbidity, color, Fe 2+ , Fe 3+ and Zn 2+ , were determined. Scale analysis and bench-scale testing results demonstrated a significant effect of pipe materials on scale characteristics and thereby water quality variations in WDS. Characteristics of corrosion scales sampled from different pipe segments show obvious differences, both in physical and chemical aspects. Corrosion scales were found highly amorphous. Thanks to the protection of zinc coatings, GIP system was identified as the best water quality stability, in spite of high zinc release potential. It is deduced that the complicated composition of corrosion scales and structural break by the weld result in the diminished water quality stability in HP system. Measurement results showed that iron is released mainly in ferric particulate form. Copyright © 2016 Elsevier Ltd. All rights reserved.

Analysis of Aloe vera cytotoxicity and genotoxicity associated with endodontic medication and laser photobiomodulation.

PubMed

Carvalho, Nayane Chagas; Guedes, Simone Alves Garcez; Albuquerque-Júnior, Ricardo Luiz Cavalcanti; de Albuquerque, Diana Santana; de Souza Araújo, Adriano Antunes; Paranhos, Luiz Renato; Camargo, Samira Esteves Afonso; Ribeiro, Maria Amália Gonzaga

2018-01-01

This study aims to evaluate, in vitro, the effect of Aloe vera associated with endodontic medication, with or without laser photobiomodulation (FTL) irradiation in FP6 human pulp fibroblasts. The materials were divided into eight groups: CTR - control; CL - FTL alone; AA - Aloe vera with distilled water; AL - Aloe vera with distilled water and FTL; HA - calcium hydroxide P.A. with distilled water; HL - calcium hydroxide P.A. with distilled water and FTL; HAA - calcium hydroxide P.A. with Aloe vera and distilled water; HAL - calcium hydroxide P.A. with Aloe vera, distilled water, and FTL. The cytotoxicity was evaluated by MTT assay at 24, 48, and 72h and the genotoxicity by micronucleus test assay. This study was performed in triplicate. Data obtained in both tests were statistically analyzed by ANOVA and Tukey's tests (p≤0.05). Group AA presented high genotoxicity and low cytotoxicity. After 24, 48, and 72h, the group HAA significantly reduced the cell viability. Interaction with FTL showed slightly increase cell viability after 24 and 48h in groups CL and HL (p<0.001), despite the high genotoxicity in group CL and low genotoxicity in group HL. Group AL showed higher cell survival rate at 72h (p<0.05) and high genotoxicity (p<0.001). It was concluded that Aloe vera allowed higher cell viability in human pulp fibroblasts in the presence of calcium hydroxide or with FTL separately, but genotoxicity increased in these associations. Copyright © 2017 Elsevier B.V. All rights reserved.

Association of nuisance filamentous algae Cladophora spp. with E. coli and Salmonella in public beach waters: impacts of UV protection on bacterial survival.

PubMed

Beckinghausen, Aubrey; Martinez, Alexia; Blersch, David; Haznedaroglu, Berat Z

2014-05-01

This study investigated whether filamentous algal species commonly found in nearshore public beach water systems provide protection from natural UV to bacteria present in the same environmental settings. To test this hypothesis, Cladophora spp., a filamentous nuisance algae group causing undesired water quality in the Great Lakes region was selected and its interactions with a non-pathogenic indicator organism Escherichia coli and a pathogenic strain of Salmonella enterica serovar Typhimurium were tested. In laboratory microcosms where the lake environment and natural sunlight conditions were simulated, a 7-log removal of E. coli was observed in only six hours of exposure to UV with an initial seed concentration of 10(3) CFU mL(-1). With the presence of algae, the same log removal was achieved in 16 hours. At higher seed concentrations of 10(5) CFU mL(-1), E. coli survived for two days with an extended survival up to 11 days in the presence of Cladophora spp. S. typhimurium has shown more resilient survival profiles, with the same log removals achieved in 14 and 20 days for low and high seed concentrations respectively, in the absence of algae. Cladophora spp. caused extended protection for S. typhimurium with much less log reductions reported. Algae-mediated protection from UV irradiation was attributed to certain organic carbon exuded from Cladophora spp. In addition, confocal microscopy images confirmed close interaction between bacteria and algae, more prominent with thin filamentous Cladophora spp.

Potential of silver nanoparticle-coated polyurethane foam as an antibacterial water filter.

PubMed

Jain, Prashant; Pradeep, T

2005-04-05

Silver nanoparticles can be coated on common polyurethane (PU) foams by overnight exposure of the foams to nanoparticle solutions. Repeated washing and air-drying yields uniformly coated PU foam, which can be used as a drinking water filter where bacterial contamination of the surface water is a health risk. Nanoparticles are stable on the foam and are not washed away by water. Morphology of the foam was retained after coating. The nanoparticle binding is due to its interaction with the nitrogen atom of the PU. Online tests were conducted with a prototypical water filter. At a flow rate of 0.5 L/min, in which contact time was of the order of a second, the output count of Escherichia coli was nil when the input water had a bacterial load of 10(5) colony-forming units (CFU) per mL. Combined with the low cost and effectiveness in its applications, the technology may have large implications to developing countries. Copyright (c) 2005 Wiley Periodicals, Inc.

Probing the human estrogen receptor-α binding requirements for phenolic mono- and di-hydroxyl compounds: A combined synthesis, binding and docking study

PubMed Central

McCullough, Christopher; Neumann, Terrence S.; Gone, Jayapal Reddy; He, Zhengjie; Herrild, Christian; Wondergem, Julie; Pandey, Rajesh K.; Donaldson, William A.; Sem, Daniel S.

2014-01-01

Various estrogen analogs were synthesized and tested for binding to human ERα using a fluorescence polarization displacement assay. Binding affinity and orientation were also predicted using docking calculations. Docking was able to accurately predict relative binding affinity and orientation for estradiol, but only if a tightly bound water molecule bridging Arg394/Glu353 is present. Di-hydroxyl compounds sometimes bind in two orientations, which are flipped in terms of relative positioning of their hydroxyl groups. Di-hydroxyl compounds were predicted to bind with their aliphatic hydroxyl group interacting with His524 in ERα. One nonsteroid-based dihdroxyl compound was 1000-fold specific for ERβ over ERα, and was also 25-fold specific for agonist ERβ versus antagonist activity. Docking predictions suggest this specificity may be due to interaction of the aliphatic hydroxyl with His475 in the agonist form of ERβ, versus with Thr299 in the antagonist form. But, the presence of this aliphatic hydroxyl is not required in all compounds, since mono-hydroxyl (phenolic) compounds bind ERα with high affinity, via hydroxyl hydrogen bonding interactions with the ERα Arg394/Glu353/water triad, and van der Waals interactions with the rest of the molecule. PMID:24315190

Electrical guidance efficiency of downstream-migrating juvenile Sea Lamprey decreases with increasing water velocity

USGS Publications Warehouse

Miehls, Scott M.; Johnson, Nicholas; Haro, Alexander

2017-01-01

We tested the efficacy of a vertically oriented field of pulsed direct current (VEPDC) created by an array of vertical electrodes for guiding downstream-moving juvenile Sea Lampreys Petromyzon marinus to a bypass channel in an artificial flume at water velocities of 10–50 cm/s. Sea Lampreys were more likely to be captured in the bypass channel than in other sections of the flume regardless of electric field status (on or off) or water velocity. Additionally, Sea Lampreys were more likely to be captured in the bypass channel when the VEPDC was active; however, an interaction between the effects of VEPDC and water velocity was observed, as the likelihood of capture decreased with increases in water velocity. The distribution of Sea Lampreys shifted from right to left across the width of the flume toward the bypass channel when the VEPDC was active at water velocities less than 25 cm/s. The VEPDC appeared to have no effect on Sea Lamprey distribution in the flume at water velocities greater than 25 cm/s. We also conducted separate tests to determine the threshold at which Sea Lampreys would become paralyzed. Individuals were paralyzed at a mean power density of 37.0 µW/cm3. Future research should investigate the ability of juvenile Sea Lampreys to detect electric fields and their specific behavioral responses to electric field characteristics so as to optimize the use of this technology as a nonphysical guidance tool across variable water velocities.

AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.

PubMed

Labbé, Céline M; Pencheva, Tania; Jereva, Dessislava; Desvillechabrol, Dimitri; Becot, Jérôme; Villoutreix, Bruno O; Pajeva, Ilza; Miteva, Maria A

2017-07-03

AMMOS2 is an interactive web server for efficient computational refinement of protein-small organic molecule complexes. The AMMOS2 protocol employs atomic-level energy minimization of a large number of experimental or modeled protein-ligand complexes. The web server is based on the previously developed standalone software AMMOS (Automatic Molecular Mechanics Optimization for in silico Screening). AMMOS utilizes the physics-based force field AMMP sp4 and performs optimization of protein-ligand interactions at five levels of flexibility of the protein receptor. The new version 2 of AMMOS implemented in the AMMOS2 web server allows the users to include explicit water molecules and individual metal ions in the protein-ligand complexes during minimization. The web server provides comprehensive analysis of computed energies and interactive visualization of refined protein-ligand complexes. The ligands are ranked by the minimized binding energies allowing the users to perform additional analysis for drug discovery or chemical biology projects. The web server has been extensively tested on 21 diverse protein-ligand complexes. AMMOS2 minimization shows consistent improvement over the initial complex structures in terms of minimized protein-ligand binding energies and water positions optimization. The AMMOS2 web server is freely available without any registration requirement at the URL: http://drugmod.rpbs.univ-paris-diderot.fr/ammosHome.php. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

AMMOS2: a web server for protein–ligand–water complexes refinement via molecular mechanics

PubMed Central

Labbé, Céline M.; Pencheva, Tania; Jereva, Dessislava; Desvillechabrol, Dimitri; Becot, Jérôme; Villoutreix, Bruno O.; Pajeva, Ilza

2017-01-01

Abstract AMMOS2 is an interactive web server for efficient computational refinement of protein–small organic molecule complexes. The AMMOS2 protocol employs atomic-level energy minimization of a large number of experimental or modeled protein–ligand complexes. The web server is based on the previously developed standalone software AMMOS (Automatic Molecular Mechanics Optimization for in silico Screening). AMMOS utilizes the physics-based force field AMMP sp4 and performs optimization of protein–ligand interactions at five levels of flexibility of the protein receptor. The new version 2 of AMMOS implemented in the AMMOS2 web server allows the users to include explicit water molecules and individual metal ions in the protein–ligand complexes during minimization. The web server provides comprehensive analysis of computed energies and interactive visualization of refined protein–ligand complexes. The ligands are ranked by the minimized binding energies allowing the users to perform additional analysis for drug discovery or chemical biology projects. The web server has been extensively tested on 21 diverse protein–ligand complexes. AMMOS2 minimization shows consistent improvement over the initial complex structures in terms of minimized protein–ligand binding energies and water positions optimization. The AMMOS2 web server is freely available without any registration requirement at the URL: http://drugmod.rpbs.univ-paris-diderot.fr/ammosHome.php. PMID:28486703

Modeling Wind Wave Evolution from Deep to Shallow Water

DTIC Science & Technology

2011-09-30

validation and calibration of new model developments. WORK COMPLETED Development of a Lumped Quadruplet Approximation ( LQA ) To make evaluation of the...interactions based on the WRT method. This Lumped Quadruplet Approximation ( LQA ) clusters (lumps) contributions to the integrations over the...total transfer rate. A procedure has been developed to test the implementation (of LQA and other reduced versions of the WRT) where 1) the non

Actively generated noise liquid flowmeter.

PubMed

Tanisawa, S; Hirose, H; Yoshihisa, N

1994-01-01

A new noise flowmeter with two transducers has been tested experimentally in water. It detects the noises generated by the interaction between artificially introduced air bubbles and a built-in obstacle with a downstream transducer, and differentiates them from the external noises detected by the upstream transducer in a pipe. The system includes processing instrumentation with functions such as averaging and difference-operating for reduction of external noise effects.

Coupled impacts of climate and land use change across a river-lake continuum: insights from an integrated assessment model of Lake Champlain’s Missisquoi Basin, 2000-2040

NASA Astrophysics Data System (ADS)

Zia, Asim; Bomblies, Arne; Schroth, Andrew W.; Koliba, Christopher; Isles, Peter D. F.; Tsai, Yushiou; Mohammed, Ibrahim N.; Bucini, Gabriela; Clemins, Patrick J.; Turnbull, Scott; Rodgers, Morgan; Hamed, Ahmed; Beckage, Brian; Winter, Jonathan; Adair, Carol; Galford, Gillian L.; Rizzo, Donna; Van Houten, Judith

2016-11-01

Global climate change (GCC) is projected to bring higher-intensity precipitation and higher-variability temperature regimes to the Northeastern United States. The interactive effects of GCC with anthropogenic land use and land cover changes (LULCCs) are unknown for watershed level hydrological dynamics and nutrient fluxes to freshwater lakes. Increased nutrient fluxes can promote harmful algal blooms, also exacerbated by warmer water temperatures due to GCC. To address the complex interactions of climate, land and humans, we developed a cascading integrated assessment model to test the impacts of GCC and LULCC on the hydrological regime, water temperature, water quality, bloom duration and severity through 2040 in transnational Lake Champlain’s Missisquoi Bay. Temperature and precipitation inputs were statistically downscaled from four global circulation models (GCMs) for three Representative Concentration Pathways. An agent-based model was used to generate four LULCC scenarios. Combined climate and LULCC scenarios drove a distributed hydrological model to estimate river discharge and nutrient input to the lake. Lake nutrient dynamics were simulated with a 3D hydrodynamic-biogeochemical model. We find accelerated GCC could drastically limit land management options to maintain water quality, but the nature and severity of this impact varies dramatically by GCM and GCC scenario.

Regional-scale, fully coupled modelling of stream aquifer interaction in a tropical catchment

NASA Astrophysics Data System (ADS)

Werner, Adrian D.; Gallagher, Mark R.; Weeks, Scott W.

2006-09-01

SummaryThe planning and management of water resources in the Pioneer Valley, north-eastern Australia requires a tool for assessing the impact of groundwater and stream abstractions on water supply reliabilities and environmental flows in Sandy Creek (the main surface water system studied). Consequently, a fully coupled stream-aquifer model has been constructed using the code MODHMS, calibrated to near-stream observations of watertable behaviour and multiple components of gauged stream flow. This model has been tested using other methods of estimation, including stream depletion analysis and radon isotope tracer sampling. The coarseness of spatial discretisation, which is required for practical reasons of computational efficiency, limits the model's capacity to simulate small-scale processes (e.g., near-stream groundwater pumping, bank storage effects), and alternative approaches are required to complement the model's range of applicability. Model predictions of groundwater influx to Sandy Creek are compared with baseflow estimates from three different hydrograph separation techniques, which were found to be unable to reflect the dynamics of Sandy Creek stream-aquifer interactions. The model was also used to infer changes in the water balance of the system caused by historical land use change. This led to constraints on the recharge distribution which can be implemented to improve model calibration performance.

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

Burnett, W.C.

Hundreds of islands in the tropical Pacific Ocean contain phosphate deposits ranging from inconsequential to economically significant in size. Although many of these deposits clearly have formed by the interaction of avian guano with underlying limestone, some display evidence of having developed within an aqueous environment. Several of the emergent carbonate islands in the southern part of Palau contain phosphate deposits that the authors speculate formed in anoxic marine lakes, similar to those which still occur on a few of these islands. Lake water, sediments, and sediment pore waters from Jellyfish Lake, on the island of Eil Malk in Palau,more » were analyzed during an expedition in 1987. The results of this investigation supported, but did not provide, conclusive evidence of our hypothesis. Pore water profiles of phosphate and fluoride confirmed precipitation of carbonate fluorapatite. However, the extremely high bulk sediment accumulation rate, driven by the high biological productivity of the surface waters of the lake, dilutes authigenic phosphate to low levels. They have refined their original proposal to suggest that phosphate deposits may form either by: (1) subaerial weathering and concentration of phosphatic sediments after these lakes disappear; or (2) interaction of phosphate-enriched sediment pore solutions with limestone at the underlying contact. Another expedition to test these concepts is being planned.« less

Characterization of textural, rheological, thermal, microstructural, and water mobility in wheat flour dough and bread affected by trehalose.

PubMed

Peng, Bo; Li, Youqian; Ding, Shiyong; Yang, Jun

2017-10-15

The study aims to elucidate the effects of trehalose on the mechanical, thermal, and rheological properties of wheat flour dough and water distribution in bread. Texture profile analysis, DSC, farinograph, extensograph, and frequency sweep were applied in dough. The results from SEM revealed that the gluten film became less notable with the presence of trehalose. The kinetics of staling process, low-field 1 H NMR, and water-binding capacity were employed to characterize physicochemical properties of bread. Trehalose decreased the staling rate constant k, indicating an inhibitory effect on firming process in bread. Trehalose had the ability to retain water by hindering the interaction among water molecules, gluten and starch, thus relatively increasing the immobility of the part of water represented by T 22 in low-field 1 H NMR tests. Trehalose restricted water mobilization during storage, resulting in a better water-holding capacity. Our findings reveal that trehalose could be an improver in dough and bread-making performance, as well as an antistaling agent in bread. Copyright © 2017 Elsevier Ltd. All rights reserved.

Time Evolution of the Wettability of Supported Graphene under Ambient Air Exposure

PubMed Central

2016-01-01

The wettability of graphene is both fundamental and crucial for interfacing in most applications, but a detailed understanding of its time evolution remains elusive. Here we systematically investigate the wettability of metal-supported, chemical vapor deposited graphene films as a function of ambient air exposure time using water and various other test liquids with widely different surface tensions. The wettability of graphene is not constant, but varies with substrate interactions and air exposure time. The substrate interactions affect the initial graphene wettability, where, for instance, water contact angles of ∼85 and ∼61° were measured for Ni and Cu supported graphene, respectively, after just minutes of air exposure. Analysis of the surface free energy components indicates that the substrate interactions strongly influence the Lewis acid–base component of supported graphene, which is considerably weaker for Ni supported graphene than for Cu supported graphene, suggesting that the classical van der Waals interaction theory alone is insufficient to describe the wettability of graphene. For prolonged air exposure, the effect of physisorption of airborne contaminants becomes increasingly dominant, resulting in an increase of water contact angle that follows a universal linear-logarithmic relationship with exposure time, until saturating at a maximum value of 92–98°. The adsorbed contaminants render all supported graphene samples increasingly nonpolar, although their total surface free energy decreases only by 10–16% to about 37–41 mJ/m2. Our finding shows that failure to account for the air exposure time may lead to widely different wettability values and contradicting arguments about the wetting transparency of graphene. PMID:26900413

Modeling Adsorption-Desorption Processes at the Intermolecular Interactions Level

NASA Astrophysics Data System (ADS)

Varfolomeeva, Vera V.; Terentev, Alexey V.

2018-01-01

Modeling of the surface adsorption and desorption processes, as well as the diffusion, are of considerable interest for the physical phenomenon under study in ground tests conditions. When imitating physical processes and phenomena, it is important to choose the correct parameters to describe the adsorption of gases and the formation of films on the structural materials surface. In the present research the adsorption-desorption processes on the gas-solid interface are modeled with allowance for diffusion. Approaches are proposed to describe the adsorbate distribution on the solid body surface at the intermolecular interactions level. The potentials of the intermolecular interaction of water-water, water-methane and methane-methane were used to adequately modeling the real physical and chemical processes. The energies calculated by the B3LYP/aug-cc-pVDZ method. Computational algorithms for determining the average molecule area in a dense monolayer, are considered here. Differences in modeling approaches are also given: that of the proposed in this work and the previously approved probabilistic cellular automaton (PCA) method. It has been shown that the main difference is due to certain limitations of the PCA method. The importance of accounting the intermolecular interactions via hydrogen bonding has been indicated. Further development of the adsorption-desorption processes modeling will allow to find the conditions for of surface processes regulation by means of quantity adsorbed molecules control. The proposed approach to representing the molecular system significantly shortens the calculation time in comparison with the use of atom-atom potentials. In the future, this will allow to modeling the multilayer adsorption at a reasonable computational cost.

Rational design and synthesis of water-compatible molecularly imprinted polymers for selective solid phase extraction of amiodarone.

PubMed

Muhammad, Turghun; Cui, Liu; Jide, Wang; Piletska, Elena V; Guerreiro, Antonio R; Piletsky, Sergey A

2012-01-04

Novel water-compatible molecularly imprinted polymers (MIPs) selective for amiodarone (AD) were designed via a new methodology which relies on screening library of non-imprinted polymers (NIPs). The NIP library consisted of eighteen cross-linked co-polymers synthesized from monomers commonly used in molecular imprinting. The binding capacity of each polymer in the library was analyzed in two different solvents. Binding in water was used to assess non-specific (hydrophobic) interactions and binding in an appropriate organic solvent was used to assess specific interactions. A good correlation was found between the screening tests and modeling of monomer-template interactions performed using computational approach. Additionally, analysis of template-monomer interactions was performed using UV-vis spectroscopy. As the result, 4-vinylpyridine (4-VP) was selected as the best monomer for developing MIP for AD. The 4-VP-based polymers demonstrated imprinting factor equal 3.9. The polymers performance in SPE was evaluated using AD and its structural analogues. The recovery of AD was as high as 96% when extracted from spiked phosphate buffer (pH 4.5) solution and 82.1% from spiked serum samples. The developed MIP shown as a material with specific binding to AD, comparing to its structural analogues, 1-(2-diethylaminoethoxy)-2,6-diiodo-4-nitrobenzene and lidocaine, which shown 9.9% and 25.4% of recovery from the buffer solution, correspondingly. We believe that the screening of NIP library could be proposed as an alternative to commonly used computational and combinatorial approaches. Copyright © 2011 Elsevier B.V. All rights reserved.

Exposure to Pb, Cd, and As mixtures potentiates the production of oxidative stress precursors: 30-day, 90-day, and 180-day drinking water studies in rats.

PubMed

Whittaker, Margaret H; Wang, Gensheng; Chen, Xue-Qing; Lipsky, Michael; Smith, Donald; Gwiazda, Roberto; Fowler, Bruce A

2011-07-15

Exposure to chemical mixtures is a common and important determinant of toxicity and is of particular concern due to their appearance in sources of drinking water. Despite this, few in vivo mixture studies have been conducted to date to understand the health impact of chemical mixtures compared to single chemicals. Interactive effects of lead (Pb), cadmium (Cd) and arsenic (As) were evaluated in 30-, 90-, and 180-day factorial design drinking water studies in rats designed to test the hypothesis that ingestion of such mixtures at individual component Lowest-Observed-Effect-Levels (LOELs) results in increased levels of the pro-oxidant delta aminolevulinic acid (ALA), iron, and copper. LOEL levels of Pb, Cd, and As mixtures resulted in the increased presence of mediators of oxidative stress such as ALA, copper, and iron. ALA increases were followed by statistically significant increases in kidney copper in the 90- and 180-day studies. Statistical evidence of interaction was identified for six biologically relevant variables: blood delta aminolevulinic acid dehydratase (ALAD), kidney ALAD, urinary ALA, urinary iron, kidney iron, and kidney copper. The current investigations underscore the importance of considering interactive effects that common toxic agents such as Pb, Cd, and As may have upon one another at low-dose levels. The interactions between known toxic trace elements at biologically relevant concentrations shown here demonstrate a clear need to rigorously review methods by which national/international agencies assess health risks of chemicals, since exposures may commonly occur as complex mixtures. Copyright © 2011. Published by Elsevier Inc.

Flow-dependent porosity and other biomechanical properties of mysticete baleen.

PubMed

Werth, Alexander J

2013-04-01

Despite its vital function in a highly dynamic environment, baleen is typically assumed to be a static material. Its biomechanical and material properties have not previously been explored. Thus I tested sections of baleen from bowhead whales, Balaena mysticetus, and humpback whales, Megaptera novaeangliae, alone or in groups representing miniature 'racks', in a flow tank through which water and buoyant particles circulated with variable flow velocity. Kinematic sequences were recorded through an endoscopic camera or viewing window. One set of experiments investigated particle capture; another series analyzed biomechanical behavior, including fringe spacing, movement and interaction. Baleen fringe porosity directly correlates, in a mostly linear fashion, with velocity of incident water flow. However, undulation and interaction of fringes (especially of bowheads) at higher flow velocities can decrease porosity. Fringe porosity depends on distance from the baleen plate. Porosity also varies, with fringe length, by position along the length of an individual plate. Plate orientation, which varied from 0 to 90 deg relative to water flow, is crucial in fringe spacing and particle capture. At all flow velocities, porosity is lowest with plates aligned parallel to water flow. Turbulence introduced when plates rotate perpendicular to flow (as in cross-flow filtration) increases fringe interaction, so that particles more easily strike fringes yet more readily dislodge. Baleen of bowhead whales, which feed by continuous ram filtration, differs biomechanically from that of humpbacks, which use intermittent lunge filtration. The longer, finer fringes of bowhead baleen readily form a mesh-like mat, especially at higher flow velocities, to trap tiny particles.

Simulating the Yield Impacts of Organ-Level Quantitative Trait Loci Associated With Drought Response in Maize: A “Gene-to-Phenotype” Modeling Approach

PubMed Central

Chenu, Karine; Chapman, Scott C.; Tardieu, François; McLean, Greg; Welcker, Claude; Hammer, Graeme L.

2009-01-01

Under drought, substantial genotype–environment (G × E) interactions impede breeding progress for yield. Identifying genetic controls associated with yield response is confounded by poor genetic correlations across testing environments. Part of this problem is related to our inability to account for the interplay of genetic controls, physiological traits, and environmental conditions throughout the crop cycle. We propose a modeling approach to bridge this “gene-to-phenotype” gap. For maize under drought, we simulated the impact of quantitative trait loci (QTL) controlling two key processes (leaf and silk elongation) that influence crop growth, water use, and grain yield. Substantial G × E interaction for yield was simulated for hypothetical recombinant inbred lines (RILs) across different seasonal patterns of drought. QTL that accelerated leaf elongation caused an increase in crop leaf area and yield in well-watered or preflowering water deficit conditions, but a reduction in yield under terminal stresses (as such “leafy” genotypes prematurely exhausted the water supply). The QTL impact on yield was substantially enhanced by including pleiotropic effects of these QTL on silk elongation and on consequent grain set. The simulations obtained illustrated the difficulty of interpreting the genetic control of yield for genotypes influenced only by the additive effects of QTL associated with leaf and silk growth. The results highlight the potential of integrative simulation modeling for gene-to-phenotype prediction and for exploiting G × E interactions for complex traits such as drought tolerance. PMID:19786622

Interactions between groundwater and surface water: The state of the science

USGS Publications Warehouse

Sophocleous, M.

2002-01-01

The interactions between groundwater and surface water are complex. To understand these interactions in relation to climate, landform, geology, and biotic factors, a sound hydrogeoecological framework is needed. All these aspects are synthesized and exemplified in this overview. In addition, the mechanisms of interactions between groundwater and surface water (GW-SW) as they affect recharge-discharge processes are comprehensively outlined, and the ecological significance and the human impacts of such interactions are emphasized. Surface-water and groundwater ecosystems are viewed as linked components of a hydrologic continuum leading to related sustainability issues. This overview concludes with a discussion of research needs and challenges facting this evolving field. The biogeochemical processes within the upper few centimeters of sediments beneath nearly all surface-water bodies (hyporheic zone) have a profound effect on the chemistry of the water interchange, and here is where most of the recent research has been focusing. However, to advance conceptual and other modeling of GW-SW systems, a broader perspective of such interactions across and between surface-water bodies is needed, including multidimensional analyses, interface hydraulic characterization and spatial variability, site-to-region regionalization approaches, as well as cross-disciplinary collaborations.

Interaction between ionic liquid cation and water: Infrared predissociation study of [bmim] +·(H 2O) n clusters

DOE PAGES

Voss, Jonathan M.; Marsh, Brett M.; Zhou, Jia; ...

2016-06-29

The infrared predissociation spectra of [bmim] +·(H 2O) n, n = 1–8, in the 2800–3800 cm –1 region are presented and analyzed with the help of electronic structure calculations. The results show that the water molecules solvate [bmim]+ by predominately interacting with the imidazolium C2–H moiety for the small n = 1 and 2 clusters. This is characterized by a redshifted and relatively intense C2–H stretch. For n ≥ 4 clusters, hydrogen-bond interactions between the water molecules drive the formation of ring isomers which interact on top of the imidazolium ring without any direct interaction with the C2–H. The watermore » arrangement in [bmim]+·(H 2O) n is similar to the low energy isomers of neutral water clusters up to the n = 6 cluster. This is not the case for the n = 8 cluster, which has the imidazolium ring disrupting the otherwise preferred cubic water structure. Here, the evolution of the solvation network around [bmim]+ illustrates the competing [bmim]+–water and water–water interactions.« less

Modelling Per Capita Water Demand Change to Support System Planning

NASA Astrophysics Data System (ADS)

Garcia, M. E.; Islam, S.

2016-12-01

Water utilities have a number of levers to influence customer water usage. These include levers to proactively slow demand growth over time such as building and landscape codes as well as levers to decrease demands quickly in response to water stress including price increases, education campaigns, water restrictions, and incentive programs. Even actions aimed at short term reductions can result in long term water usage declines when substantial changes are made in water efficiency, as in incentives for fixture replacement or turf removal, or usage patterns such as permanent lawn watering restrictions. Demand change is therefore linked to hydrological conditions and to the effects of past management decisions - both typically included in water supply planning models. Yet, demand is typically incorporated exogenously using scenarios or endogenously using only price, though utilities also use rules and incentives issued in response to water stress and codes specifying standards for new construction to influence water usage. Explicitly including these policy levers in planning models enables concurrent testing of infrastructure and policy strategies and illuminates interactions between the two. The City of Las Vegas is used as a case study to develop and demonstrate this modeling approach. First, a statistical analysis of system data was employed to rule out alternate hypotheses of per capita demand decrease such as changes in population density and economic structure. Next, four demand sub-models were developed including one baseline model in which demand is a function of only price. The sub-models were then calibrated and tested using monthly data from 1997 to 2012. Finally, the best performing sub-model was integrated with a full supply and demand model. The results highlight the importance of both modeling water demand dynamics endogenously and taking a broader view of the variables influencing demand change.

Ecotoxicity of waste water from industrial fires fighting

NASA Astrophysics Data System (ADS)

Dobes, P.; Danihelka, P.; Janickova, S.; Marek, J.; Bernatikova, S.; Suchankova, J.; Baudisova, B.; Sikorova, L.; Soldan, P.

2012-04-01

As shown at several case studies, waste waters from extinguishing of industrial fires involving hazardous chemicals could be serious threat primary for surrounding environmental compartments (e.g. surface water, underground water, soil) and secondary for human beings, animals and plants. The negative impacts of the fire waters on the environment attracted public attention since the chemical accident in the Sandoz (Schweizerhalle) in November 1986 and this process continues. Last October, special Seminary on this topic has been organized by UNECE in Bonn. Mode of interaction of fire waters with the environment and potential transport mechanisms are still discussed. However, in many cases waste water polluted by extinguishing foam (always with high COD values), flammable or toxic dangerous substances as heavy metals, pesticides or POPs, are released to surface water or soil without proper decontamination, which can lead to environmental accident. For better understanding of this type of hazard and better coordination of firemen brigades and other responders, the ecotoxicity of such type of waste water should be evaluated in both laboratory tests and in water samples collected during real cases of industrial fires. Case studies, theoretical analysis of problem and toxicity tests on laboratory model samples (e.g. on bacteria, mustard seeds, daphnia and fishes) will provide additional necessary information. Preliminary analysis of waters from industrial fires (polymer material storage and galvanic plating facility) in the Czech Republic has already confirmed high toxicity. In first case the toxicity may be attributed to decomposition of burned material and extinguishing foams, in the latter case it can be related to cyanides in original electroplating baths. On the beginning of the year 2012, two years R&D project focused on reduction of extinguish waste water risk for the environment, was approved by Technology Agency of the Czech Republic.

Factors that affect proliferation of Salmonella in tomatoes post-harvest: the roles of seasonal effects, irrigation regime, crop and pathogen genotype.

PubMed

Marvasi, Massimiliano; Hochmuth, George J; Giurcanu, Mihai C; George, Andrée S; Noel, Jason T; Bartz, Jerry; Teplitski, Max

2013-01-01

Fresh fruits and vegetables become increasingly recognized as vehicles of human salmonellosis. Physiological, ecological, and environmental factors are all thought to contribute to the ability of Salmonella to colonize fruits and vegetables pre- and post-harvest. The goal of this study was to test how irrigation levels, fruit water congestion, crop and pathogen genotypes affect the ability of Salmonella to multiply in tomatoes post-harvest. Fruits from three tomato varieties, grown over three production seasons in two Florida locations, were infected with seven strains of Salmonella and their ability to multiply post-harvest in field-grown tomatoes was tested. The field experiments were set up as a two-factor factorial split plot experiment, with the whole-plot treatments arranged in a randomized complete-block design. The irrigation treatment (at three levels) was the whole-plot factor, and the split-plot factor was tomato variety, with three levels. The significance of the main, two-way, and three-way interaction effects was tested using the (type III) F-tests for fixed effects. Mean separation for each significant fixed effect in the model was performed using Tukey's multiple comparison testing procedure. The irrigation regime per se did not affect susceptibility of the crop to post-harvest proliferation of Salmonella. However, Salmonella grew significantly better in water-congested tissues of green tomatoes. Tomato maturity and genotype, Salmonella genotype, and inter-seasonal differences were the strongest factors affecting proliferation. Red ripe tomatoes were significantly and consistently more conducive to proliferation of Salmonella. Tomatoes harvested in the driest, sunniest season were the most conducive to post-harvest proliferation of the pathogen. Statistically significant interactions between production conditions affected post-harvest susceptibility of the crop to the pathogen. UV irradiation of tomatoes post-harvest promoted Salmonella growth.

Unravelling the limits to tree height: a major role for water and nutrient trade-offs.

PubMed

Cramer, Michael D

2012-05-01

Competition for light has driven forest trees to grow exceedingly tall, but the lack of a single universal limit to tree height indicates multiple interacting environmental limitations. Because soil nutrient availability is determined by both nutrient concentrations and soil water, water and nutrient availabilities may interact in determining realised nutrient availability and consequently tree height. In SW Australia, which is characterised by nutrient impoverished soils that support some of the world's tallest forests, total [P] and water availability were independently correlated with tree height (r = 0.42 and 0.39, respectively). However, interactions between water availability and each of total [P], pH and [Mg] contributed to a multiple linear regression model of tree height (r = 0.72). A boosted regression tree model showed that maximum tree height was correlated with water availability (24%), followed by soil properties including total P (11%), Mg (10%) and total N (9%), amongst others, and that there was an interaction between water availability and total [P] in determining maximum tree height. These interactions indicated a trade-off between water and P availability in determining maximum tree height in SW Australia. This is enabled by a species assemblage capable of growing tall and surviving (some) disturbances. The mechanism for this trade-off is suggested to be through water enabling mass-flow and diffusive mobility of P, particularly of relatively mobile organic P, although water interactions with microbial activity could also play a role.

Multimodeling Framework for Predicting Water Quality in Fragmented Agriculture-Forest Ecosystems

NASA Astrophysics Data System (ADS)

Rose, J. B.; Guber, A.; Porter, W. F.; Williams, D.; Tamrakar, S.; Dechen Quinn, A.

2012-12-01

Both livestock and wildlife are major contributors of nonpoint pollution of surface water bodies. The interactions among them can substantially increase the chance of contamination especially in fragmented agriculture-forest landscapes, where wildlife (e.g. white tailed deer) can transmit diseases between remote farms. Unfortunately, models currently available for predicting fate and transport of microorganisms in these ecosystems do not account for such interactions. The objectives of this study are to develop and test a multimodeling framework that assesses the risk of microbial contamination of surface water caused by wildlife-livestock interactions in fragmented agriculture-forest ecosystems. The framework consists of a modified Soil Water Assessment Tool (SWAT), KINematic Runoff and EROSion model (KINEROS2) with the add-on module STWIR (Microorganism Transport with Infiltration and Runoff), RAMAS GIS, SIR compartmental model and Quantitative Microbial Risk Assessment model (QMRA). The watershed-scale model SWAT simulates plant biomass growth, wash-off of microorganisms from foliage and soil, overland and in-stream microbial transport, microbial growth, and die-off in foliage and soil. RAMAS GIS model predicts the most probable habitat and subsequent population of white-tailed deer based on land use and crop biomass. KINEROS-STWIR simulates overland transport of microorganisms released from soil, surface applied manure, and fecal deposits during runoff events at high temporal and special resolutions. KINEROS-STWIR and RAMAS GIS provide input for an SIR compartmental model which simulates disease transmission within and between deer groups. This information is used in SWAT model to account for transmission and deposition of pathogens by white tailed deer in stream water, foliage and soil. The QMRA approach extends to microorganisms inactivated in forage and water consumed by deer. Probabilities of deer infections and numbers of infected animals are computed based on a dose-response approach, including Beta Poisson and Maximum Risk models, which take into account pathogen variation in infectivity. An example of the Multimodeling framework performance for a fragmented agriculture-forest ecosystem will be shown in the presentation.

The Relative Influence of H2O and CO2 on the Primitive Surface Conditions and Evolution of Rocky Planets

NASA Astrophysics Data System (ADS)

Salvador, A.; Massol, H.; Davaille, A.; Marcq, E.; Sarda, P.; Chassefiere, E.

2016-12-01

Recent literature reveals how different the telluric planets' water content can be, depending on the formation processes and origins of water. Furthermore, for Earth mass planets, estimates of their atmospheric water content range between 0.3 to 1000 water oceans. We simulate the secular convective cooling and solidification of a 1D magma ocean (hereafter "MO") in interaction with the outgassed atmosphere. We vary the initial CO2 and H2O contents (respectively from 0.1×10-2 to 14×10-2wt% and from 0.05 to 2.2 times the Earth Ocean current mass (MEO)), the solar distance - from 0.63 to 1.30 AU -, the radiative heat transfer in the atmosphere (grey or non-grey, with or without clouds) and investigate the relative influence of these parameters on an Earth like planet's surface conditions at the MO phase term, and especially its ability to form a water ocean. We define the end of the MO as the time when the heat flux from the vigorous convecting mantle becomes negligible compared to the incident solar flux, linked to the dramatic increase of viscosity as the MO solidification reaches the surface, which considerably reduces the convection intensity and the heat transfer. This particular time coincides with the possible apparition of a water ocean and with the development of a thermal boundary layer at the surface, thick enough to limit the interactions between the two reservoirs. As a first step, we assume a bottom-up solidification of the MO. The planetary surface pressure-temperature conditions, resulting from the solidification, are conditioned by the sun-planet distance and the initial CO2 and H2O contents. There is a critical sun-planet distance Rc below which water will never condense, whatever the initial volatile content. For distances larger than Rc, water condensation strongly depends on the relative proportion of CO2 and H2O. The higher the H2O content, the easier it is to reach the equilibrium water vapor pressure and therefore to condense water, for the tested range of CO2 contents. Otherwise, for [H2O]t0<1.8 MEO , too much CO2 precludes the formation of a water ocean by greenhouse effect. In order to study exoplanets surface conditions, and the wide diversity of these gas rich extrasolar worlds, we propose a simple scaling law to explain the relative influence of the tested parameters on the water condensation.

Dynamic Modeling of Process Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin E.; Anderson, Molly S.

2012-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents dynamic simulations of chemical process for primary processor technologies including: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system, the Wiped-Film Rotating Disk (WFRD), and post-distillation water polishing processes such as the Volatiles Removal Assembly (VRA). These dynamic models were developed using the Aspen Custom Modeler (Registered TradeMark) and Aspen Plus(Registered TradeMark) process simulation tools. The results expand upon previous work for water recovery technology models and emphasize dynamic process modeling and results. The paper discusses system design, modeling details, and model results for each technology and presents some comparisons between the model results and available test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Flow-visualization study of the X-29A aircraft at high angles of attack using a 1/48-scale model

NASA Technical Reports Server (NTRS)

Cotton, Stacey J.; Bjarke, Lisa J.

1994-01-01

A water-tunnel study on a 1/48-scale model of the X-29A aircraft was performed at the NASA Dryden Flow Visualization Facility. The water-tunnel test enhanced the results of the X-29A flight tests by providing flow-visualization data for comparison and insights into the aerodynamic characteristics of the aircraft. The model was placed in the water tunnel at angles of attack of 20 to 55 deg. and with angles of sideslip from 0 to 5 deg. In general, flow-visualization techniques provided useful information on vortex formation, separation, and breakdown and their role in yaw asymmetries and tail buffeting. Asymmetric forebody vortices were observed at angles of attack greater than 30 deg. with 0 deg. sideslip and greater than 20 deg. with 5 deg. sideslip. While the asymmetric flows observed in the water tunnel did not agree fully with the flight data, they did show some of the same trends. In addition, the flow visualization indicated that the interaction of forebody vortices and the wing wake at angles of attack between 20 and 35 deg. may cause vertical-tail buffeting observed in flight.

Thermodynamic and Structural Properties of Methanol-Water Solutions Using Non-Additive Interaction Models

PubMed Central

Zhong, Yang; Warren, G. Lee; Patel, Sandeep

2014-01-01

We study bulk structural and thermodynamic properties of methanol-water solutions via molecular dynamics simulations using novel interaction potentials based on the charge equilibration (fluctuating charge) formalism to explicitly account for molecular polarization at the atomic level. The study uses the TIP4P-FQ potential for water-water interactions, and the CHARMM-based (Chemistry at HARvard Molecular Mechanics) fluctuating charge potential for methanol-methanol and methanol-water interactions. In terms of bulk solution properties, we discuss liquid densities, enthalpies of mixing, dielectric constants, self-diffusion constants, as well as structural properties related to local hydrogen bonding structure as manifested in radial distribution functions and cluster analysis. We further explore the electronic response of water and methanol in the differing local environments established by the interaction of each species predominantly with molecules of the other species. The current force field for the alcohol-water interaction performs reasonably well for most properties, with the greatest deviation from experiment observed for the excess mixing enthalpies, which are predicted to be too favorable. This is qualitatively consistent with the overestimation of the methanol-water gas-phase interaction energy for the lowest-energy conformer (methanol as proton donor). Hydration free energies for methanol in TIP4P-FQ water are predicted to be −5.6±0.2 kcal/mole, in respectable agreement with the experimental value of −5.1 kcal/mole. With respect to solution micro-structure, the present cluster analysis suggests that the micro-scale environment for concentrations where select thermodynamic quantities reach extremal values is described by a bi-percolating network structure. PMID:18074339

Water as a matrix for life

NASA Technical Reports Server (NTRS)

Pohorille, Andrew

2005-01-01

Life is based on non-covalent interactions. They might be either specific (enzyme-substrate interactions, selective ion transport) or nonspecific (lipid-lipid and lipid-protein interactions needed for membrane integrity, fusion and division). Their strength needs to be properly tuned, and this is mediated by the solvent. If interactions are too weak, there might be undesired response to natural fluctuations of physical and chemical parameters. If they are too strong it could impede kinetics and energetics of cellular processes. Thus, the solvent must allow for balancing these interactions. Physical and chemical properties of solvent provide strong constraints for life. Water exhibits a remarkable trait that it promotes both solvophobic and solvophilic interactions. Solvophobic interactions; related to high dielectric constant of the solvent) are necessary for self-organization of matter whereas solvophilic interactions are needed to ensure solubility of polar species. Water offers a large temperature domain of stable liquid and the characteristics hydrophobic effects are a consequence of the temperature in sensitivity of essential properties of its liquid state. Water, however, is not the only liquid with these favorable properties. I will compare in detail properties of water and other pure liquids or their mixtures that have a high dielectric constant and simultaneously support self-organization. I will also discuss properties of water that are unfavorable to life (e.g. its chemical activity against polymerization reactions) and close with summarizing what are alternatives to water as a matrix of life in space.

Shifting species interactions in terrestrial dryland ecosystems under altered water availability and climate change

USGS Publications Warehouse

McCluney, Kevin E.; Belnap, Jayne; Collins, Scott L.; González, Angélica L.; Hagen, Elizabeth M.; Holland, J. Nathaniel; Kotler, Burt P.; Maestre, Fernando T.; Smith, Stanley D.; Wolf, Blair O.

2012-01-01

Species interactions play key roles in linking the responses of populations, communities, and ecosystems to environmental change. For instance, species interactions are an important determinant of the complexity of changes in trophic biomass with variation in resources. Water resources are a major driver of terrestrial ecology and climate change is expected to greatly alter the distribution of this critical resource. While previous studies have documented strong effects of global environmental change on species interactions in general, responses can vary from region to region. Dryland ecosystems occupy more than one-third of the Earth's land mass, are greatly affected by changes in water availability, and are predicted to be hotspots of climate change. Thus, it is imperative to understand the effects of environmental change on these globally significant ecosystems. Here, we review studies of the responses of population-level plant-plant, plant-herbivore, and predator-prey interactions to changes in water availability in dryland environments in order to develop new hypotheses and predictions to guide future research. To help explain patterns of interaction outcomes, we developed a conceptual model that views interaction outcomes as shifting between (1) competition and facilitation (plant-plant), (2) herbivory, neutralism, or mutualism (plant-herbivore), or (3) neutralism and predation (predator-prey), as water availability crosses physiological, behavioural, or population-density thresholds. We link our conceptual model to hypothetical scenarios of current and future water availability to make testable predictions about the influence of changes in water availability on species interactions. We also examine potential implications of our conceptual model for the relative importance of top-down effects and the linearity of patterns of change in trophic biomass with changes in water availability. Finally, we highlight key research needs and some possible broader impacts of our findings. Overall, we hope to stimulate and guide future research that links changes in water availability to patterns of species interactions and the dynamics of populations and communities in dryland ecosystems.

Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems.

PubMed

Sokkar, Pandian; Boulanger, Eliot; Thiel, Walter; Sanchez-Garcia, Elsa

2015-04-14

We present a hybrid quantum mechanics/molecular mechanics/coarse-grained (QM/MM/CG) multiresolution approach for solvated biomolecular systems. The chemically important active-site region is treated at the QM level. The biomolecular environment is described by an atomistic MM force field, and the solvent is modeled with the CG Martini force field using standard or polarizable (pol-CG) water. Interactions within the QM, MM, and CG regions, and between the QM and MM regions, are treated in the usual manner, whereas the CG-MM and CG-QM interactions are evaluated using the virtual sites approach. The accuracy and efficiency of our implementation is tested for two enzymes, chorismate mutase (CM) and p-hydroxybenzoate hydroxylase (PHBH). In CM, the QM/MM/CG potential energy scans along the reaction coordinate yield reaction energies that are too large, both for the standard and polarizable Martini CG water models, which can be attributed to adverse effects of using large CG water beads. The inclusion of an atomistic MM water layer (10 Å for uncharged CG water and 5 Å for polarizable CG water) around the QM region improves the energy profiles compared to the reference QM/MM calculations. In analogous QM/MM/CG calculations on PHBH, the use of the pol-CG description for the outer water does not affect the stabilization of the highly charged FADHOOH-pOHB transition state compared to the fully atomistic QM/MM calculations. Detailed performance analysis in a glycine-water model system indicates that computation times for QM energy and gradient evaluations at the density functional level are typically reduced by 40-70% for QM/MM/CG relative to fully atomistic QM/MM calculations.

A 2H nuclear magnetic resonance study of the state of water in neat silica and zwitterionic stationary phases and its influence on the chromatographic retention characteristics in hydrophilic interaction high-performance liquid chromatography.

PubMed

Wikberg, Erika; Sparrman, Tobias; Viklund, Camilla; Jonsson, Tobias; Irgum, Knut

2011-09-23

2H NMR has been used as a tool for probing the state of water in hydrophilic stationary phases for liquid chromatography at temperatures between -80 and +4 °C. The fraction of water that remained unfrozen in four different neat silicas with nominal pore sizes between 60 and 300 Å, and in silicas with polymeric sulfobetaine zwitterionic functionalities prepared in different ways, could be determined by measurements of the line widths and temperature-corrected integrals of the 2H signals. The phase transitions detected during thawing made it possible to estimate the amount of non-freezable water in each phase. A distinct difference was seen between the neat and modified silicas tested. For the neat silicas, the relationship between the freezing point depression and their pore size followed the expected Gibbs-Thomson relationship. The polymeric stationary phases were found to contain considerably higher amounts of non-freezable water compared to the neat silica, which is attributed to the structural effect that the sulfobetaine polymers have on the water layer close to the stationary phase surface. The sulfobetaine stationary phases were used alongside the 100 Å silica to separate a number of polar compounds in hydrophilic interaction (HILIC) mode, and the retention characteristics could be explained in terms of the surface water structure, as well as by the porous properties of the stationary phases. This provides solid evidence supporting a partitioning mechanism, or at least of the existence of an immobilized layer of water into which partitioning could be occurring. Copyright © 2011 Elsevier B.V. All rights reserved.

Baseflow response to climate variability induced droughts in the Apalachicola-Chattahoochee-Flint River Basin, U.S.A.

NASA Astrophysics Data System (ADS)

Singh, Sarmistha; Srivastava, Puneet; Abebe, Ash; Mitra, Subhasis

2015-09-01

Droughts have been a major factor leading to the Tri-State Water Wars in the southeastern United States. One of the primary issues related to the conflict is the reduction in baseflow levels in the Flint River during droughts. This affects the availability of freshwater resources to support the endangered mussel species in the Flint and Apalachicola Rivers and threatens the shellfish industry in the Apalachicola Bay. Study of large-scale climate phenomena as well as the interactions of interannual with decadal and multidecadal oceanic-atmospheric phenomena can provide valuable information regarding regional climatic conditions such as droughts and their impact on water resources. This study was conducted to quantify the impacts of climate variability cycles on baseflow levels in the Flint River. The individual and coupled impacts of the El Niño-Southern Oscillation (ENSO), Pacific Decadal Oscillation (PDO), Atlantic Multidecadal Oscillation (AMO), and North Atlantic Oscillation (NAO) on baseflow were quantified. The non-parametric Joint Rank Fit (JRFit) procedure was used to provide a robust test of the significance of interactions between the phases of ENSO-PDO, ENSO-AMO and ENSO-NAO baseflows. Simple-main effect comparisons were also performed using the JRFit model to estimate significant difference between the positive and negative phase baseflows of PDO, AMO and NAO associated with El Niño or La Niña phases. The results indicate that the phases of ENSO, AMO and NAO significantly affect baseflows in the Flint River. Interaction tests showed that the PDO and AMO phases modulate ENSO phase baseflows. La Niña associated with positive phases of PDO and AMO resulted in greater decrease in baseflow levels of approximately 28% and 33%, respectively. However, La Niña associated with negative phase of AMO showed above normal baseflows. The results illustrate the importance of coupled analyses of climate variability by providing a better understanding of the severity of droughts and their impact on baseflows. The results obtained from this study can be used by water managers in the region as a guide for the issuance of drought severity-based water restrictions.

Molecular dynamics approach to probe PKCβII-ligand interactions and influence of crystal water molecules on these interactions.

PubMed

Grewal, Baljinder K; Bhat, Jyotsna; Sobhia, Masilamani Elizabeth

2015-01-01

PKCβII is a potential target for therapeutic intervention against pandemic diabetic complications. Present study probes the molecular interactions of PKCβII with its clinically important ligands, viz. ruboxistaurin, enzastaurin and co-crystallized ligand, 2-methyl-1H-indol-3-yl-BIM-1. The essentials of PKCβII-ligand interaction, crystal water-induced alterations in these interactions and key interacting flexible residues are analyzed. Computational methodologies, viz. molecular docking and molecular simulation coupled with molecular mechanics-Poisson-Boltzmann surface area and generalized born surface area (MM-PB[GB]SA) are employed. The structural changes in the presence and absence of crystal water molecules in PKCβII ATP binding site residues, and its interaction with bound ligand, are identified. Difference in interaction of selective and nonselective ligand with ATP binding site residues of PKCβII is reported. The study showed that the nonbonding interactions contribute significantly in PKCβII-ligand binding and presence of crystal water molecules affects the interactions. The findings of present work may integrate the new aspects in the drug design process of PKCβII inhibitors.

Special features of high-speed interaction of supercavitating solids in water

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

Ishchenko, Aleksandr, E-mail: ichan@niipmm.tsu.ru; Afanas’eva, Svetlana, E-mail: s.a.afanasyeva@mail.ru; Burkin, Viktor, E-mail: v.v.burkin@mail.ru

Special features of material behavior of a supercavitating projectile are investigated at various initial velocities of entering water on the basis of the developed stress-strain state model with possibility of destruction of solids when moving in water and interacting with various underwater barriers with the use of consistent methodological approach of mechanics of continuous media. The calculation-experimental method was used to study the modes of motion of supercavitating projectiles at sub- and supersonic velocities in water medium after acceleration in the barrelled accelerator, as well as their interaction with barriers. Issues of stabilization of the supercavitating projectile on the initialmore » flight path in water were studied. Microphotographs of state of solids made of various materials, before and after interaction with water, at subsonic and supersonic velocities were presented. Supersonic velocity of the supercavitating projectile motion in water of 1590 m/s was recorded.« less

Special features of high-speed interaction of supercavitating solids in water

NASA Astrophysics Data System (ADS)

Ishchenko, Aleksandr; Akinshin, Ruslan; Afanas'eva, Svetlana; Borisenkov, Igor; Burkin, Viktor; Diachkovskii, Aleksei; Korolkov, Leonid; Moiseev, Dmitrii; Khabibullin, Marat

2016-01-01

Special features of material behavior of a supercavitating projectile are investigated at various initial velocities of entering water on the basis of the developed stress-strain state model with possibility of destruction of solids when moving in water and interacting with various underwater barriers with the use of consistent methodological approach of mechanics of continuous media. The calculation-experimental method was used to study the modes of motion of supercavitating projectiles at sub- and supersonic velocities in water medium after acceleration in the barrelled accelerator, as well as their interaction with barriers. Issues of stabilization of the supercavitating projectile on the initial flight path in water were studied. Microphotographs of state of solids made of various materials, before and after interaction with water, at subsonic and supersonic velocities were presented. Supersonic velocity of the supercavitating projectile motion in water of 1590 m/s was recorded.

Analytical theory of the hydrophobic effect of solutes in water.

PubMed

Urbic, Tomaz; Dill, Ken A

2017-09-01

We develop an analytical statistical-mechanical model for hydrophobic solvation in water. In this three-dimensional Mercedes-Benz-like model, two neighboring waters have three possible interaction states: a radial van der Waals interaction, a tetrahedral orientation-dependent hydrogen-bonding interaction, or no interaction. Nonpolar solutes are modeled as van der Waals particles of different radii. The model is sufficiently simple that we can calculate the partition function and thermal and volumetric properties of solvation versus temperature, pressure, and solute radius. Predictions are in good agreement with results of Monte Carlo simulations. And their trends agree with experiments on hydrophobic solute insertion. The theory shows that first-shell waters are more highly structured than bulk waters, because of hydrogen bonding, and that that structure melts out faster with temperature than it does in bulk waters. Because the theory is analytical, it can explore a broad range of solvation properties and anomalies of water, at minimal computational expense.

Analytical theory of the hydrophobic effect of solutes in water

NASA Astrophysics Data System (ADS)

Urbic, Tomaz; Dill, Ken A.

2017-09-01

We develop an analytical statistical-mechanical model for hydrophobic solvation in water. In this three-dimensional Mercedes-Benz-like model, two neighboring waters have three possible interaction states: a radial van der Waals interaction, a tetrahedral orientation-dependent hydrogen-bonding interaction, or no interaction. Nonpolar solutes are modeled as van der Waals particles of different radii. The model is sufficiently simple that we can calculate the partition function and thermal and volumetric properties of solvation versus temperature, pressure, and solute radius. Predictions are in good agreement with results of Monte Carlo simulations. And their trends agree with experiments on hydrophobic solute insertion. The theory shows that first-shell waters are more highly structured than bulk waters, because of hydrogen bonding, and that that structure melts out faster with temperature than it does in bulk waters. Because the theory is analytical, it can explore a broad range of solvation properties and anomalies of water, at minimal computational expense.

Arctic Ocean outflow and glacier-ocean interactions modify water over the Wandel Sea shelf (northeastern Greenland)

NASA Astrophysics Data System (ADS)

Dmitrenko, Igor A.; Kirillov, Sergey A.; Rudels, Bert; Babb, David G.; Toudal Pedersen, Leif; Rysgaard, Søren; Kristoffersen, Yngve; Barber, David G.

2017-12-01

The first-ever conductivity-temperature-depth (CTD) observations on the Wandel Sea shelf in northeastern Greenland were collected in April-May 2015. They were complemented by CTDs taken along the continental slope during the Norwegian FRAM 2014-2015 drift. The CTD profiles are used to reveal the origin of water masses and interactions with ambient water from the continental slope and the tidewater glacier outlet. The subsurface water is associated with the Pacific water outflow from the Arctic Ocean. The underlying halocline separates the Pacific water from a deeper layer of polar water that has interacted with the warm Atlantic water outflow through the Fram Strait, recorded below 140 m. Over the outer shelf, the halocline shows numerous cold density-compensated intrusions indicating lateral interaction with an ambient polar water mass across the continental slope. At the front of the tidewater glacier outlet, colder and turbid water intrusions were observed at the base of the halocline. On the temperature-salinity plots these stations indicate a mixing line that is different from the ambient water and seems to be conditioned by the ocean-glacier interaction. Our observations of Pacific water are set within the context of upstream observations in the Beaufort Sea and downstream observations from the Northeast Water Polynya, and clearly show the modification of Pacific water during its advection across the Arctic Ocean. Moreover, ambient water over the Wandel Sea slope shows different thermohaline structures indicating the different origin and pathways of the on-shore and off-shore branches of the Arctic Ocean outflow through the western Fram Strait.

Antimicrobial activity of ProRoot MTA in contact with blood

PubMed Central

Farrugia, C.; Baca, P.; Camilleri, J.; Arias Moliz, M. T.

2017-01-01

Dental materials based on Portland cement, which is used in the construction industry have gained popularity for clinical use due to their hydraulic properties, the interaction with tooth tissue and their antimicrobial properties. The antimicrobial properties are optimal in vitro. However in clinical use contact with blood may affect the antimicrobial properties. This study aims to assess whether antimicrobial properties of the Portland cement-based dental cements such as mineral trioxide aggregate (MTA) are also affected by contact with blood present in clinical situations. ProRoot MTA, a Portland cement-based dental cement was characterized following contact with water, or heparinized blood after 1 day and 7 days aging. The antimicrobial activity under the mentioned conditions was assessed using 3 antimicrobial tests: agar diffusion test, direct contact test and intratubular infection test. MTA in contact with blood was severely discoloured, exhibited an additional phosphorus peak in elemental analysis, no calcium hydroxide peaks and no areas of bacterial inhibition growth in the agar diffusion test were demonstrated. ProRoot MTA showed limited antimicrobial activity, in both the direct contact test and intratubular infection test. When aged in water ProRoot MTA showed higher antimicrobial activity than when aged in blood. Antimicrobial activity reduced significantly after 7 days. Further assessment is required to investigate behaviour in clinical situations. PMID:28128328

Effects of functionalization of carbon nanotubes on their dispersion in an ethylene glycol-water binary mixture--a molecular dynamics and ONIOM investigation.

PubMed

Balamurugan, Kanagasabai; Baskar, Prathab; Kumar, Ravva Mahesh; Das, Sumitesh; Subramanian, Venkatesan

2014-11-28

The present work utilizes classical molecular dynamics simulations to investigate the covalent functionalization of carbon nanotubes (CNTs) and their interaction with ethylene glycol (EG) and water molecules. The MD simulation reveals the dispersion of functionalized carbon nanotubes and the prevention of aggregation in aqueous medium. Further, residue-wise radial distribution function (RRDF) and atomic radial distribution function (ARDF) calculations illustrate the extent of interaction of -OH and -COOH functionalized CNTs with water molecules and the non-functionalized CNT surface with EG. As the presence of the number of functionalized nanotubes increases, enhancement in the propensity for the interaction with water molecules can be observed. However, the same trend decreases for the interaction of EG molecules. In addition, the ONIOM (M06-2X/6-31+G**:AM1) calculations have also been carried out on model systems to quantitatively determine the interaction energy (IE). It is found from these calculations that the relative enhancement in the interaction of water molecules with functionalized CNTs is highly favorable when compared to the interaction of EG.

Interaction of a liquid jet with an oncoming gas stream

NASA Astrophysics Data System (ADS)

Koval', M. A.; Shvets, A. I.

1987-06-01

Wind-tunnel tests were carried out to study the interaction between water jets issuing from various types of nozzles (including cylindrical) and subsonic and supersonic air streams with Mach numbers from 0.3 to 3 and Reynolds numbers from 1 x 10 to the 6th to 3 x 10 to the 7th. The following interaction structure was observed: (1) at moderate outflow velocities, the liquid jet has an extended region, which subsequently expands abruptly as a spherical or mushroom-shaped drop; (2) this drop is atomized in the peripheral region and is carried away as a gas-liquid mixture; (3) a shock wave is formed in front of the jet in the oncoming supersonic stream; and (4) a separated flow region is present in the vicinity of the cylindrical nozzle section.

Imbalance in Groundwater-Surface Water Interactions and its Relationship to the Coastal Zone Hazards

NASA Astrophysics Data System (ADS)

Kontar, Y. A.; Ozorovich, Y. R.; Salokhiddinov, A. T.

2011-12-01

We report here some efforts and results in studying the imbalance in groundwater-surface water interactions and processes of groundwater-surface water interactions and groundwater flooding creating hazards in the coastal zones. Hazards, hydrological and geophysical risk analysis related to imbalance in groundwater-surface water interactions and groundwater flooding have been to a large extent under-emphasized for coastal zone applications either due to economical limitations or underestimation of significance of imbalance in groundwater-surface water interactions. This is particularly true for tsunamis creating salt water intrusion to coastal aquifers, even though most tsunami hazard assessments have in the past relied on scenario or deterministic type models, and to increasing mineralization of potable water because of intensive water diversions and also the abundance of highly toxic pollutants (mainly pesticides) in water, air and food, which contribute to the deterioration of the coastal population's health. In the wake of pressing environmental and economic issues, it is of prime importance for the scientific community to shed light onto the great efforts by hydrologists and geophysicists to quantify conceptual uncertainties and to provide quality assurances of potential coastal zone hazard evaluation and prediction under conditions of imbalance in groundwater-surface water interactions. This paper proposes consideration of two case studies which are important and significant for future understanding of a concept of imbalance in groundwater-surface water interactions and development and essential for feasibility studies of hazards in the coastal zone. The territory of the Aral Sea Region in Central Asia is known as an ecological disaster coastal zone. It is now obvious that, in order to provide reasonable living conditions to the coastal zone population, it is first of all necessary to drastically improve the quality of the water dedicated to human needs. Due to their intensive pollution by industrial wastes and by drainage waters from irrigated fields, the Syr Darya and Amu Darya rivers can no longer be considered as a source of safe and sustainable water supply. In such a situation, a number of scientists consider that the population's water supply must be achieved through a more comprehensive use of fresh and even subsaline groundwater resources from the coastal aquifers. The 2004 tsunami in the Indian Ocean caused imbalance in groundwater-surface water interactions and a disaster affecting thousands of kilometers of coastal zone in SE Asia. Many coastal wetlands were affected in the short term by the large inflow of salt seawater and littoral sediment deposited during the tsunami, and in the longer-term by changes in their hydrogeology caused by changes to coastlines and damage to sea-defenses. Many water quality and associated problems were generated by the tsunami. The tsunami has created imbalance in groundwater-surface water interactions and an accelerating process of salt-water intrusion and fresh-water contaminations in affected regions that now require drastic remediation measures.

Molecular dynamics simulation of water in and around carbon nanotubes: A coarse-grained description

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

Pantawane, Sanwardhini; Choudhury, Niharendu, E-mail: nihcho@barc.gov.in

2016-05-23

In the present study, we intend to investigate behaviour of water in and around hydrophobic open ended carbon nanotubes (CNTs) using a coarse-grained, core-softened model potential for water. The model potential considered here for water has recently been shown to successfully reproduce dynamic, thermodynamic and structural anomalies of water. The epitome of the study is to understand the incarceration of this coarse-grained water in a single-file carbon nanotube. In order to examine the effect of fluid-water van der Waals interaction on the structure of fluid in and around the nanotube, we have simulated three different CNT-water systems with varying degreemore » of solute-water dispersion interaction. The analyses of the radial one-particle density profiles reveal varying degree of permeation and wetting of the CNT interior depending on the degree of fluid-solute attractive van der Waals interaction. A peak in the radial density profile slightly off the nanotube axis signifies a zigzag chain of water molecule around the CNT axis. The average numbers of water molecules inside the CNT have been shown to increase with the increase in fluid-water attractive dispersion interaction.« less

Interaction of water with (silico)aluminophosphate zeotypes: a comparative investigation using dispersion-corrected DFT.

PubMed

Fischer, Michael

2016-06-21

Porous aluminophosphates (AlPOs) and silicoaluminophosphates (SAPOs) with zeolite-like structures have received considerable attention as potential adsorbents for heat transformation applications using water adsorption/desorption cycles. Since a detailed experimental characterisation of the water adsorption properties has only been performed for some of these materials, such as AlPO-18 (AEI topology) and SAPO-34 (CHA topology), more systematic insights regarding the influence of the pore topology and (for SAPOs) the arrangement of the framework protons on the affinity towards water are lacking. To study the relationships between structure and properties in more detail, the interaction of water with six structurally different AlPOs (with AEI, AFX, CHA, ERI, GIS, RHO topologies) and their SAPO analogues was investigated using dispersion-corrected density-functional theory (DFT-D) calculations. Different possible locations of silicon atoms and charge-balancing protons were considered for the SAPO systems. The calculations for SAPOs at low water loadings (one H2O molecule per framework proton) revealed that the interaction energies exhibit a considerable variation, ranging from -75 to -100 kJ mol(-1) (per water molecule). The differences in interaction energy were rationalised with the different structural environment of the framework protons at which the water molecules are adsorbed. At high water uptakes (near saturation), interaction energies in the range of -65 kJ mol(-1) were obtained for all AlPOs, and there was no evidence for a marked influence of pore size and/or topology on the interaction strength. The interaction of water with SAPOs was found to be approximately 5 kJ mol(-1) stronger than for AlPOs due to an increased contribution of electrostatic interactions. An analysis of the structural changes upon water adsorption revealed striking differences between the distinct topologies, with the materials with GIS and RHO topologies being distorted much more drastically than the systems based on double six-ring (d6r) units. Moreover, the direct coordination of water molecules to framework aluminium atoms occurs more frequently in these materials, an observation that points towards a reduced structural stability upon hydration.

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.

Investigating the Interaction of Water Vapour with Aminopropyl Groups on the Surface of Mesoporous Silica Nanoparticles.

PubMed

Paul, Geo; Musso, Giorgia Elena; Bottinelli, Emanuela; Cossi, Maurizio; Marchese, Leonardo; Berlier, Gloria

2017-04-05

The interaction of water molecules with the surface of hybrid silica-based mesoporous materials is studied by 29 Si, 1 H and 13 C solid-state NMR and IR spectroscopy, with the support of ab initio calculations. The surface of aminopropyl-grafted mesoporous silica nanoparticles is studied in the dehydrated state and upon interaction with controlled doses of water vapour. Former investigations described the interactions between aminopropyl and residual SiOH groups; the present study shows the presence of hydrogen-bonded species (SiOH to NH 2 ) and weakly interacting "free" aminopropyl chains with restricted mobility, together with a small amount of protonated NH 3 + groups. The concentration of the last-named species increased upon interaction with water, and this indicates reversible and fast proton exchange from water molecules to a fraction of the amino groups. Herein, this is discussed and explained for the first time, by a combination of experimental and theoretical approaches. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Role of lubricants on friction between self-ligating brackets and archwires.

PubMed

Leal, Renata C; Amaral, Flávia L B; França, Fabiana M G; Basting, Roberta T; Turssi, Cecilia P

2014-11-01

To evaluate the effect of different lubricants on friction between orthodontic brackets and archwires. Active (Quick, Forestadent) and passive (Damon 3MX, Ormco) self-ligating brackets underwent friction tests in the presence of mucin- and carboxymethylcellulose (CMC)-based artificial saliva, distilled water, and whole human saliva (positive control). Dry friction (no lubricant) was used as the negative control. Bracket/wire samples (0.014 × 0.025 inch, CuNiTi, SDS Ormco) underwent friction tests eight times in a universal testing machine. Two-way analysis of variance showed no significant interaction between bracket type and lubricant (P  =  .324). Friction force obtained with passive self-ligating brackets was lower than that for active brackets (P < .001). Friction observed in the presence of artificial saliva did not differ from that generated under lubrication with natural human saliva, as shown by Tukey test. Higher friction forces were found with the use of distilled water or when the test was performed under dry condition (ie, with no lubricant). Lubrication plays a role in friction forces between self-ligating brackets and CuNiTi wires, with mucin- and CMC-based artificial saliva providing a reliable alternative to human natural saliva.

Measurement of the electron neutrino charged-current interaction rate on water with the T2K ND280 π0 detector

NASA Astrophysics Data System (ADS)

Abe, K.; Adam, J.; Aihara, H.; Andreopoulos, C.; Aoki, S.; Ariga, A.; Assylbekov, S.; Autiero, D.; Barbi, M.; Barker, G. J.; Barr, G.; Bartet-Friburg, P.; Bass, M.; Batkiewicz, M.; Bay, F.; Berardi, V.; Berger, B. E.; Berkman, S.; Bhadra, S.; Blaszczyk, F. d. M.; Blondel, A.; Bolognesi, S.; Bordoni, S.; Boyd, S. B.; Brailsford, D.; Bravar, A.; Bronner, C.; Buchanan, N.; Calland, R. G.; Caravaca Rodríguez, J.; Cartwright, S. L.; Castillo, R.; Catanesi, M. G.; Cervera, A.; Cherdack, D.; Chikuma, N.; Christodoulou, G.; Clifton, A.; Coleman, J.; Coleman, S. J.; Collazuol, G.; Connolly, K.; Cremonesi, L.; Dabrowska, A.; Das, R.; Davis, S.; de Perio, P.; De Rosa, G.; Dealtry, T.; Dennis, S. R.; Densham, C.; Dewhurst, D.; Di Lodovico, F.; Di Luise, S.; Dolan, S.; Drapier, O.; Duffy, K.; Dumarchez, J.; Dytman, S.; Dziewiecki, M.; Emery-Schrenk, S.; Ereditato, A.; Escudero, L.; Feusels, T.; Finch, A. J.; Fiorentini, G. A.; Friend, M.; Fujii, Y.; Fukuda, Y.; Furmanski, A. P.; Galymov, V.; Garcia, A.; Giffin, S.; Giganti, C.; Gilje, K.; Goeldi, D.; Golan, T.; Gonin, M.; Grant, N.; Gudin, D.; Hadley, D. R.; Haegel, L.; Haesler, A.; Haigh, M. D.; Hamilton, P.; Hansen, D.; Hara, T.; Hartz, M.; Hasegawa, T.; Hastings, N. C.; Hayashino, T.; Hayato, Y.; Helmer, R. L.; Hierholzer, M.; Hignight, J.; Hillairet, A.; Himmel, A.; Hiraki, T.; Hirota, S.; Holeczek, J.; Horikawa, S.; Hosomi, F.; Huang, K.; Ichikawa, A. K.; Ieki, K.; Ieva, M.; Ikeda, M.; Imber, J.; Insler, J.; Irvine, T. J.; Ishida, T.; Ishii, T.; Iwai, E.; Iwamoto, K.; Iyogi, K.; Izmaylov, A.; Jacob, A.; Jamieson, B.; Jiang, M.; Johnson, S.; Jo, J. H.; Jonsson, P.; Jung, C. K.; Kabirnezhad, M.; Kaboth, A. C.; Kajita, T.; Kakuno, H.; Kameda, J.; Kanazawa, Y.; Karlen, D.; Karpikov, I.; Katori, T.; Kearns, E.; Khabibullin, M.; Khotjantsev, A.; Kielczewska, D.; Kikawa, T.; Kilinski, A.; Kim, J.; King, S.; Kisiel, J.; Kitching, P.; Kobayashi, T.; Koch, L.; Koga, T.; Kolaceke, A.; Konaka, A.; Kopylov, A.; Kormos, L. L.; Korzenev, A.; Koshio, Y.; Kropp, W.; Kubo, H.; Kudenko, Y.; Kurjata, R.; Kutter, T.; Lagoda, J.; Lamont, I.; Larkin, E.; Laveder, M.; Lawe, M.; Lazos, M.; Lindner, T.; Lister, C.; Litchfield, R. P.; Longhin, A.; Lopez, J. P.; Ludovici, L.; Magaletti, L.; Mahn, K.; Malek, M.; Manly, S.; Marino, A. D.; Marteau, J.; Martin, J. F.; Martins, P.; Martynenko, S.; Maruyama, T.; Matveev, V.; Mavrokoridis, K.; Mazzucato, E.; McCarthy, M.; McCauley, N.; McFarland, K. S.; McGrew, C.; Mefodiev, A.; Metelko, C.; Mezzetto, M.; Mijakowski, P.; Miller, C. A.; Minamino, A.; Mineev, O.; Mine, S.; Missert, A.; Miura, M.; Moriyama, S.; Mueller, Th. A.; Murakami, A.; Murdoch, M.; Murphy, S.; Myslik, J.; Nakadaira, T.; Nakahata, M.; Nakamura, K. G.; Nakamura, K.; Nakayama, S.; Nakaya, T.; Nakayoshi, K.; Nantais, C.; Nielsen, C.; Nirkko, M.; Nishikawa, K.; Nishimura, Y.; Nowak, J.; O'Keeffe, H. M.; Ohta, R.; Okumura, K.; Okusawa, T.; Oryszczak, W.; Oser, S. M.; Ovsyannikova, T.; Owen, R. A.; Oyama, Y.; Palladino, V.; Palomino, J. L.; Paolone, V.; Payne, D.; Perevozchikov, O.; Perkin, J. D.; Petrov, Y.; Pickard, L.; Pinzon Guerra, E. S.; Pistillo, C.; Plonski, P.; Poplawska, E.; Popov, B.; Posiadala-Zezula, M.; Poutissou, J.-M.; Poutissou, R.; Przewlocki, P.; Quilain, B.; Radicioni, E.; Ratoff, P. N.; Ravonel, M.; Rayner, M. A. M.; Redij, A.; Reeves, M.; Reinherz-Aronis, E.; Riccio, C.; Rodrigues, P. A.; Rojas, P.; Rondio, E.; Roth, S.; Rubbia, A.; Ruterbories, D.; Rychter, A.; Sacco, R.; Sakashita, K.; Sánchez, F.; Sato, F.; Scantamburlo, E.; Scholberg, K.; Schoppmann, S.; Schwehr, J. D.; Scott, M.; Seiya, Y.; Sekiguchi, T.; Sekiya, H.; Sgalaberna, D.; Shah, R.; Shaikhiev, A.; Shaker, F.; Shaw, D.; Shiozawa, M.; Short, S.; Shustrov, Y.; Sinclair, P.; Smith, B.; Smy, M.; Sobczyk, J. T.; Sobel, H.; Sorel, M.; Southwell, L.; Stamoulis, P.; Steinmann, J.; Suda, Y.; Suzuki, A.; Suzuki, K.; Suzuki, S. Y.; Suzuki, Y.; Tacik, R.; Tada, M.; Takahashi, S.; Takeda, A.; Takeuchi, Y.; Tanaka, H. K.; Tanaka, H. A.; Tanaka, M. M.; Terhorst, D.; Terri, R.; Thompson, L. F.; Thorley, A.; Tobayama, S.; Toki, W.; Tomura, T.; Touramanis, C.; Tsukamoto, T.; Tzanov, M.; Uchida, Y.; Vacheret, A.; Vagins, M.; Vasseur, G.; Wachala, T.; Wakamatsu, K.; Walter, C. W.; Wark, D.; Warzycha, W.; Wascko, M. O.; Weber, A.; Wendell, R.; Wilkes, R. J.; Wilking, M. J.; Wilkinson, C.; Williamson, Z.; Wilson, J. R.; Wilson, R. J.; Wongjirad, T.; Yamada, Y.; Yamamoto, K.; Yanagisawa, C.; Yano, T.; Yen, S.; Yershov, N.; Yokoyama, M.; Yoo, J.; Yoshida, K.; Yuan, T.; Yu, M.; Zalewska, A.; Zalipska, J.; Zambelli, L.; Zaremba, K.; Ziembicki, M.; Zimmerman, E. D.; Zito, M.; Żmuda, J.; T2K Collaboration

2015-06-01

This paper presents a measurement of the charged current interaction rate of the electron neutrino beam component of the beam above 1.5 GeV using the large fiducial mass of the T2K π0 detector. The predominant portion of the νe flux (˜85 % ) at these energies comes from kaon decays. The measured ratio of the observed beam interaction rate to the predicted rate in the detector with water targets filled is 0.89 ±0.08 (stat)±0.11 (sys) , and with the water targets emptied is 0.90 ±0.09 (stat)±0.13 (sys) . The ratio obtained for the interactions on water only from an event subtraction method is 0.87 ±0.33 (stat)±0.21 (sys) . This is the first measurement of the interaction rate of electron neutrinos on water, which is particularly of interest to experiments with water Cherenkov detectors.

A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model

NASA Astrophysics Data System (ADS)

Dias, L. G.; Shimizu, K.; Farah, J. P. S.; Chaimovich, H.

2002-09-01

We propose and demonstrate the usefulness of a method, defined as generalized Born electronegativity equalization method (GBEEM) to estimate solvent-induced charge redistribution. The charges obtained by GBEEM, in a representative series of small organic molecules, were compared to PM3-CM1 charges in vacuum and in water. Linear regressions with appropriate correlation coefficients and standard deviations between GBEEM and PM3-CM1 methods were obtained ( R=0.94,SD=0.15, Ftest=234, N=32, in vacuum; R=0.94,SD=0.16, Ftest=218, N=29, in water). In order to test the GBEEM response when intermolecular interactions are involved we calculated a water dimer in dielectric water using both GBEEM and PM3-CM1 and the results were similar. Hence, the method developed here is comparable to established calculation methods.

Community-based risk assessment of water contamination from high-volume horizontal hydraulic fracturing.

PubMed

Penningroth, Stephen M; Yarrow, Matthew M; Figueroa, Abner X; Bowen, Rebecca J; Delgado, Soraya

2013-01-01

The risk of contaminating surface and groundwater as a result of shale gas extraction using high-volume horizontal hydraulic fracturing (fracking) has not been assessed using conventional risk assessment methodologies. Baseline (pre-fracking) data on relevant water quality indicators, needed for meaningful risk assessment, are largely lacking. To fill this gap, the nonprofit Community Science Institute (CSI) partners with community volunteers who perform regular sampling of more than 50 streams in the Marcellus and Utica Shale regions of upstate New York; samples are analyzed for parameters associated with HVHHF. Similar baseline data on regional groundwater comes from CSI's testing of private drinking water wells. Analytic results for groundwater (with permission) and surface water are made publicly available in an interactive, searchable database. Baseline concentrations of potential contaminants from shale gas operations are found to be low, suggesting that early community-based monitoring is an effective foundation for assessing later contamination due to fracking.

High frequency poroelastic waves in hydrogels.

PubMed

Chiarelli, Piero; Lanatà, Antonio; Carbone, Marina; Domenici, Claudio

2010-03-01

In this work a continuum model for high frequency poroelastic longitudinal waves in hydrogels is presented. A viscoelastic force describing the interaction between the polymer network and the bounded water present in such materials is introduced. The model is tested by means of ultrasound wave speed and attenuation measurements in polyvinylalcohol hydrogel samples. The theory and experiments show that ultrasound attenuation decreases linearly with the increase in the water volume fraction beta of the hydrogel. The introduction of the viscoelastic force between the bounded water and the polymer network leads to a bi-phasic theory, showing an ultrasonic fast wave attenuation that can vary as a function of the frequency with a non-integer exponent in agreement with the experimental data in literature. When beta tends to 1 (100% of interstitial water) due to the presence of bounded water in the hydrogel, the ultrasound phase velocity acquires higher value than that of pure water. The ultrasound speed gap at beta=1 is confirmed by the experimental results, showing that it increases in less cross-linked gel samples which own a higher concentration of bounded water.

Detection of Cu2+ in Water Based on Histidine-Gold Labeled Multiwalled Carbon Nanotube Electrochemical Sensor

PubMed Central

Zhu, Rilong; Zhou, Gangqiang; Tang, Fengxia; Wang, Yeyao

2017-01-01

Based on the strong interaction between histidine and copper ions and the signal enhancement effect of gold-labeling carbon nanotubes, an electrochemical sensor is established and used to measure copper ions in river water. In this study the results show that the concentrations of copper ion have well linear relationship with the peak current in the range of 10−11–10−7 mol/L, and the limit of detection is 10−12 mol/L. When using this method to detect copper ions in the Xiangjiang River, the test results are consistent with the atomic absorption method. This study shows that the sensor is convenient to be used in daily monitoring of copper ions in river water. PMID:28408929

Underwater robot society doing internal inspection and leak monitoring of water systems

NASA Astrophysics Data System (ADS)

Halme, Aarne; Vainio, Mika; Appelqvist, Pekka; Jakubik, Peter; Schonberg, Torsten; Visala, Arto

1997-09-01

In the field of civil engineering an effective internal monitoring of pipes and water storage is very problematic. Normally the sensors used for the task are either fixed or manually movable. Thus they will only provide locally and temporally restricted information. As a solution an underwater robotic sensor/actuator society is presented. The system is capable of operating inside a fluid environment as a kind of distributed sensory system. The value of the system emerges from the interactions between the members. Through a communication system the society fuses information from individual members and provides a more reliable estimate of the conditions inside water systems. Tests results in a transparent demo process consisting of tanks and pipes with a volume of 700 liters are presented.

Lunar-Mars Life Support Test Project. Phase 2; Human Factors and Crew Interactions

NASA Technical Reports Server (NTRS)

Ming, D. W.; Hurlbert, K. M.; Kirby, G.; Lewis, J. F.; ORear, P.

1997-01-01

Phase 2 of the Lunar-Mars Life Support Test Project was conducted in June and July of 1996 at the NASA Johnson Space Center. The primary objective of Phase 2 was to demonstrate and evaluate an integrated physicochemical air revitalization and regenerative water recovery system capable of sustaining a human crew of four for 30 days inside a closed chamber. The crew (3 males and 1 female) was continuously present inside a chamber throughout the 30-day test. The objective of this paper was to describe crew interactions and human factors for the test. Crew preparations for the test included training and familiarization of chamber systems and accommodations, and medical and psychological evaluations. During the test, crew members provided metabolic loads for the life support systems, performed maintenance on chamber systems, and evaluated human factors inside the chamber. Overall, the four crew members found the chamber to be comfortable for the 30-day test. The crew performed well together and this was attributed in part to team dynamics, skill mix (one commander, two system experts, and one logistics lead), and a complementary mix of personalities. Communication with and support by family, friends, and colleagues were identified as important contributors to the high morale of the crew during the test. Lessons learned and recommendations for future testing are presented by the crew in this paper.

Identifying the regional-scale groundwater-surface water interaction on the Sanjiang Plain, Northeast China.

PubMed

Wang, Xihua; Zhang, Guangxin; Xu, Y Jun; Sun, Guangzhi

2015-11-01

Assessment on the interaction between groundwater and surface water (GW-SW) can generate information that is critical to regional water resource management, especially for regions that are highly dependent on groundwater resources for irrigation. This study investigated such interaction on China's Sanjiang Plain (10.9 × 10(4) km(2)) and produced results to assist sustainable regional water management for intensive agricultural activities. Methods of hierarchical cluster analysis (HCA), principal component analysis (PCA), and statistical analysis were used in this study. One hundred two water samplings (60 from shallow groundwater, 7 from deep groundwater, and 35 from surface water) were collected and grouped into three clusters and seven sub-clusters during the analyses. The PCA analysis identified four principal components of the interaction, which explained 85.9% variance of total database, attributed to the dissolution and evolution of gypsum, feldspar, and other natural minerals in the region that was affected by anthropic and geological (sedimentary rock mineral) activities. The analyses showed that surface water in the upper region of the Sanjiang Plain gained water from local shallow groundwater, indicating that the surface water in the upper region was relatively more resilient to withdrawal for usage, whereas in the middle region, there was only a weak interaction between shallow groundwater and surface water. In the lower region of the Sanjiang Plain, surface water lost water to shallow groundwater, indicating that the groundwater was vulnerable to pollution by pesticides and fertilizers from terrestrial sources.

Interactions between liquid-water and gas-diffusion layers in polymer-electrolyte fuel cells

DOE PAGES

Das, Prodip K.; Santamaria, Anthony D.; Weber, Adam Z.

2015-06-11

Over the past few decades, a significant amount of research on polymer-electrolyte fuel cells (PEFCs) has been conducted to improve performance and durability while reducing the cost of fuel cell systems. However, the cost associated with the platinum (Pt) catalyst remains a barrier to their commercialization and PEFC durability standards have yet to be established. An effective path toward reducing PEFC cost is making the catalyst layers (CLs) thinner thus reducing expensive Pt content. The limit of thin CLs is high gas-transport resistance and the performance of these CLs is sensitive to the operating temperature due to their inherent lowmore » water uptake capacity, which results in higher sensitivity to liquid-water flooding and reduced durability. Therefore, reducing PEFC's cost by decreasing Pt content and improving PEFC's performance and durability by managing liquid-water are still challenging and open topics of research. An overlooked aspect nowadays of PEFC water management is the gas-diffusion layer (GDL). While it is known that GDL's properties can impact performance, typically it is not seen as a critical component. In this work, we present data showing the importance of GDLs in terms of water removal and management while also exploring the interactions between liquid-water and GDL surfaces. The critical interface of GDL and gas-flow-channel in the presence of liquid-water was examined through systematic studies of adhesion forces as a function of water-injection rate for various GDLs of varying thickness. GDL properties (breakthrough pressure and adhesion force) were measured experimentally under a host of test conditions. Specifically, the effects of GDL hydrophobic (PTFE) content, thickness, and water-injection rate were examined to identify trends that may be beneficial to the design of liquid-water management strategies and next-generation GDL materials for PEFCs.« less

Role of air-water interfaces in colloid transport in porous media: A review

NASA Astrophysics Data System (ADS)

Flury, Markus; Aramrak, Surachet

2017-07-01

Air-water interfaces play an important role in unsaturated porous media, giving rise to phenomena like capillarity. Less recognized and understood are interactions of colloids with the air-water interface in porous media and the implications of these interactions for fate and transport of colloids. In this review, we discuss how colloids, both suspended in the aqueous phase and attached at pore walls, interact with air-water interfaces in porous media. We discuss the theory of colloid/air-water interface interactions, based on the different forces acting between colloids and the air-water interface (DLVO, hydrophobic, capillary forces) and based on thermodynamic considerations (Gibbs free energy). Subsurface colloids are usually electrostatically repelled from the air-water interface because most subsurface colloids and the air-water are negatively charged. However, hydrophobic interactions can lead to attraction to the air-water interface. When colloids are at the air-water interface, capillary forces are usually dominant over other forces. Moving air-water interfaces are effective in mobilizing and transporting colloids from surfaces. Thermodynamic considerations show that, for a colloid, the air-water interface is the favored state as compared with the suspension phase, except for hydrophilic colloids in the nanometer size range. Experimental evidence indicates that colloid mobilization in soils often occurs through macropores, although matrix transport is also prevalent in absence of macropores. Moving air-water interfaces, e.g., occurring during infiltration, imbibition, or drainage, have been shown to scour colloids from surfaces and translocate colloids. Colloids can also be pinned to surfaces by thin water films and capillary menisci at the air-water-solid interface line, causing colloid retention and immobilization. Air-water interfaces thus can both mobilize or immobilize colloids in porous media, depending on hydrodynamics and colloid and surface chemistry.

Interaction of probiotics and pathogens--benefits to human health?

PubMed

Salminen, Seppo; Nybom, Sonja; Meriluoto, Jussi; Collado, Maria Carmen; Vesterlund, Satu; El-Nezami, Hani

2010-04-01

The probiotic terminology has matured over the years and currently a unified definition has been formed. Lactic acid bacteria (LAB) and bifidobacteria have been reported to remove heavy metals, cyanotoxins and mycotoxins from aqueous solutions. The binding processes appear to be species and strain specific. The most efficient microbial species and strains in the removal of these compounds vary between components tested. However, it is of interest to note that most strains characterized until now do not bind positive components or nutrients in the diet. This has significant implications to future detoxification biotechnology development. In a similar manner, lactic acid bacteria and bifidobacteria interact directly with viruses and pathogens in food and water as well as toxin producing microbes and some toxins. This review updates information and aims to characterize these interactions in association. The target is to understand probiotic health effects and to relate the mechanisms and actions to future potential of specific probiotic bacteria on decontamination of foods and water, and diets. The same aim is targeted in characterizing the role of probiotics in inactivating pathogens and viruses of health importance to facilitate the establishment of novel means of disease risk reduction related health benefits. Copyright 2010. Published by Elsevier Ltd.

Terrestrial Testing of the CapiBRIC, a Microgravity Optimized Brine Processor

NASA Technical Reports Server (NTRS)

Sargusingh, Miriam J.; Callahan, Michael R.; Weislogel, Mark M.

2016-01-01

Utilizing geometry based static phase separation exhibited in the radial vaned capillary drying tray, a system was conceived to recover water from brine. This technology has been named the Capillary BRIC; abbreviated CapiBRIC. The CapiBRIC utilizes a capillary drying tray within a drying chamber. Water is recovered from clean water vapor evaporating from the free surface leaving waste brine solids behind. A novel approach of optimizing the containment geometry to support passive capillary flow and static phase separation provides the opportunity for a low power system that is not as susceptible to fouling as membranes or other technologies employing physical barriers across the free brine surface to achieve phase separation in microgravity. Having been optimized for operation in microgravity, full-scale testing of the CapiBRIC as designed cannot be performed on the ground as the force of gravity would dominate over the capillary forces. However, subscale units relevant to full-scale design were used to characterize fill rates, containment stability, and interaction with a variable volume reservoir in the PSU Dryden Drop Tower (DDT) facility. PSU also using tested units scaled such that capillary forces dominated in a 1-g environment to characterize evaporation from a free-surface in 1-g upward, sideways and downward orientations. In order to augment the subscale testing performed by PSU, a full scale 1-g analogue of the CapiBRIC drying unit was initiated to help validate performance predictions regarding expected water recovery ratio, estimated processing time, and interface definitions for inlets, outlets, and internal processes, including vent gas composition. This paper describes the design, development and test of the terrestrial CapiBRIC prototypes.

Hydrogeologic characteristics of four public drinking-water supply springs in northern Arkansas

USGS Publications Warehouse

Galloway, Joel M.

2004-01-01

In October 2000, a study was undertaken by the U.S. Geological Survey (USGS) in cooperation with the Arkansas Department of Health to determine the hydrogeologic characteristics, including the extent of the recharge areas, for Hughes Spring, Stark Spring, Evening Shade Spring, and Roaring Spring, which are used for public-water supply in northern Arkansas. Information pertaining to each spring can be used to enable development of effective management plans to protect these water resources and public health. An integrated approach to determine the ground-water characteristics and the extent of the local recharge areas of the four springs incorporated tools and methods of hydrology, structural geology, geomorphology, geophysics, and geochemistry. Analyses of discharge, temperature, and water quality were completed to describe ground-water flow characteristics, source-water characteristics, and connectivity of the ground-water system with surface runoff. Water-level contour maps were constructed to determine ground-water flow directions and ground-water tracer tests were conducted to determine the extent of the recharge areas and ground-water flow velocities. Hughes Spring supplies water for the city of Marshall, Arkansas, and the surrounding area. The mean annual discharge for Hughes Spring was 2.9 and 5.2 cubic feet per second for water years 2001 and 2002, respectively. Recharge to the spring occurs mainly from the Boone Formation (Springfield Plateau aquifer). Ground-water tracer tests indicate the recharge area for Hughes Spring generally coincides with the surface drainage area (15.8 square miles) and that Hughes Spring is connected directly to the surface flow in Brush Creek. The geochemistry of Hughes Spring demonstrated variations with flow conditions and the influence of surface-runoff in the recharge area. Calcite saturation indices, total dissolved solids concentrations, and hardness demonstrate noticeable differences with flow conditions reflecting the reduced residence time and interaction of water with the source rock within the ground-water system at higher discharges for Hughes Spring. Concentrations of fecal indicator bacteria also demonstrated a substantial increase during high-flow conditions, suggesting that a non-point source of bacteria possibly from livestock may enter the system. Conversely, nutrient concentrations did not vary with flow and were similar to concentrations reported for undeveloped sites in the Springfield Plateau and Ozark aquifers in northern Arkansas and southern Missouri. Deuterium and oxygen-18 data show that the Hughes Spring discharge is representative of direct precipitation and not influenced by water enriched in oxygen-18 through evaporation. Discharge data show that Hughes Spring is dominated by conduit type ground-water flow, but a considerable component of diffuse flow also exists in the ground-water system. Carbon-13 data indicate a substantial component of the recharge water interacts with the surface material (soil and regolith) in the recharge area before entering the ground-water system for Hughes Spring. Tritium data for Hughes Spring indicate that the discharge water is a mixture of recent recharge and sub-modern water (recharged prior to 1952). Stark Spring supplies water for the city of Cushman, Arkansas, and the surrounding area. 2 Hydrogeologic Characteristics of Four Public Drinking-Water Supply Springs in Northern Arkansas The mean annual discharge for Stark Spring was 0.5 and 1.5 cubic feet per second for water years 2001 and 2002, respectively. The discharge and water-quality data show the ground-water system for Stark Spring is dominated by rapid recharge from surface runoff and mainly consists of a conduit- type flow system with little diffuse-type flow. Analyses of discharge data show that the estimated recharge area (0.79 square mile) is larger than the surface drainage area (0.34 square mile). Ground-water tracer tests and the outcrop of the

Rapid and accurate prediction and scoring of water molecules in protein binding sites.

PubMed

Ross, Gregory A; Morris, Garrett M; Biggin, Philip C

2012-01-01

Water plays a critical role in ligand-protein interactions. However, it is still challenging to predict accurately not only where water molecules prefer to bind, but also which of those water molecules might be displaceable. The latter is often seen as a route to optimizing affinity of potential drug candidates. Using a protocol we call WaterDock, we show that the freely available AutoDock Vina tool can be used to predict accurately the binding sites of water molecules. WaterDock was validated using data from X-ray crystallography, neutron diffraction and molecular dynamics simulations and correctly predicted 97% of the water molecules in the test set. In addition, we combined data-mining, heuristic and machine learning techniques to develop probabilistic water molecule classifiers. When applied to WaterDock predictions in the Astex Diverse Set of protein ligand complexes, we could identify whether a water molecule was conserved or displaced to an accuracy of 75%. A second model predicted whether water molecules were displaced by polar groups or by non-polar groups to an accuracy of 80%. These results should prove useful for anyone wishing to undertake rational design of new compounds where the displacement of water molecules is being considered as a route to improved affinity.

Experimental and Numerical Investigation of Adsorption/Desorption in Packed Sorption Beds Under Ideal and Non-Ideal Flows

NASA Technical Reports Server (NTRS)

Mohamadinejad, H.; Knox, J. C.; Smith, James E.

1999-01-01

The importance of the wall effect on packed beds in the adsorption and desorption of carbon dioxide, nitrogen, and water on molecular sieve 5A of 0.127 cm in radius is examined experimentally and with one-dimensional computer simulations. Experimental results are presented for a 22.5-cm long by 4.5-cm diameter cylindrical column with concentration measurements taken at various radial locations. The set of partial differential equations are solved using finite differences and Newman's method. Comparison of test data with the axial-dispersed, non-isothermal, linear driving force model suggests that a two-dimensional model (submitted to Separation Science and Technology) is required for accurate simulation of the average column breakthrough concentration. Additional comparisons of test data with the model provided information on the interactive effects of carrier gas coadsorption with CO2, as well as CO2-H2O interactions.

Analysis of the measured effects of the principal exhaust effluents from solid rocket motors

NASA Technical Reports Server (NTRS)

Dawbarn, R.; Kinslow, M.; Watson, D. J.

1980-01-01

The feasibility of conducting environmental chamber tests using a small rocket motor to study the physical processes which occur when the exhaust products from solid motors mix with the ambient atmosphere was investigated. Of particular interest was the interaction between hydrogen chloride, aluminum oxide, and water vapor. Several types of instruments for measuring HCl concentrations were evaluated. Under some conditions it was noted that acid aerosols were formed in the ground cloud. These droplets condensed on Al2O3 nuclei and were associated with the rocket exhaust cooling during the period of plume rise to stabilization. Outdoor firings of the solid rocket motors of a 6.4 percent scaled model of the space shuttle were monitored to study the interaction of the exhaust effluents with vegetation downwind of the test site. Data concerning aluminum oxide particles produced by solid rocket motors were evaluated.

Micro- and Nano- Porous Adsorptive Materials for Removal of Contaminants from Water at Point-of-Use

NASA Astrophysics Data System (ADS)

Yakub, Ismaiel

Water is food, a basic human need and a fundamental human right, yet hundreds of millions of people around the world do not have access to clean drinking water. As a result, about 5000 people die each day from preventable water borne diseases. This dissertation presents the results of experimental and theoretical studies on three different types of porous materials that were developed for the removal of contaminants from water at point of use (household level). First, three compositionally distinct porous ceramic water filters (CWFs) were made from a mixture of redart clay and sieved woodchips and processed into frustum shape. The filters were tested for their flow characteristics and bacteria filtration efficiencies. Since, the CWFs are made from brittle materials, and may fail during processing, transportation and usage, the mechanical and physical properties of the porous clays were characterized, and used in modeling designed to provide new insights for the design of filter geometries. The mechanical/physical properties that were characterized include: compressive strength, flexural strength, facture toughness and resistance curve behavior, keeping in mind the anisotropic nature of the filter structure. The measured flow characteristics and mechanical/physical properties were then related to the underlying porosity and characteristic pore size. In an effort to quantify the adhesive interactions associated with filtration phenomena, atomic force microscopy (AFM) was used to measure the adhesion between bi-material pairs that are relevant to point-of-use ceramic water filters. The force microscopy measurements of pull-off force and adhesion energy were used to rank the adhesive interactions. Similarly, the adsorption of fluoride to hydroxyapatite-doped redart clay was studied using composites of redart clay and hydroxyapatite (C-HA). The removal of fluoride from water was explored by carrying out adsorption experiments on C-HA adsorbents with different ratios of clay to hydroxyapatite (and sintered at different temperatures). The overall adsorption was controlled using water with varying fluoride concentrations and adsorbent-adsorbate contact times. Prototype frustum-shaped C-HA filters were then fabricated and shown to remove both fluoride and E.coli bacteria from water. Finally, "buckyweb", which is a foam comprising carbon nanotubes and graphene was made via thermal ablation of graphite, and tested for its deflouridation capacity. Defluoridation was studied in terms of concentration of fluoride, contact time and pH. The structure and adsorption characteristics of buckyweb foams were elucidated via energy dispersive x-ray spectroscopy, transmission electron microscopy and scanning transmission electron microscopy. The implications of the results were then explored for potential applications in water filtration.

The accuracy of ab initio calculations without ab initio calculations for charged systems: Kriging predictions of atomistic properties for ions in aqueous solutions

NASA Astrophysics Data System (ADS)

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

2018-06-01

Using the machine learning method kriging, we predict the energies of atoms in ion-water clusters, consisting of either Cl- or Na+ surrounded by a number of water molecules (i.e., without Na+Cl- interaction). These atomic energies are calculated following the topological energy partitioning method called Interacting Quantum Atoms (IQAs). Kriging predicts atomic properties (in this case IQA energies) by a model that has been trained over a small set of geometries with known property values. The results presented here are part of the development of an advanced type of force field, called FFLUX, which offers quantum mechanical information to molecular dynamics simulations without the limiting computational cost of ab initio calculations. The results reported for the prediction of the IQA components of the energy in the test set exhibit an accuracy of a few kJ/mol, corresponding to an average error of less than 5%, even when a large cluster of water molecules surrounding an ion is considered. Ions represent an important chemical system and this work shows that they can be correctly taken into account in the framework of the FFLUX force field.

Calculation of Water Entry Problem for Free-falling Bodies Using a Developed Cartesian Cut Cell Mesh

NASA Astrophysics Data System (ADS)

Wenhua, Wang; Yanying, Wang

2010-05-01

This paper describes the development of free surface capturing method on Cartesian cut cell mesh to water entry problem for free-falling bodies with body-fluid interaction. The incompressible Euler equations for a variable density fluid system are presented as governing equations and the free surface is treated as a contact discontinuity by using free surface capturing method. In order to be convenient for dealing with the problem with moving body boundary, the Cartesian cut cell technique is adopted for generating the boundary-fitted mesh around body edge by cutting solid regions out of a background Cartesian mesh. Based on this mesh system, governing equations are discretized by finite volume method, and at each cell edge inviscid flux is evaluated by means of Roe's approximate Riemann solver. Furthermore, for unsteady calculation in time domain, a time accurate solution is achieved by a dual time-stepping technique with artificial compressibility method. For the body-fluid interaction, the projection method of momentum equations and exact Riemann solution are applied in the calculation of fluid pressure on the solid boundary. Finally, the method is validated by test case of water entry for free-falling bodies.

Effects of arginine vasopressin on musical working memory.

PubMed

Granot, Roni Y; Uzefovsky, Florina; Bogopolsky, Helena; Ebstein, Richard P

2013-01-01

Previous genetic studies showed an association between variations in the gene coding for the 1a receptor of the neuro-hormone arginine vasopressin (AVP) and musical working memory (WM). The current study set out to test the influence of intranasal administration (INA) of AVP on musical as compared to verbal WM using a double blind crossover (AVP-placebo) design. Two groups of 25 males were exposed to 20 IU of AVP in one session, and 20 IU of saline water (placebo) in a second session, 1 week apart. In each session subjects completed the tonal subtest from Gordon's "Musical Aptitude Profile," the interval subtest from the "Montreal Battery for Evaluation of Amusias (MBEA)," and the forward and backward digit span tests. Scores in the digit span tests were not influenced by AVP. In contrast, in the music tests there was an AVP effect. In the MBEA test, scores for the group receiving placebo in the first session (PV) were higher than for the group receiving vasopressin in the first session (VP) (p < 0.05) with no main Session effect nor Group × Session interaction. In the Gordon test there was a main Session effect (p < 0.05) with scores higher in the second as compared to the first session, a marginal main Group effect (p = 0.093) and a marginal Group × Session interaction (p = 0.88). In addition we found that the group that received AVP in the first session scored higher on scales indicative of happiness, and alertness on the positive and negative affect scale, (PANAS). Only in this group and only in the music test these scores were significantly correlated with memory scores. Together the results reflect a complex interaction between AVP, musical memory, arousal, and contextual effects such as session, and base levels of memory. The results are interpreted in light of music's universal use as a means to modulate arousal on the one hand, and AVP's influence on mood, arousal, and social interactions on the other.

A physicochemical study of Al(+3) interactions with edible seaweed biomass in acidic waters.

PubMed

Lodeiro, Pablo; López-García, Marta; Herrero, Luz; Barriada, José L; Herrero, Roberto; Cremades, Javier; Bárbara, Ignacio; Sastre de Vicente, Manuel E

2012-09-01

In this article, a study of the Al(+3) interactions in acidic waters with biomass of different edible seaweeds: brown (Fucus vesiculosus, Saccorhiza polyschides), red (Mastocarpus stellatus, Gelidium sesquipedale, Chondrus crispus), and green (Ulva rigida, Codium tomentosum), has been performed. The influence of both, the initial concentration of metal and the solution pH, on the Al-uptake capacity of the biomass has been analyzed. From preliminary tests, species Fucus vesiculosus and Gelidium sesquipedale have been selected for a more exhaustive analysis. Sorption kinetic studies demonstrated that 60 min are enough to reach equilibrium. The intraparticle diffusion model has been used to describe kinetic data. Equilibrium studies have been carried out at pH values of 1, 2.5, and 4. Langmuir isotherms showed that the best uptake values, obtained at pH 4, were 33 mg/g for F. vesiculosus and 9.2 mg/g for G. sesquipedale. These edible seaweeds have been found particularly effective in binding aluminum metal ions for most of the conditions tested. Physicochemical data reported at these low pH values could be of interest, not only in modeling aluminum-containing antacids-food pharmacokinetic processes produced in the stomach (pH values 1 to 3) but in remediation studies in acidic waters. Aluminum is thought to be linked to neurological disruptions such as Alzheimer's disease. In this article, the adsorption ability of different types of edible seaweeds toward aluminum has been studied. The choice of low pH values is due to the fact that stomach region is acidic with a pH value between 1 and 3 as a consequence of hydrochloric secretion; so physicochemical data reported in this study could be of interest in modeling drug-food interactions, in particular those referring to aluminum-containing antacids-food pharmacokinetic processes produced in the gastrointestinal tract. © 2012 Institute of Food Technologists®

Experimental simulation of frost wedging-induced crack propagation in alpine rockwall

NASA Astrophysics Data System (ADS)

Jia, Hailiang; Leith, Kerry; Krautblatter, Michael

2016-04-01

Frost wedging is widely presumed to be the principal mechanism responsible for shattering jointed low-porosity rocks in high alpine rockwalls. The interaction of ice and rock physics regulates the efficacy of frost wedging. In order to better understand temporal aspects of this interaction, we present results of a series of laboratory experiments monitoring crack widening as a result of ice formation in an artificial crack (4mm wide, 80mm deep) cut 20 mm from the end of a rectangular granite block. Our results indicate that i) freezing direction plays a key role in determining the magnitude of crack widening; in short-term (1 day) experiments, maximum crack widening during top-down freezing (associated with 'autumn' conditions) was around 0.11mm, while inside-out freezing (resulting from 'spring' conditions) produced only 0.02 mm of deformation; ii) neither ice, nor water pressure (direct tension and hydraulic fracturing respectively) caused measurable irreversible crack widening during short-term tests, as the calculated maximum stress intensity at the crack tip was less than the fracture toughness of our granite sample; iii) development of ice pressure is closely related to the mechanical properties of the fracture in which it forms, and as such, the interaction of ice and rock is intrinsically dynamic; iv) irreversible crack widening (about 0.03mm) was only observed following a long-term (53 day) experiment representing a simplified transition from autumn to winter conditions. We suggest this is the result of stress corrosion aided by strong opening during freezing, and to a lesser degree by ice segregation up to one week after the initial freezing period, and downward migration of liquid water during the remainder of the test. Our results suggest the fundamental assumption of frost wedging, that rapid freezing from open ends of cracks can seal water inside the crack and thus cause damage through excessive stresses induced by volumetric expansion seems questionable.

A Semiarid Long-Term Hydrologic Observatory at the Continental Scale: The Upper Río Grande Basin

NASA Astrophysics Data System (ADS)

Hogan, J. F.; Vivoni, E. R.; Bowman, R. S.; Coonrod, J.; Thomson, B. M.; Samani, Z.; Ferre, P. T.; Phillips, F. M.; Rango, A.; Rasmussen, R.; Springer, E. P.; Small, E. E.

2004-12-01

Water availability is critical in arid and semiarid regions, which comprise 35 percent of the land area of the globe. In the Southwestern US, climate variability and landscape heterogeneity lead to strong gradients in hydrological processes, which in turn impact land-atmosphere interactions, ecological dynamics, biogeochemical cycles and geomorphic change. This complexity presents a fundamental challenge to our understanding of hydrology, one that is best addressed through long-term, systematic field and remote-sensing observations and numerical-model investigations. In this poster, we will present our plans to study the interaction of climate-landscape-vegetation and water using a nested set of instrumented sites within the Upper Río Grande, a continental-scale semiarid watershed. This complex watershed extends from the snow-dominated headwater basins in San Juan Mountains of southern Colorado, through the Chihuahuan Desert in New Mexico, Texas and Mexico, to the desert valley alluvial basins southeast of El Paso, Texas. As part of the Consortium of Universities for the Advancement of Hydrologic Science, Inc. (CUAHSI) plan for a network of Long-Term Hydrologic Observatories (LTHOs), the Upper Río Grande would represent the combination of mountain landscapes, semiarid to arid alluvial basin aquifers and riparian corridors that are characteristic of the Western United States. We will describe existing hydrologic, ecologic and atmospheric measurement infrastructure in the watershed and discuss plans for integrating these into a coherent network that provides a core set of scientific data products for the hydrologic community. Data products generated by the Upper Río Grande LTHO will also aid in the testing of coupled numerical models of the atmosphere-surface-groundwater system applied at high resolution over the region. The Upper Río Grande presents unique opportunities to test hydrologic hypotheses concerning surface water-groundwater interactions and their control on runoff response, solute transport and reactivity, and riparian ecological communities

Poly(vinyl methyl ether) hydrogels at temperatures below the freezing point of water-molecular interactions and states of water.

PubMed

Pastorczak, Marcin; Dominguez-Espinosa, Gustavo; Okrasa, Lidia; Pyda, Marek; Kozanecki, Marcin; Kadlubowski, Slawomir; Rosiak, Janusz M; Ulanski, Jacek

2014-01-01

Water interacting with a polymer reveals a number of properties very different to bulk water. These interactions lead to the redistribution of hydrogen bonds in water. It results in modification of thermodynamic properties of water and the molecular dynamics of water. That kind of water is particularly well observable at temperatures below the freezing point of water, when the bulk water crystallizes. In this work, we determine the amount of water bound to the polymer and of the so-called pre-melting water in poly(vinyl methyl ether) hydrogels with the use of Raman spectroscopy, dielectric spectroscopy, and calorimetry. This analysis allows us to compare various physical properties of the bulk and the pre-melting water. We also postulate the molecular mechanism responsible for the pre-melting of part of water in poly(vinyl methyl ether) hydrogels. We suggest that above -60 °C, the first segmental motions of the polymer chain are activated, which trigger the process of the pre-melting.

Oxygen transfer in a full-depth biological aerated filter.

PubMed

Stenstrom, Michael K; Rosso, Diego; Melcer, Henryk; Appleton, Ron; Occiano, Victor; Langworthy, Alan; Wong, Pete

2008-07-01

The City of San Diego, California, evaluated the performance capabilities of biological aerated filters (BAFs) at the Point Loma Wastewater Treatment Plant. The City conducted a 1-year pilot-plant evaluation of BAF technology supplied by two BAF manufacturers. This paper reports on the first independent oxygen-transfer test of BAFs at full depth using the offgas method. The tests showed process-water oxygen-transfer efficiencies of 1.6 to 5.8%/m (0.5 to 1.8%/ft) and 3.9 to 7.9%/m (1.2 to 2.4%/ft) for the two different pilot plants, at their nominal design conditions. Mass balances using chemical oxygen demand and dissolved organic carbon corroborated the transfer rates. Rates are higher than expected from fine-pore diffusers for similar process conditions and depths and clean-water conditions for the same column and are mostly attributed to extended bubble retention time resulting from interactions with the media and biofilm.

Detailed Modeling of Distillation Technologies for Closed-Loop Water Recovery Systems

NASA Technical Reports Server (NTRS)

Allada, Rama Kumar; Lange, Kevin E.; Anderson, Molly S.

2011-01-01

Detailed chemical process simulations are a useful tool in designing and optimizing complex systems and architectures for human life support. Dynamic and steady-state models of these systems help contrast the interactions of various operating parameters and hardware designs, which become extremely useful in trade-study analyses. NASA?s Exploration Life Support technology development project recently made use of such models to compliment a series of tests on different waste water distillation systems. This paper presents efforts to develop chemical process simulations for three technologies: the Cascade Distillation System (CDS), the Vapor Compression Distillation (VCD) system and the Wiped-Film Rotating Disk (WFRD) using the Aspen Custom Modeler and Aspen Plus process simulation tools. The paper discusses system design, modeling details, and modeling results for each technology and presents some comparisons between the model results and recent test data. Following these initial comparisons, some general conclusions and forward work are discussed.

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas; Tsao, Jen-Ching; Struk, Peter

2017-01-01

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines.

Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework

DOE PAGES

Wu, Di; Guo, Xiaofeng; Sun, Hui; ...

2016-03-24

Here, the enthalpy of water adsorption (Δh) on the metal–organic framework (MOF) HKUST-1 has been determined directly by calorimetry. The most exothermic value of Δh [–119.4 ± 0.5 kJ/(mol of water)] occurs at zero coverage and perhaps represents water confinement in the smallest (4-Å) cages. An intermediate Δh value of –50.2 ± 1.8 kJ/(mol of water) at higher loading probably corresponds to the binding of water on the available Cu nodes and subsequent filling of the largest (11-Å) pores. The weakest interactions take place in the medium (10-Å) cages, showing weak inclusion of water clusters in a limited hydrophobic environment.more » By combining ethanol adsorption calorimetry, mathematical analysis of the slope of the water adsorption isotherm, and the differential enthalpy of water adsorption curve, we are able not only to develop an approach to separate energetically multistage guest–host interactions in complex MOF architectures but also to distinguish a sequence of interactions with very similar energetic effects.« less

Subsurface And Surface Water Flow Interactions

EPA Science Inventory

In this chapter we present basic concepts and principles underlying the phenomena of groundwater and surface water interactions. Fundamental equations and analytical and numerical solutions describing stream-aquifer interactions are presented in hillslope and riparian aquifer en...

Quantifying Wheat Sensitivities to Environmental Constraints to Dissect Genotype × Environment Interactions in the Field1[OPEN

PubMed Central

Maphosa, Lance; Kovalchuk, Alex

2017-01-01

Yield is subject to strong genotype-by-environment (G × E) interactions in the field, especially under abiotic constraints such as soil water deficit (drought [D]) and high temperature (heat [H]). Since environmental conditions show strong fluctuations during the whole crop cycle, geneticists usually do not consider environmental measures as quantitative variables but rather as factors in multienvironment analyses. Based on 11 experiments in a field platform with contrasting temperature and soil water deficit, we determined the periods of sensitivity to drought and heat constraints in wheat (Triticum aestivum) and determined the average sensitivities for major yield components. G × E interactions were separated into their underlying components, constitutive genotypic effect (G), G × D, G × H, and G × H × D, and were analyzed for two genotypes, highlighting contrasting responses to heat and drought constraints. We then tested the constitutive and responsive behaviors of two strong quantitative trait loci (QTLs) associated previously with yield components. This analysis confirmed the constitutive effect of the chromosome 1B QTL and explained the G × E interaction of the chromosome 3B QTL by a benefit of one allele when temperature rises. In addition to the method itself, which can be applied to other data sets and populations, this study will support the cloning of a major yield QTL on chromosome 3B that is highly dependent on environmental conditions and for which the climatic interaction is now quantified. PMID:28546436

Adsorption of pharmaceuticals in water through lignocellulosic fibers synergism.

PubMed

Moro, Tatiana Rojo; Henrique, Francini Reis; Malucelli, Lucca Centa; de Oliveira, Cíntia Mara Ribas; da Silva Carvalho Filho, Marco Aurélio; de Vasconcelos, Eliane Carvalho

2017-03-01

The contamination of water from disposal of drugs is an emerging problem due to their consequences on trophic webs. This study evaluated the ability of sugarcane and coconut fiber to reduce water toxicity contaminated by pharmaceuticals. The toxicity of solutions containing pharmaceuticals was studied by bioassay using Allium cepa, before and after filtration of contaminated water. The coconut and sugarcane fiber have not been satisfactory in reducing toxicity when tested separately. Despite no induction of chromosomal aberrations, our study found a reduction of the mitotic index. The mixture of fibers showed better results providing total reduction of toxicity, in addition to maintenance in the mitotic index and induction of chromosome aberrations. The interaction between fibers and drugs was confirmed by Thermogravimetry and Differential Thermal Analyses (TG/DTA) which presented differences in profile between the fibers before and after adsorption. The mixture of coconut and sugarcane proved viable for reduction of toxicity in contaminated water by a mixture of pharmaceuticals. Copyright © 2016 Elsevier Ltd. All rights reserved.

The WISGSK: A computer code for the prediction of a multistage axial compressor performance with water ingestion

NASA Technical Reports Server (NTRS)

Tsuchiya, T.; Murthy, S. N. B.

1982-01-01

A computer code is presented for the prediction of off-design axial flow compressor performance with water ingestion. Four processes were considered to account for the aero-thermo-mechanical interactions during operation with air-water droplet mixture flow: (1) blade performance change, (2) centrifuging of water droplets, (3) heat and mass transfer process between the gaseous and the liquid phases and (4) droplet size redistribution due to break-up. Stage and compressor performance are obtained by a stage stacking procedure using representative veocity diagrams at a rotor inlet and outlet mean radii. The Code has options for performance estimation with (1) mixtures of gas and (2) gas-water droplet mixtures, and therefore can take into account the humidity present in ambient conditions. A test case illustrates the method of using the Code. The Code follows closely the methodology and architecture of the NASA-STGSTK Code for the estimation of axial-flow compressor performance with air flow.

Detection and persistence of environmental DNA from an invasive, terrestrial mammal.

PubMed

Williams, Kelly E; Huyvaert, Kathryn P; Vercauteren, Kurt C; Davis, Amy J; Piaggio, Antoinette J

2018-01-01

Invasive Sus scrofa , a species commonly referred to as wild pig or feral swine, is a destructive invasive species with a rapidly expanding distribution across the United States. We used artificial wallows and small waterers to determine the minimum amount of time needed for pig eDNA to accumulate in the water source to a detectable level. We removed water from the artificial wallows and tested eDNA detection over the course of 2 weeks to understand eDNA persistence. We show that our method is sensitive enough to detect very low quantities of eDNA shed by a terrestrial mammal that has limited interaction with water. Our experiments suggest that the number of individuals shedding into a water system can affect persistence of eDNA. Use of an eDNA detection technique can benefit management efforts by providing a sensitive method for finding even small numbers of individuals that may be elusive using other methods.

Metal transport and remobilisation in a basin affected by acid mine drainage: the role of ochreous amorphous precipitates.

PubMed

Consani, Sirio; Carbone, Cristina; Dinelli, Enrico; Balić-Žunić, Tonci; Cutroneo, Laura; Capello, Marco; Salviulo, Gabriella; Lucchetti, Gabriella

2017-06-01

Metal-polluted mine waters represent a major threat to the quality of waters and sediments in a downstream basin. At the confluence between acidic mine waters and the unpolluted waters of the Gromolo Torrent (Liguria, North-West Italy), the massive formation of an ochreous amorphous precipitate takes place. This precipitate forms a soft blanket that covers the torrent bed and can be observed down to its mouth in the sea. The aim of this work is to evaluate the dispersion of metals in the Gromolo Torrent basin from the abandoned Cu-Fe sulphide mine of Libiola to the Ligurian Sea and to assess the metal remobilisation from the amorphous precipitates. The mineralogy of the superficial sediments collected in the torrent bed and the concentrations of different elements of environmental concern (Cu, Zn, Cd, Co, Cr, Mn, Ni, Pb, As, and Sb) were therefore analysed. The results showed that the precipitates contain high concentration of Fe, Al, Cu, and Zn, significantly modifying the bulk chemistry of the Gromolo Torrent sediments. In order to evaluate the possible remobilisation of ecotoxic elements from the amorphous precipitates, bulk leaching tests were performed with both deionised and seawater. Bulk leaching tests with deionised water mobilised primarily high Pb amounts, but also relatively high concentrations of Fe, Al, Cu, and Zn are released in the leachate. In seawater tests, Fe, Al, Cu, and Zn were released in smaller amounts, while other elements like Mn, Cd, Co, and Ni increased in the released fraction. Pb was still strongly released as in deionised water experiments. The results show that the interaction of precipitates and seawater can remobilise high concentrations of metals, thus affecting the surrounding environment.

Molecular interactions in a surfactant-water-polyacrylamide system, according to densimetry, viscometry, conductometry, and spectroscopy data

NASA Astrophysics Data System (ADS)

Harutyunyan, R. S.

2013-08-01

Molecular interactions in a surfactant-polyacrylamide-water system are investigated. It is established that the interactions affect such physicochemical parameters of the system as viscosity, density, surface tension, conductivity, and critical micelle concentration. It is shown that in a polyacrylamide-water system, raising the polyacrylamide concentration to 0.02% causes conformational changes in its macromolecule.

Demonstration of a Porous Tube Hydroponic System to Control Plant Moisture and Growth

NASA Technical Reports Server (NTRS)

Dreschel, T. W.; Hall, C. R.; Foster, T. E.

2003-01-01

Accurate remote detection of plant health indicators such as moisture, plant pigment concentrations, photosynthetic flux, and other biochemicals in canopies is a major goal in plant research. Influencing factors include complex interactions between wavelength dependent absorbing and scattering features from backgrounds as well as canopy biochemical and biophysical constituents. Accurately controlling these factors in outdoor field studies is difficult. Early testing of a porous tube plant culture system has indicated that plant biomass production, biomass partitioning, and leaf moisture of plants can be controlled by precisely managing the root water potential. Managing nutrient solution chemistry can also control plant pigments, biochemical concentrations, plant biomass production, and photosynthetic rates. A test bed was developed which utilized the porous tube technology with the intent of evaluating remote sensing systems, spectral analyses procedures, gas-exchange, and fluorescence measurements for their ability to detect small differences in plant water status. Spectral analysis was able to detect small differences in the mean leaf water content between the treatments. However these small differences were not detectable in the gas-exchange or fluorescence measurements.

Proof of concept: temperature-sensing waders for environmental sciences

NASA Astrophysics Data System (ADS)

Hut, Rolf; Tyler, Scott; van Emmerik, Tim

2016-02-01

A prototype temperature-sensing pair of waders is introduced and tested. The water temperature at the streambed is interesting both for scientists studying the hyporheic zone and for, e.g., fishers spotting good fishing locations. A temperature sensor incorporated into waders worn by members of the public can give scientists an additional source of information on stream-water-groundwater interaction. A pair of waders was equipped with a thermistor and calibrated in the lab. Tests with both the waders and a reference thermometer in a deep polder ditch with a known localized groundwater contribution (i.e., boil) showed that the temperature-sensing waders are capable of identifying the boil location. However, the temperature-sensing waders showed a less pronounced response to changing water temperature compared to the reference thermometer, most likely due to the heat capacity of the person in the waders. This research showed that data from temperature-sensing waders worn by the public and shared with scientists can be used to decide where the most interesting places are to do more detailed and more expensive research.

Computer simulations for the Mars Atmospheric and Volatile EvolutioN (MAVEN) mission through NASA's "Project Spectra!"

NASA Astrophysics Data System (ADS)

Christofferson, R.; Wood, E. L.; Euler, G.

2012-12-01

"Project Spectra!" is a standards-based light science and engineering program on solar system exploration that includes both hands-on paper and pencil activities as well as Flash-based computer games that help students solidify understanding of high-level planetary and solar physics. Using computer interactive games where students experience and manipulate the information makes abstract concepts accessible. Visualizing lessons with multi-media tools solidifies understanding and retention of knowledge. Since students can choose what to watch and explore, the interactives accommodate a broad range of learning styles. Students can go back and forth through the interactives if they've missed a concept or wish to view something again. In the end, students are asked critical thinking questions and conduct web-based research. As a part of the Mars Atmospheric and Volatile EvolutioN (MAVEN) mission education programming, we've developed two new "Project Spectra!" interactives that go hand-in-hand with a paper and pencil activity. The MAVEN mission will study volatiles in the upper atmosphere to help piece together Mars' climate history. In the first interactive, students explore black body radiation, albedo, and a simplified greenhouse effect to establish what factors contribute to overall planetary temperature and how they contribute. Students are asked to create a scenario in which a planet they build and design is able to maintain liquid water on the surface. In the second interactive, students are asked to consider Mars and the conditions needed for Mars to support water on the surface, keeping some variables fixed. Ideally, students will walk away with the very basic and critical elements required for climate studies, which has far-reaching implications beyond the study of Mars. These interactives are currently being pilot tested at Arvada High School in Colorado.

A distinct and replicable variant of the squamous cell carcinoma gene inositol polyphosphate-5-phosphatase modifies the susceptibility of arsenic-associated skin lesions in Bangladesh.

PubMed

Seow, Wei Jie; Pan, Wen-Chi; Kile, Molly L; Tong, Lin; Baccarelli, Andrea A; Quamruzzaman, Quazi; Rahman, Mahmuder; Mostofa, Golam; Rakibuz-Zaman, Muhammad; Kibriya, Muhammad; Ahsan, Habibul; Lin, Xihong; Christiani, David C

2015-07-01

Single-nucleotide polymorphisms (SNPs) in inflammation, one-carbon metabolism, and skin cancer genes might influence susceptibility to arsenic-induced skin lesions. A case-control study was conducted in Pabna, Bangladesh (2001-2003), and the drinking-water arsenic concentration was measured for each participant. A panel of 25 candidate SNPs was analyzed in 540 cases and 400 controls. Logistic regression was used to estimate the association between each SNP and the potential for gene-environment interactions in the skin lesion risk, with adjustments for relevant covariates. Replication testing was conducted in an independent Bangladesh population with 488 cases and 2,794 controls. In the discovery population, genetic variants in the one-carbon metabolism genes phosphatidylethanolamine N-methyltransferase (rs2278952, P for interaction  = .004; rs897453, P for interaction = .05) and dihydrofolate reductase (rs1650697, P for interaction = .02), the inflammation gene interleukin 10 (rs3024496, P for interaction =.04), and the skin cancer genes inositol polyphosphate-5-phosphatase (INPP5A; rs1133400, P for interaction = .03) and xeroderma pigmentosum complementation group C (rs2228000, P for interaction = .01) significantly modified the association between arsenic and skin lesions after adjustments for multiple comparisons. The significant gene-environment interaction between a SNP in the INPP5A gene (rs1133400) and water arsenic with respect to the skin lesion risk was successfully replicated in an independent population (P for interaction = .03). Minor allele carriers of the skin cancer gene INPP5A modified the odds of arsenic-induced skin lesions in both main and replicative populations. Genetic variation in INPP5A appears to have a role in susceptibility to arsenic toxicity. © 2015 American Cancer Society.

Computer simulations for the Mars Atmospheric and Volatile EvolutioN (MAVEN) mission through NASA's 'Project Spectra!'

NASA Astrophysics Data System (ADS)

Wood, E. L.

2013-12-01

'Project Spectra!' is a standards-based light science and engineering program on solar system exploration that includes both hands-on paper and pencil activities as well as Flash-based computer games that help students solidify understanding of high-level planetary and solar physics. Using computer interactive games where students experience and manipulate the information makes abstract concepts accessible. Visualizing lessons with multi-media tools solidifies understanding and retention of knowledge. Since students can choose what to watch and explore, the interactives accommodate a broad range of learning styles. Students can go back and forth through the interactives if they've missed a concept or wish to view something again. In the end, students are asked critical thinking questions and conduct web-based research. As a part of the Mars Atmospheric and Volatile EvolutioN (MAVEN) mission education programming, we've developed two new 'Project Spectra!' interactives that go hand-in-hand with a paper and pencil activity. The MAVEN mission will study volatiles in the upper atmosphere to help piece together Mars' climate history. In the first interactive, students explore black body radiation, albedo, and a simplified greenhouse effect to establish what factors contribute to overall planetary temperature and how they contribute. Students are asked to create a scenario in which a planet they build and design is able to maintain liquid water on the surface. In the second interactive, students are asked to consider Mars and the conditions needed for Mars to support water on the surface, keeping some variables fixed. Ideally, students will walk away with the very basic and critical elements required for climate studies, which has far-reaching implications beyond the study of Mars. These interactives were pilot tested at Arvada High School in Colorado.

Double torsion fracture mechanics testing of shales under chemically reactive conditions

NASA Astrophysics Data System (ADS)

Chen, X.; Callahan, O. A.; Holder, J. T.; Olson, J. E.; Eichhubl, P.

2015-12-01

Fracture properties of shales is vital for applications such as shale and tight gas development, and seal performance of carbon storage reservoirs. We analyze the fracture behavior from samples of Marcellus, Woodford, and Mancos shales using double-torsion (DT) load relaxation fracture tests. The DT test allows the determination of mode-I fracture toughness (KIC), subcritical crack growth index (SCI), and the stress-intensity factor vs crack velocity (K-V) curves. Samples are tested at ambient air and aqueous conditions with variable ionic concentrations of NaCl and CaCl2, and temperatures up to 70 to determine the effects of chemical/environmental conditions on fracture. Under ambient air condition, KIC determined from DT tests is 1.51±0.32, 0.85±0.25, 1.08±0.17 MPam1/2 for Marcellus, Woodford, and Mancos shales, respectively. Tests under water showed considerable change of KIC compared to ambient condition, with 10.6% increase for Marcellus, 36.5% decrease for Woodford, and 6.7% decrease for Mancos shales. SCI under ambient air condition is between 56 and 80 for the shales tested. The presence of water results in a significant reduction of the SCI from 70% to 85% compared to air condition. Tests under chemically reactive solutions are currently being performed with temperature control. K-V curves under ambient air conditions are linear with stable SCI throughout the load-relaxation period. However, tests conducted under water result in an initial cracking period with SCI values comparable to ambient air tests, which then gradually transition into stable but significantly lower SCI values of 10-20. The non-linear K-V curves reveal that crack propagation in shales is initially limited by the transport of chemical agents due to their low permeability. Only after the initial cracking do interactions at the crack tip lead to cracking controlled by faster stress corrosion reactions. The decrease of SCI in water indicates higher crack propagation velocity due to faster stress corrosion rate in water than in ambient air. The experimental results are applicable for the prediction of fracture initiation based on KIC, modeling fracture pattern based on SCI, and the estimation of dynamic fracture propagation such as crack growth velocity and crack re-initiation.

Conservative and reactive solute transport in constructed wetlands

USGS Publications Warehouse

Keefe, Steffanie H.; Barber, Larry B.; Runkel, Robert L.; Ryan, Joseph N.; McKnight, Diane M.; Wass, Roland D.

2004-01-01

The transport of bromide, a conservative tracer, and rhodamine WT (RWT), a photodegrading tracer, was evaluated in three wastewater‐dependent wetlands near Phoenix, Arizona, using a solute transport model with transient storage. Coupled sodium bromide and RWT tracer tests were performed to establish conservative transport and reactive parameters in constructed wetlands with water losses ranging from (1) relatively impermeable (15%), (2) moderately leaky (45%), and (3) significantly leaky (76%). RWT first‐order photolysis rates and sorption coefficients were determined from independent field and laboratory experiments. Individual wetland hydraulic profiles influenced the extent of transient storage interaction in stagnant water areas and consequently RWT removal. Solute mixing and transient storage interaction occurred in the impermeable wetland, resulting in 21% RWT mass loss from main channel and storage zone photolysis (10%) and sorption (11%) reactions. Advection and dispersion governed solute transport in the leaky wetland, limiting RWT photolysis removal (1.2%) and favoring main channel sorption (3.6%). The moderately leaky wetland contained islands parallel to flow, producing channel flow and minimizing RWT losses (1.6%).

Interactions of anesthetics with the water-hexane interface. A molecular dynamics study

NASA Technical Reports Server (NTRS)

Chipot, C.; Wilson, M. A.; Pohorille, A.

1997-01-01

The free energy profiles characterizing the transfer of nine solutes across the liquid-vapor interfaces of water and hexane and across the water-hexane interface were calculated from molecular dynamics simulations. Among the solutes were n-butane and three of its halogenated derivatives, as well as three halogenated cyclobutanes. The two remaining molecules, dichlorodifluoromethane and 1,2-dichloroperfluoroethane, belong to series of halo-substituted methanes and ethanes, described in previous studies (J. Chem. Phys. 1996, 104, 3760; Chem. Phys. 1996, 204, 337). Each series of molecules contains structurally similar compounds that differ greatly in anesthetic potency. The accuracy of the simulations was tested by comparing the calculated and the experimental free energies of solvation of all nine compounds in water and in hexane. In addition. the calculated and the measured surface excess concentrations of n-butane at the water liquid-vapor interface were compared. In all cases, good agreement with experimental results was found. At the water-hexane interface, the free energy profiles for polar molecules exhibited significant interfacial minima, whereas the profiles for nonpolar molecules did not. The existence of these minima was interpreted in terms of a balance between the free energy contribution arising from solute-solvent interactions and the work to form a cavity that accommodates the solute. These two contributions change monotonically, but oppositely, across the interface. The interfacial solubilities of the solutes, obtained from the free energy profiles, correlate very well with their anesthetic potencies. This is the case even when the Meyer-Overton hypothesis, which predicts a correlation between anesthetic potency and solubility in oil, fails.

High throughput research and evaporation rate modeling for solvent screening for ethylcellulose barrier membranes in pharmaceutical applications.

PubMed

Schoener, Cody A; Curtis-Fisk, Jaime L; Rogers, True L; Tate, Michael P

2016-10-01

Ethylcellulose is commonly dissolved in a solvent or formed into an aqueous dispersion and sprayed onto various dosage forms to form a barrier membrane to provide controlled release in pharmaceutical formulations. Due to the variety of solvents utilized in the pharmaceutical industry and the importance solvent can play on film formation and film strength it is critical to understand how solvent can influence these parameters. To systematically study a variety of solvent blends and how these solvent blends influence ethylcellulose film formation, physical and mechanical film properties and solution properties such as clarity and viscosity. Using high throughput capabilities and evaporation rate modeling, thirty-one different solvent blends composed of ethanol, isopropanol, acetone, methanol, and/or water were formulated, analyzed for viscosity and clarity, and narrowed down to four solvent blends. Brookfield viscosity, film casting, mechanical film testing and water permeation were also completed. High throughput analysis identified isopropanol/water, ethanol, ethanol/water and methanol/acetone/water as solvent blends with unique clarity and viscosity values. Evaporation rate modeling further rank ordered these candidates from excellent to poor interaction with ethylcellulose. Isopropanol/water was identified as the most suitable solvent blend for ethylcellulose due to azeotrope formation during evaporation, which resulted in a solvent-rich phase allowing the ethylcellulose polymer chains to remain maximally extended during film formation. Consequently, the highest clarity and most ductile films were formed. Employing high throughput capabilities paired with evaporation rate modeling allowed strong predictions between solvent interaction with ethylcellulose and mechanical film properties.

Quantitative comparisons of three modeling approaches for characterizing drought response of a highly variable, widely grown crop species

NASA Astrophysics Data System (ADS)

Pleban, J. R.; Mackay, D. S.; Aston, T.; Ewers, B. E.; Wienig, C.

2013-12-01

Quantifying the drought tolerance of crop species and genotypes is essential in order to predict how water stress may impact agricultural productivity. As climate models predict an increase in both frequency and severity of drought corresponding plant hydraulic and biochemical models are needed to accurately predict crop drought tolerance. Drought can result in cavitation of xylem conduits and related loss of plant hydraulic conductivity. This study tested the hypothesis that a model incorporating a plants vulnerability to cavitation would best assess drought tolerance in Brassica rapa. Four Brassica genotypes were subjected to drought conditions at a field site in Laramie, WY. Concurrent leaf gas exchange, volumetric soil moisture content and xylem pressure measurements were made during the drought period. Three models were used to access genotype specific drought tolerance. All 3 models rely on the Farquhar biochemical/biophysical model of leaf level photosynthesis, which is integrated into the Terrestrial Regional Ecosystem Exchange Simulator (TREES). The models differ in how TREES applies the environmental driving data and plant physiological mechanisms; specifically how water availability at the site of photosynthesis is derived. Model 1 established leaf water availability from a modeled soil moisture content; Model 2 input soil moisture measurements directly to establish leaf water availability; Model 3 incorporated the Sperry soil-plant transport model, which calculates flows and pressure along the soil-plant water transport pathway to establish leaf water availability. This third model incorporated measured xylem pressures thus constraining leaf water availability via genotype specific vulnerability curves. A multi-model intercomparison was made using a Bayesian approach, which assessed the interaction between uncertainty in model results and data. The three models were further evaluated by assessing model accuracy and complexity via deviance information criteria (DIC). Results suggest that model 1 was unable to model soil moisture accurately and thus did not effectively characterize drought tolerance. Models 2 and 3 were both effective at characterizing drought tolerance; model 3 preformed best in genotypes with the highest vulnerability to cavitation. By identifying through both Bayesian and DIC analyses models that best characterize drought tolerance future investigations into the interaction between crop productivity and water use can be informed by hypothesis testing using models prior to experimentation.

Interfacial free energy governs single polystyrene chain collapse in water and aqueous solutions.

PubMed

Li, Isaac T S; Walker, Gilbert C

2010-05-12

The hydrophobic interaction is significantly responsible for driving protein folding and self-assembly. To understand it, the thermodynamics, the role of water structure, the dewetting process surrounding hydrophobes, and related aspects have undergone extensive investigations. Here, we examine the hypothesis that polymer-solvent interfacial free energy is adequate to describe the energetics of the collapse of a hydrophobic homopolymer chain at fixed temperature, which serves as a much simplified model for studying the hydrophobic collapse of a protein. This implies that changes in polymer-solvent interfacial free energy should be directly proportional to the force to extend a collapsed polymer into a bad solvent. To test this hypothesis, we undertook single-molecule force spectroscopy on a collapsed, single, polystyrene chain in water-ethanol and water-salt mixtures where we measured the monomer solvation free energy from an ensemble average conformations. Different proportions within the binary mixture were used to create solvents with different interfacial free energies with polystyrene. In these mixed solvents, we observed a linear correlation between the interfacial free energy and the force required to extend the chain into solution, which is a direct measure of the solvation free energy per monomer on a single chain at room temperature. A simple analytical model compares favorably with the experimental results. This knowledge supports a common assumption that explicit water solvent may not be necessary for cases whose primary concerns are hydrophobic interactions and hydrophobic hydration.

Using SWAT-MODFLOW to simulate groundwater flow and groundwater-surface water interactions in an intensively irrigated stream-aquifer system

NASA Astrophysics Data System (ADS)

Wei, X.; Bailey, R. T.

2017-12-01

Agricultural irrigated watersheds in semi-arid regions face challenges such as waterlogging, high soil salinity, reduced crop yield, and leaching of chemical species due to extreme shallow water tables resulting from long-term intensive irrigation. Hydrologic models can be used to evaluate the impact of land management practices on water yields and groundwater-surface water interactions in such regions. In this study, the newly developed SWAT-MODFLOW, a coupled surface/subsurface hydrologic model, is applied to a 950 km2 watershed in the Lower Arkansas River Valley (southeastern Colorado). The model accounts for the influence of canal diversions, irrigation applications, groundwater pumping, and earth canal seepage losses. The model provides a detailed description of surface and subsurface flow processes, thereby enabling detailed description of watershed processes such as runoff, infiltration, in-streamflow, three-dimensional groundwater flow in a heterogeneous aquifer system with sources and sinks (e.g. pumping, seepage to subsurface drains), and spatially-variable surface and groundwater exchange. The model was calibrated and tested against stream discharge from 5 stream gauges in the Arkansas River and its tributaries, groundwater levels from 70 observation wells, and evapotranspiration (ET) data estimated from satellite (ReSET) data during the 1999 to 2007 period. Since the water-use patterns within the study area are typical of many other irrigated river valleys in the United States and elsewhere, this modeling approach is transferable to other regions.

Dual sources of water overprinting on the low zircon δ18O metamorphic country rocks: Disequilibrium constrained through inverse modelling of partial reequilibration

PubMed Central

Wei, Chun-Sheng; Zhao, Zi-Fu

2017-01-01

Since water is only composed of oxygen and hydrogen, δ18O and δ2H values are thus utilized to trace the origin of water(s) and quantify the water-rock interactions. While Triassic high pressure (HP) and ultrahigh pressure (UHP) metamorphic rocks across the Dabie-Sulu orogen in central-eastern China have been well documented, postcollisional magmatism driven hydrothermal systems are little known. Here we show that two sources of externally derived water interactions were revealed by oxygen isotopes for the gneissic country rocks intruded by the early Cretaceous postcollisional granitoids. Inverse modellings indicate that the degree of disequilibrium (doD) of meteoric water interactions was more evident than that of magmatic one (−65 ± 1o vs. −20 ± 2°); the partial reequilibration between quartz and alkali feldspar oxygen isotopes with magmatic water was achieved at 340 °C with a water/rock (W/R) ratio of about 1.2 for an open-hydrothermal system; two-stage meteoric water interactions were unraveled with reequilibration temperatures less than 300 °C and W/R ratios around 0.4. The lifetime of fossil magmatic hydrothermal system overprinted on the low zircon δ18O orthogneissic country rocks was estimated to maintain up to 50 thousand years (Kyr) through oxygen exchange modellings. Four-stage isotopic evolutions were proposed for the magmatic water interacted gneiss. PMID:28091552

Visual Detection of Speckles in the Fish Xenotoca variata by the Predatory Snake Thamnophis melanogaster in Water of Different Turbidity

PubMed Central

Manjarrez, Javier; Rivas-González, Eric; Venegas-Barrera, Crystian S.; Moyaho, Alejandro

2015-01-01

Semi-aquatic snakes integrate visual and chemical stimuli, and prey detection and capture success are therefore linked to the display of visual predatory behavior. The snake Thamnophis melanogaster responds preferentially to individuals of the fish Xenotoca variata with a greater number of bright, colorful spots (lateral speckles) compared with those with a smaller number; however, water turbidity can reduce underwater visibility and effect the vulnerability of fish. In this study, we tested whether the presence of iridescent speckles on the flanks of male X. variata interacted with water turbidity to modify the predatory behavior displayed by the snake T. melanogaster. We predicted that in an experimental laboratory test, the snakes would increase the frequency of their predatory behavior to the extent that the water turbidity decreases. The snakes were tested at six different levels of water turbidity, in combination with three categories of male fish (with few, a median number of, or many speckles). The results showed that in a pool with high or zero turbidity, the number of speckles is not a determining factor in the deployment of the predatory behavior of the snake T. melanogaster toward X. variata. Our findings suggest that snakes can view the fish at intermediate percentages of turbidity, but the number of speckles in male X. variata is irrelevant as an interspecific visual signal in environments with insufficient luminosity. The successful capture of aquatic prey is influenced by integration between chemical and visual signals, according to environmental factors that may influence the recognition of individual traits. PMID:26061294

Visual Detection of Speckles in the Fish Xenotoca variata by the Predatory Snake Thamnophis melanogaster in Water of Different Turbidity.

PubMed

Manjarrez, Javier; Rivas-González, Eric; Venegas-Barrera, Crystian S; Moyaho, Alejandro

2015-01-01

Semi-aquatic snakes integrate visual and chemical stimuli, and prey detection and capture success are therefore linked to the display of visual predatory behavior. The snake Thamnophis melanogaster responds preferentially to individuals of the fish Xenotoca variata with a greater number of bright, colorful spots (lateral speckles) compared with those with a smaller number; however, water turbidity can reduce underwater visibility and effect the vulnerability of fish. In this study, we tested whether the presence of iridescent speckles on the flanks of male X. variata interacted with water turbidity to modify the predatory behavior displayed by the snake T. melanogaster. We predicted that in an experimental laboratory test, the snakes would increase the frequency of their predatory behavior to the extent that the water turbidity decreases. The snakes were tested at six different levels of water turbidity, in combination with three categories of male fish (with few, a median number of, or many speckles). The results showed that in a pool with high or zero turbidity, the number of speckles is not a determining factor in the deployment of the predatory behavior of the snake T. melanogaster toward X. variata. Our findings suggest that snakes can view the fish at intermediate percentages of turbidity, but the number of speckles in male X. variata is irrelevant as an interspecific visual signal in environments with insufficient luminosity. The successful capture of aquatic prey is influenced by integration between chemical and visual signals, according to environmental factors that may influence the recognition of individual traits.

Space Suit Portable Life Support System Test Bed (PLSS 1.0) Development and Testing

NASA Technical Reports Server (NTRS)

Watts, Carly; Campbell, Colin; Vogel, Matthew; Conger, Bruce

2012-01-01

A multi-year effort has been carried out at NASA-JSC to develop an advanced extra-vehicular activity Portable Life Support System (PLSS) design intended to further the current state of the art by increasing operational flexibility, reducing consumables, and increasing robustness. Previous efforts have focused on modeling and analyzing the advanced PLSS architecture, as well as developing key enabling technologies. Like the current International Space Station Extra-vehicular Mobility Unit PLSS, the advanced PLSS comprises three subsystems required to sustain the crew during extra-vehicular activity including the Thermal, Ventilation, and Oxygen Subsystems. This multi-year effort has culminated in the construction and operation of PLSS 1.0, a test bed that simulates full functionality of the advanced PLSS design. PLSS 1.0 integrates commercial off the shelf hardware with prototype technology development components, including the primary and secondary oxygen regulators, Ventilation Subsystem fan, Rapid Cycle Amine swingbed carbon dioxide and water vapor removal device, and Spacesuit Water Membrane Evaporator heat rejection device. The overall PLSS 1.0 test objective was to demonstrate the capability of the Advanced PLSS to provide key life support functions including suit pressure regulation, carbon dioxide and water vapor removal, thermal control and contingency purge operations. Supplying oxygen was not one of the specific life support functions because the PLSS 1.0 test was not oxygen rated. Nitrogen was used for the working gas. Additional test objectives were to confirm PLSS technology development components performance within an integrated test bed, identify unexpected system level interactions, and map the PLSS 1.0 performance with respect to key variables such as crewmember metabolic rate and suit pressure. Successful PLSS 1.0 testing completed 168 test points over 44 days of testing and produced a large database of test results that characterize system level and component performance. With the exception of several minor anomalies, the PLSS 1.0 test rig performed as expected; furthermore, many system responses trended in accordance with pre-test predictions.

Plant Water Content is the Best Predictor of Drought-induced Mortality

NASA Astrophysics Data System (ADS)

Sapes, G.; Roskilly, B.; Dobrowski, S.; Sala, A.

2017-12-01

Predicting drought-induced forest mortality remains extremely challenging. Recent research has shown that both plant hydraulics and stored non-structural carbohydrates (NSC) interact during drought-induced mortality. The strong interaction between these two variables and the fact that they are both difficult to measure render drought-induced plant mortality extremely difficult to monitor and predict. A variable that is easier to measure and that integrates hydraulic transport and carbohydrate dynamics may, therefore, improve our ability to monitor and predict mortality. Here, we tested whether plant water content is such an integrator variable and, therefore, a better predictor of mortality under drought. We subjected 250 two-year-old ponderosa pine seedlings to drought until they died in a greenhouse experiment. Periodically during the dry down, we measured percent loss of hydraulic conductivity (PLC), NSC concentration (starch and soluble sugars), and tissue volumetric water content (VWC) in roots, stems and leaves. At each measurement time, a separate set of seedlings were re-watered to estimate the probability of mortality at the population level. Linear models were used to explore whether PLC and NSC were linked to VWC and to determine which of the three variables predicted mortality the best. As expected, plants lost hydraulic conductivity in stems and roots during the dry down. Starch concentrations also decreased in all organs as the drought proceeded. In contrast, soluble sugars increased in stems and roots, consistent with the conversion of stored NSCs into osmotically active compounds. Models containing both PLC and NSC concentrations as predictors of VWC were highly significant in all organs and at the whole plant level, indicating that water content is influenced by both PLC and NSCs. PLC, NSC, and VWC explained mortality across organs and at the whole plant level, but VWC was the best predictor (R2 = 0.99). Our results indicate that plant water content integrates plant hydraulics and carbohydrate availability, two factors commonly interacting and difficult to tease apart. An important advantage of water content is that it is very easy to measure across scales, from leaves to entire ecosystems through remote sensing.

Simulated effects of development on regional ground-water/surface-water interactions in the northern Coastal Plain of New Jersey

NASA Astrophysics Data System (ADS)

Pucci, Amleto A.; Pope, Daryll A.

1995-05-01

Stream flow in the Coastal Plain of New Jersey is primarily controlled by ground-water discharge. Ground-water flow in a 400 square mile area (1035 km 2) of the Potomac-Raritan-Magothy aquifer system (PRMA) in the northern Coastal Plain of New Jersey was simulated to examine development effects on water resources. Simulations showed that historical development caused significant capture of regional ground-water discharge to streams and wetlands. The Cretaceous PRMA primarily is composed of fine to coarse sand, clays and silts which form the Upper and Middle aquifers and their confining units. The aquifer outcrops are the principal areas of recharge and discharge for the regional flow system and have many traversing streams and surface-water bodies. A quasi-three-dimensional numerical model that incorporated ground-water/surface-water interactions and boundary flows from a larger regional model was used to represent the PRMA. To evaluate the influence of ground-water development on interactions in different areas, hydrogeologically similar and contiguous model stream cells were aggregated as 'stream zones'. The model representation of surface-water and ground-water interaction was limited in the areas of confining unit outcrops and because of this, simulated ground-water discharge could not be directly compared with base flow. Significant differences in simulated ground-water and surface-water interactions between the predevelopment and developed system, include; (1) redistribution of recharge and discharge areas; (2) reduced ground-water discharge to streams. In predevelopment, the primary discharge for the Upper and Middle aquifers is to low-lying streams and wetlands; in the developed system, the primary discharge is to ground-water withdrawals. Development reduces simulated ground-water discharge to streams in the Upper Aquifer from 61.4 to 10% of the Upper Aquifer hydrologic budget (28.9%, if impounded stream flow is included). Ground-water discharge to streams in the Middle Aquifer decreases from 80.0 to 22% of the Middle Aquifer hydrologic budget. The utility of assessing ground-water/surface-water interaction in a regional hydrogeologic system by simulation responses to development is demonstrated and which can compensate for lack of long-term stream-gaging data in determining management decisions.

Trends of improved water and sanitation coverage around the globe between 1990 and 2010: inequality among countries and performance of official development assistance

PubMed Central

Cha, Seungman; Mankadi, Paul Mansiangi; Elhag, Mousab Siddig; Lee, Yongjoo; Jin, Yan

2017-01-01

ABSTRACT Background: As the Millennium Development Goals ended, and were replaced by the Sustainable Development Goals, efforts have been made to evaluate the achievements and performance of official development assistance (ODA) in the health sector. In this study, we explore trends in the expansion of water and sanitation coverage in developing countries and the performance of ODA. Design: We explored inequality across developing countries by income level, and investigated how ODA for water and sanitation was committed by country, region, and income level. Changes in inequality were tested via slope changes by investigating the interaction of year and income level with a likelihood ratio test. A random effects model was applied according to the results of the Hausman test. Results: The slope of the linear trend between economic level and sanitation coverage has declined over time. However, a random effects model suggested that the change in slope across years was not significant (e.g. for the slope change between 2000 and 2010: likelihood ratio χ2 = 2.49, probability > χ2 = 0.1146). A similar pro-rich pattern across developing countries and a non-significant change in the slope associated with different economic levels were demonstrated for water coverage. Our analysis shows that the inequality of water and sanitation coverage among countries across the world has not been addressed effectively during the past decade. Our findings demonstrate that the countries with the least coverage persistently received far less ODA per capita than did countries with much more extensive water and sanitation coverage, suggesting that ODA for water and sanitation is poorly targeted. Conclusion: The most deprived countries should receive more attention for water and sanitation improvements from the world health community. A strong political commitment to ODA targeting the countries with the least coverage is needed at the global level. PMID:28604256

Effects of Spatial Patch Arrangement and Scale of Covarying Resources on Growth and Intraspecific Competition of a Clonal Plant

PubMed Central

Wang, Yong-Jian; Shi, Xue-Ping; Meng, Xue-Feng; Wu, Xiao-Jing; Luo, Fang-Li; Yu, Fei-Hai

2016-01-01

Spatial heterogeneity in two co-variable resources such as light and water availability is common and can affect the growth of clonal plants. Several studies have tested effects of spatial heterogeneity in the supply of a single resource on competitive interactions of plants, but none has examined those of heterogeneous distribution of two co-variable resources. In a greenhouse experiment, we grew one (without intraspecific competition) or nine isolated ramets (with competition) of a rhizomatous herb Iris japonica under a homogeneous environment and four heterogeneous environments differing in patch arrangement (reciprocal and parallel patchiness of light and soil water) and patch scale (large and small patches of light and water). Intraspecific competition significantly decreased the growth of I. japonica, but at the whole container level there were no significant interaction effects of competition by spatial heterogeneity or significant effect of heterogeneity on competitive intensity. Irrespective of competition, the growth of I. japonica in the high and the low water patches did not differ significantly in the homogeneous treatments, but it was significantly larger in the high than in the low water patches in the heterogeneous treatments with large patches. For the heterogeneous treatments with small patches, the growth of I. japonica was significantly larger in the high than in the low water patches in the presence of competition, but such an effect was not significant in the absence of competition. Furthermore, patch arrangement and patch scale significantly affected competitive intensity at the patch level. Therefore, spatial heterogeneity in light and water supply can alter intraspecific competition at the patch level and such effects depend on patch arrangement and patch scale. PMID:27375630

Effects of Spatial Patch Arrangement and Scale of Covarying Resources on Growth and Intraspecific Competition of a Clonal Plant.

PubMed

Wang, Yong-Jian; Shi, Xue-Ping; Meng, Xue-Feng; Wu, Xiao-Jing; Luo, Fang-Li; Yu, Fei-Hai

2016-01-01

Spatial heterogeneity in two co-variable resources such as light and water availability is common and can affect the growth of clonal plants. Several studies have tested effects of spatial heterogeneity in the supply of a single resource on competitive interactions of plants, but none has examined those of heterogeneous distribution of two co-variable resources. In a greenhouse experiment, we grew one (without intraspecific competition) or nine isolated ramets (with competition) of a rhizomatous herb Iris japonica under a homogeneous environment and four heterogeneous environments differing in patch arrangement (reciprocal and parallel patchiness of light and soil water) and patch scale (large and small patches of light and water). Intraspecific competition significantly decreased the growth of I. japonica, but at the whole container level there were no significant interaction effects of competition by spatial heterogeneity or significant effect of heterogeneity on competitive intensity. Irrespective of competition, the growth of I. japonica in the high and the low water patches did not differ significantly in the homogeneous treatments, but it was significantly larger in the high than in the low water patches in the heterogeneous treatments with large patches. For the heterogeneous treatments with small patches, the growth of I. japonica was significantly larger in the high than in the low water patches in the presence of competition, but such an effect was not significant in the absence of competition. Furthermore, patch arrangement and patch scale significantly affected competitive intensity at the patch level. Therefore, spatial heterogeneity in light and water supply can alter intraspecific competition at the patch level and such effects depend on patch arrangement and patch scale.

An efficient and guaranteed stable numerical method for continuous modeling of infiltration and redistribution with a shallow dynamic water table

NASA Astrophysics Data System (ADS)

Lai, Wencong; Ogden, Fred L.; Steinke, Robert C.; Talbot, Cary A.

2015-03-01

We have developed a one-dimensional numerical method to simulate infiltration and redistribution in the presence of a shallow dynamic water table. This method builds upon the Green-Ampt infiltration with Redistribution (GAR) model and incorporates features from the Talbot-Ogden (T-O) infiltration and redistribution method in a discretized moisture content domain. The redistribution scheme is more physically meaningful than the capillary weighted redistribution scheme in the T-O method. Groundwater dynamics are considered in this new method instead of hydrostatic groundwater front. It is also computationally more efficient than the T-O method. Motion of water in the vadose zone due to infiltration, redistribution, and interactions with capillary groundwater are described by ordinary differential equations. Numerical solutions to these equations are computationally less expensive than solutions of the highly nonlinear Richards' (1931) partial differential equation. We present results from numerical tests on 11 soil types using multiple rain pulses with different boundary conditions, with and without a shallow water table and compare against the numerical solution of Richards' equation (RE). Results from the new method are in satisfactory agreement with RE solutions in term of ponding time, deponding time, infiltration rate, and cumulative infiltrated depth. The new method, which we call "GARTO" can be used as an alternative to the RE for 1-D coupled surface and groundwater models in general situations with homogeneous soils with dynamic water table. The GARTO method represents a significant advance in simulating groundwater surface water interactions because it very closely matches the RE solution while being computationally efficient, with guaranteed mass conservation, and no stability limitations that can affect RE solvers in the case of a near-surface water table.

a System Dynamics Approach for Looking at the Human and Environmental Interactions of Community-Based Irrigation Systems in New Mexico

NASA Astrophysics Data System (ADS)

Ochoa, C. G.; Tidwell, V. C.

2012-12-01

In the arid southwestern United States community water management systems have adapted to cope with climate variability and with socio-cultural and economic changes that have occurred since the establishment of these systems more than 300 years ago. In New Mexico, the community-based irrigation systems were established by Spanish settlers and have endured climate variability in the form of low levels of precipitation and have prevailed over important socio-political changes including the transfer of territory between Spain and Mexico, and between Mexico and the United States. Because of their inherent nature of integrating land and water use with society involvement these community-based systems have multiple and complex economic, ecological, and cultural interactions. Current urban population growth and more variable climate conditions are adding pressure to the survival of these systems. We are conducting a multi-disciplinary research project that focuses on characterizing these intrinsically complex human and natural interactions in three community-based irrigation systems in northern New Mexico. We are using a system dynamics approach to integrate different hydrological, ecological, socio-cultural and economic aspects of these three irrigation systems. Coupled with intensive field data collection, we are building a system dynamics model that will enable us to simulate important linkages and interactions between environmental and human elements occurring in each of these water management systems. We will test different climate variability and population growth scenarios and the expectation is that we will be able to identify critical tipping points of these systems. Results from this model can be used to inform policy recommendations relevant to the environment and to urban and agricultural land use planning in the arid southwestern United States.

A field comparison of multiple techniques to quantify groundwater - surface-water interactions

USGS Publications Warehouse

González-Pinzón, Ricardo; Ward, Adam S; Hatch, Christine E; Wlostowski, Adam N; Singha, Kamini; Gooseff, Michael N.; Haggerty, Roy; Harvey, Judson; Cirpka, Olaf A; Brock, James T

2015-01-01

Groundwater–surface-water (GW-SW) interactions in streams are difficult to quantify because of heterogeneity in hydraulic and reactive processes across a range of spatial and temporal scales. The challenge of quantifying these interactions has led to the development of several techniques, from centimeter-scale probes to whole-system tracers, including chemical, thermal, and electrical methods. We co-applied conservative and smart reactive solute-tracer tests, measurement of hydraulic heads, distributed temperature sensing, vertical profiles of solute tracer and temperature in the stream bed, and electrical resistivity imaging in a 450-m reach of a 3rd-order stream. GW-SW interactions were not spatially expansive, but were high in flux through a shallow hyporheic zone surrounding the reach. NaCl and resazurin tracers suggested different surface–subsurface exchange patterns in the upper ⅔ and lower ⅓ of the reach. Subsurface sampling of tracers and vertical thermal profiles quantified relatively high fluxes through a 10- to 20-cm deep hyporheic zone with chemical reactivity of the resazurin tracer indicated at 3-, 6-, and 9-cm sampling depths. Monitoring of hydraulic gradients along transects with MINIPOINT streambed samplers starting ∼40 m from the stream indicated that groundwater discharge prevented development of a larger hyporheic zone, which progressively decreased from the stream thalweg toward the banks. Distributed temperature sensing did not detect extensive inflow of ground water to the stream, and electrical resistivity imaging showed limited large-scale hyporheic exchange. We recommend choosing technique(s) based on: 1) clear definition of the questions to be addressed (physical, biological, or chemical processes), 2) explicit identification of the spatial and temporal scales to be covered and those required to provide an appropriate context for interpretation, and 3) maximizing generation of mechanistic understanding and reducing costs of implementing multiple techniques through collaborative research.

Chronic metals ingestion by prairie voles produces sex-specific deficits in social behavior: an animal model of autism.

PubMed

Curtis, J Thomas; Hood, Amber N; Chen, Yue; Cobb, George P; Wallace, David R

2010-11-12

We examined the effects of chronic metals ingestion on social behavior in the normally highly social prairie vole to test the hypothesis that metals may interact with central dopamine systems to produce the social withdrawal characteristic of autism. Relative to water-treated controls, 10 weeks of chronic ingestion of either Hg(++) or Cd(++) via drinking water significantly reduced social contact by male voles when they were given a choice between isolation or contact with an unfamiliar same-sex conspecific. The effects of metals ingestion were specific to males: no effects of metals exposure were seen in females. Metals ingestion did not alter behavior of males allowed to choose between isolation or their familiar cage-mates, rather than strangers. We also examined the possibility that metals ingestion affects central dopamine functioning by testing the voles' locomotor responses to peripheral administration of amphetamine. As with the social behavior, we found a sex-specific effect of metals on amphetamine responses. Males that consumed Hg(++) did not increase their locomotor activity in response to amphetamine, whereas similarly treated females and males that ingested only water significantly increased their locomotor activities. Thus, an ecologically relevant stimulus, metals ingestion, produced two of the hallmark characteristics of autism - social avoidance and a male-oriented bias. These results suggest that metals exposure may contribute to the development of autism, possibly by interacting with central dopamine function, and support the use of prairie voles as a model organism in which to study autism. (c) 2010 Elsevier B.V. All rights reserved.

Evaluation and prevention of the precipitate formed on interaction between sodium hypochlorite and chlorhexidine.

PubMed

Krishnamurthy, Shashikala; Sudhakaran, Sunu

2010-07-01

The purpose of this study was (1) to evaluate maximum thickness the and chemical composition of the precipitate formed between sodium hypochlorite (NaOCl) and chlorhexidine (CHX) and (2) to evaluate effectiveness of absolute alcohol to remove residual NaOCl and thereby prevent the formation of the precipitate. Forty extracted single-rooted human teeth were decoronated, and the canals were instrumented. In the test group (Ts group), canals were irrigated with 17% EDTA and 2.5% NaOCl followed by 2% CHX. In the absolute alcohol (Aba), saline (Sa), and distilled water (Dw) groups, intermediate flushes of absolute alcohol, saline, and distilled water were used between the last two irrigants. Teeth were sectioned longitudinally and subjected to stereomicroscopic examination. The Ts group samples showed orange-brown precipitate, concentrated more in the coronal and middle thirds, whereas the Aba group showed no evidence of precipitate. The Sal and Dw groups showed minimal precipitate in the coronal and middle thirds. The thickness of the precipitate was measured using the ProgRes computer software (Olympus, Hamburg, Germany). The chemical composition of the precipitate was confirmed by Beilstein and HCl tests, and the nuclear magnetic resonance imaging technique confirmed chlorine in the para position of the benzene ring. The interaction between NaOCl and CHX resulted in an insoluble neutral salt as a precipitate that can be prevented using absolute alcohol and minimized using saline and distilled water as intermediate flushes. Copyright 2010 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Anthropogenic shift of planktonic food web structure in a coastal lagoon by freshwater flow regulation

NASA Astrophysics Data System (ADS)

Hemraj, Deevesh A.; Hossain, A.; Ye, Qifeng; Qin, Jian G.; Leterme, Sophie C.

2017-03-01

Anthropogenic modification of aquatic systems has diverse impacts on food web interactions and ecosystem states. To reverse the adverse effects of modified freshwater flow, adequate management of discharge is required, especially due to higher water requirements and abstractions for human use. Here, we look at the effects of anthropogenically controlled freshwater flow regimes on the planktonic food web of a Ramsar listed coastal lagoon that is under recovery from degradation. Our results show shifts in water quality and plankton community interactions associated to changes in water flow. These shifts in food web interactions represent modifications in habitat complexity and water quality. At high flow, phytoplankton-zooplankton interactions dominate the food web. Conversely, at low flow, bacteria, viruses and nano/picoplankton interactions are more dominant, with a substantial switch of the food web towards heterotrophy. This switch can be associated with excess organic matter loading, decomposition of dead organisms, and synergistic and antagonistic interactions. We suggest that a lower variability in flow amplitude could be beneficial for the long-term sustaining of water quality and food web interactions, while improving the ecosystem health of systems facing similar stresses as the Coorong.

Anthropogenic shift of planktonic food web structure in a coastal lagoon by freshwater flow regulation

PubMed Central

Hemraj, Deevesh A.; Hossain, A.; Ye, Qifeng; Qin, Jian G.; Leterme, Sophie C.

2017-01-01

Anthropogenic modification of aquatic systems has diverse impacts on food web interactions and ecosystem states. To reverse the adverse effects of modified freshwater flow, adequate management of discharge is required, especially due to higher water requirements and abstractions for human use. Here, we look at the effects of anthropogenically controlled freshwater flow regimes on the planktonic food web of a Ramsar listed coastal lagoon that is under recovery from degradation. Our results show shifts in water quality and plankton community interactions associated to changes in water flow. These shifts in food web interactions represent modifications in habitat complexity and water quality. At high flow, phytoplankton-zooplankton interactions dominate the food web. Conversely, at low flow, bacteria, viruses and nano/picoplankton interactions are more dominant, with a substantial switch of the food web towards heterotrophy. This switch can be associated with excess organic matter loading, decomposition of dead organisms, and synergistic and antagonistic interactions. We suggest that a lower variability in flow amplitude could be beneficial for the long-term sustaining of water quality and food web interactions, while improving the ecosystem health of systems facing similar stresses as the Coorong. PMID:28327643

Farm water budgets for semiarid irrigated floodplains of northern New Mexico: characterizing the surface water-groundwater interactions

NASA Astrophysics Data System (ADS)

Gutierrez, K. Y.; Fernald, A.; Ochoa, C. G.; Guldan, S. J.

2013-12-01

KEY WORDS - Hydrology, Water budget, Deep percolation, Surface water-Groundwater interactions. With the recent projections for water scarcity, water balances have become an indispensable water management tool. In irrigated floodplains, deep percolation from irrigation can represent one of the main aquifer recharge sources. A better understanding of surface water and groundwater interactions in irrigated valleys is needed for properly assessing the water balances in these systems and estimating potential aquifer recharge. We conducted a study to quantify the parameters and calculate the water budgets in three flood irrigated hay fields with relatively low, intermediate and, high water availability in northern New Mexico. We monitored different hydrologic parameters including total amount of water applied, change in soil moisture, drainage below the effective root zone, and shallow water level fluctuations in response to irrigation. Evapotranspiration was calculated from weather station data collected in-situ using the Samani-Hargreaves. Previous studies in the region have estimated deep percolation as a residual parameter of the water balance equation. In this study, we used both, the water balance method and actual measurements of deep percolation using passive lysimeters. Preliminary analyses for the three fields show a relatively rapid movement of water through the upper 50 cm of the vadose zone and a quick response of the shallow aquifer under flood irrigation. Further results from this study will provide a better understanding of surface water-groundwater interactions in flood irrigated valleys in northern New Mexico.

Interaction between arsenic exposure from drinking water and genetic susceptibility in carotid intima-media thickness in Bangladesh

PubMed Central

Wu, Fen; Jasmine, Farzana; Kibriya, Muhammad G.; Liu, Mengling; Cheng, Xin; Parvez, Faruque; Paul-Brutus, Rachelle; Islam, Tariqul; Paul, Rina Rani; Sarwar, Golam; Ahmed, Alauddin; Jiang, Jieying; Islam, Tariqul; Slavkovich, Vesna; Rundek, Tatjana; Demmer, Ryan T.; Desvarieux, Moise; Ahsan, Habibul; Chen, Yu

2014-01-01

Epidemiologic studies that evaluated genetic susceptibility to the effects of arsenic exposure from drinking water on subclinical atherosclerosis are limited. We conducted a cross-sectional study of 1,078 participants randomly selected from the Health Effects of Arsenic Longitudinal Study in Bangladesh to evaluate whether the association between arsenic exposure and carotid artery intima-medial thickness (cIMT) differs by 207 single-nucleotide polymorphisms (SNPs) in 18 genes related to arsenic metabolism, oxidative stress, inflammation, and endothelial dysfunction. Although not statistically significant after correcting for multiple testing, nine SNPs in APOE, AS3MT, PNP, and TNF genes had a nominally statistically significant interaction with well-water arsenic in cIMT. For instance, the joint presence of a higher level of well-water arsenic (≥ 40.4 μg/L) and the GG genotype of AS3MT rs3740392 was associated with a difference of 40.9 μm (95% CI = 14.4, 67.5) in cIMT, much greater than the difference of cIMT associated with the genotype alone (β = -5.1 μm, 95% CI = -31.6, 21.3) or arsenic exposure alone (β = 7.2 μm, 95% CI = -3.1, 17.5). The pattern and magnitude of the interactions were similar when urinary arsenic was used as the exposure variable. Additionally, the at-risk genotypes of the AS3MT SNPs were positively related to proportion of monomethylarsonic acid (MMA) in urine, which is indicative of arsenic methylation capacity. The findings provide novel evidence that genetic variants related to arsenic metabolism may play an important role in arsenic-induced subclinical atherosclerosis. Future replication studies in diverse populations are needed to confirm the findings. PMID:24593923

Interaction between arsenic exposure from drinking water and genetic susceptibility in carotid intima-media thickness in Bangladesh.

PubMed

Wu, Fen; Jasmine, Farzana; Kibriya, Muhammad G; Liu, Mengling; Cheng, Xin; Parvez, Faruque; Paul-Brutus, Rachelle; Paul, Rina Rani; Sarwar, Golam; Ahmed, Alauddin; Jiang, Jieying; Islam, Tariqul; Slavkovich, Vesna; Rundek, Tatjana; Demmer, Ryan T; Desvarieux, Moise; Ahsan, Habibul; Chen, Yu

2014-05-01

Epidemiologic studies that evaluated genetic susceptibility for the effects of arsenic exposure from drinking water on subclinical atherosclerosis are limited. We conducted a cross-sectional study of 1078 participants randomly selected from the Health Effects of Arsenic Longitudinal Study in Bangladesh to evaluate whether the association between arsenic exposure and carotid artery intima-media thickness (cIMT) differs by 207 single-nucleotide polymorphisms (SNPs) in 18 genes related to arsenic metabolism, oxidative stress, inflammation, and endothelial dysfunction. Although not statistically significant after correcting for multiple testing, nine SNPs in APOE, AS3MT, PNP, and TNF genes had a nominally statistically significant interaction with well-water arsenic in cIMT. For instance, the joint presence of a higher level of well-water arsenic (≥ 40.4 μg/L) and the GG genotype of AS3MT rs3740392 was associated with a difference of 40.9 μm (95% CI = 14.4, 67.5) in cIMT, much greater than the difference of cIMT associated with the genotype alone (β = -5.1 μm, 95% CI = -31.6, 21.3) or arsenic exposure alone (β = 7.2 μm, 95% CI = -3.1, 17.5). The pattern and magnitude of the interactions were similar when urinary arsenic was used as the exposure variable. Additionally, the at-risk genotypes of the AS3MT SNPs were positively related to the proportion of monomethylarsonic acid (MMA) in urine, which is indicative of arsenic methylation capacity. The findings provide novel evidence that genetic variants related to arsenic metabolism may play an important role in arsenic-induced subclinical atherosclerosis. Future replication studies in diverse populations are needed to confirm the findings. Copyright © 2014 Elsevier Inc. All rights reserved.

Signatures of Air-Wave Interactions Over a Large Lake

NASA Astrophysics Data System (ADS)

Li, Qi; Bou-Zeid, Elie; Vercauteren, Nikki; Parlange, Marc

2018-06-01

The air-water exchange of momentum and scalars (temperature and water vapour) is investigated using the Lake-Atmosphere Turbulent EXchange (LATEX) dataset. The wind waves and swell are found to affect the coupling between the water surface and the air differently. The surface-stress vector aligns with the wind velocity in the presence of wind waves, but a wide range of stress-wind misalignment angles is observed during swell. The momentum transport efficiency decreases when significant stress-wind misalignment is present, suggesting a strong influence of surface wave properties on surface drag. Based on this improved understanding of the role of wave-wind misalignment, a new relative wind speed for surface-layer similarity formulations is proposed and tested using the data. The new expression yields a value of the von Kármán constant (κ ) of 0.38, compared to 0.36 when using the absolute wind speed, as well as reduced data fitting errors. Finally, the ratios of aerodynamic to scalar roughness lengths are computed and various existing models in the literature are tested using least-square fitting to the observed ratios. The tests are able to discriminate between the performance of various models; however, they also indicate that more investigations are required to understand the physics of scalar exchanges over waves.

Sucrose acceptance, discrimination and proboscis responses of honey bees (Apis mellifera L.) in the field and the laboratory.

PubMed

Mujagic, Samir; Erber, Joachim

2009-04-01

Laboratory studies in honey bees have shown positive correlations between sucrose responsiveness, division of labour and learning. We tested the relationships between sucrose acceptance and discrimination in the field and responsiveness in the laboratory. Based on acceptance in the field three groups of bees were differentiated: (1) bees that accept sucrose concentrations >10%, (2) bees that accept some but not all of the sucrose concentrations <10% and water, and (3) bees that accept water and all offered sucrose concentrations. Sucrose acceptance can be described in a model in which sucrose- and water-dependent responses interact additively. Responsiveness to sucrose was tested in the same bees in the laboratory by measuring the proboscis extension response (PER). The experiments demonstrated that PER responsiveness is lower than acceptance in the field and that it is not possible to infer from the PER measurements in the laboratory those concentrations the respective bees accepted in the field. Discrimination between sucrose concentrations was tested in three groups of free-flying bees collecting low, intermediate or high concentrations of sucrose. The experiments demonstrated that bees can discriminate between concentrations differences down to 0.2 relative log units. There exist only partial correlations between discrimination, acceptance and PER responsiveness.

Zinc oxide as a new antimicrobial preservative of topical products: interactions with common formulation ingredients.

PubMed

Pasquet, Julia; Chevalier, Yves; Couval, Emmanuelle; Bouvier, Dominique; Bolzinger, Marie-Alexandrine

2015-02-01

Zinc oxide (ZnO) appears as a promising preservative for pharmaceutical or cosmetic formulations. The other ingredients of the formulations may have specific interactions with ZnO that alter its antimicrobial properties. The influence of common formulation excipients on the antimicrobial efficacy of ZnO has been investigated in simple model systems and in typical topical products containing a complex formulation. A wide variety of formulation excipients have been investigated for their interactions with ZnO: antioxidants, chelating agents, electrolytes, titanium dioxide pigment. The antimicrobial activity of ZnO against Escherichia coli was partially inhibited by NaCl and MgSO4 salts. A synergistic influence of uncoated titanium dioxide has been observed. The interference effects of antioxidants and chelating agents were quite specific. The interactions of these substances with ZnO particles and with the soluble species released by ZnO were discussed so as to reach scientific guidelines for the choice of the ingredients. The preservative efficacy of ZnO was assessed by challenge testing in three different formulations: an oil-in-water emulsion; a water-in-oil emulsion and a dry powder. The addition of ZnO in complex formulations significantly improved the microbiological quality of the products, in spite of the presence of other ingredients that modulate the antimicrobial activity. Copyright © 2014 Elsevier B.V. All rights reserved.

Shifting species interactions in terrestrial dryland ecosystems under altered water availability and climate change.

PubMed

McCluney, Kevin E; Belnap, Jayne; Collins, Scott L; González, Angélica L; Hagen, Elizabeth M; Nathaniel Holland, J; Kotler, Burt P; Maestre, Fernando T; Smith, Stanley D; Wolf, Blair O

2012-08-01

Species interactions play key roles in linking the responses of populations, communities, and ecosystems to environmental change. For instance, species interactions are an important determinant of the complexity of changes in trophic biomass with variation in resources. Water resources are a major driver of terrestrial ecology and climate change is expected to greatly alter the distribution of this critical resource. While previous studies have documented strong effects of global environmental change on species interactions in general, responses can vary from region to region. Dryland ecosystems occupy more than one-third of the Earth's land mass, are greatly affected by changes in water availability, and are predicted to be hotspots of climate change. Thus, it is imperative to understand the effects of environmental change on these globally significant ecosystems. Here, we review studies of the responses of population-level plant-plant, plant-herbivore, and predator-prey interactions to changes in water availability in dryland environments in order to develop new hypotheses and predictions to guide future research. To help explain patterns of interaction outcomes, we developed a conceptual model that views interaction outcomes as shifting between (1) competition and facilitation (plant-plant), (2) herbivory, neutralism, or mutualism (plant-herbivore), or (3) neutralism and predation (predator-prey), as water availability crosses physiological, behavioural, or population-density thresholds. We link our conceptual model to hypothetical scenarios of current and future water availability to make testable predictions about the influence of changes in water availability on species interactions. We also examine potential implications of our conceptual model for the relative importance of top-down effects and the linearity of patterns of change in trophic biomass with changes in water availability. Finally, we highlight key research needs and some possible broader impacts of our findings. Overall, we hope to stimulate and guide future research that links changes in water availability to patterns of species interactions and the dynamics of populations and communities in dryland ecosystems. © 2011 The Authors. Biological Reviews © 2011 Cambridge Philosophical Society.

Recent experimental advances on hydrophobic interactions at solid/water and fluid/water interfaces.

PubMed

Zeng, Hongbo; Shi, Chen; Huang, Jun; Li, Lin; Liu, Guangyi; Zhong, Hong

2015-03-15

Hydrophobic effects play important roles in a wide range of natural phenomena and engineering processes such as coalescence of oil droplets in water, air flotation of mineral particles, and folding and assembly of proteins and biomembranes. In this work, the authors highlight recent experimental attempts to reveal the physical origin of hydrophobic effects by directly quantifying the hydrophobic interaction on both solid/water and fluid/water interfaces using state-of-art nanomechanical techniques such as surface forces apparatus and atomic force microscopy (AFM). For solid hydrophobic surfaces of different hydrophobicity, the range of hydrophobic interaction was reported to vary from ∼10 to >100 nm. With various characterization techniques, the very long-ranged attraction (>100 nm) has been demonstrated to be mainly attributed to nonhydrophobic interaction mechanisms such as pre-existing nanobubbles and molecular rearrangement. By ruling out these factors, intrinsic hydrophobic interaction was measured to follow an exponential law with decay length of 1-2 nm with effective range less than 20 nm. On the other hand, hydrophobic interaction measured at fluid interfaces using AFM droplet/bubble probe technique was found to decay with a much shorter length of ∼0.3 nm. This discrepancy of measured decay lengths is proposed to be attributed to inherent physical distinction between solid and fluid interfaces, which impacts the structure of interface-adjacent water molecules. Direct measurement of hydrophobic interaction on a broader range of interfaces and characterization of interfacial water molecular structure using spectroscopic techniques are anticipated to help unravel the origin of this rigidity-related mismatch of hydrophobic interaction and hold promise to uncover the physical nature of hydrophobic effects. With improved understanding of hydrophobic interaction, intrinsic interaction mechanisms of many biological and chemical pathways can be better elucidated, and novel devices/processes can be developed with capacity to modulate and control the hydrophobic effects from the molecular to the macroscopic scale.

The dynamic behavior of a liquid ethanol-water mixture: a perspective from quantum chemical topology.

PubMed

Mejía, Sol M; Mills, Matthew J L; Shaik, Majeed S; Mondragon, Fanor; Popelier, Paul L A

2011-05-07

Quantum Chemical Topology (QCT) is used to reveal the dynamics of atom-atom interactions in a liquid. A molecular dynamics simulation was carried out on an ethanol-water liquid mixture at its azeotropic concentration (X(ethanol)=0.899), using high-rank multipolar electrostatics. A thousand (ethanol)(9)-water heterodecamers, respecting the water-ethanol ratio of the azeotropic mixture, were extracted from the simulation. Ab initio electron densities were computed at the B3LYP/6-31+G(d) level for these molecular clusters. A video shows the dynamical behavior of a pattern of bond critical points and atomic interaction lines, fluctuating over 1 ns. A bond critical point distribution revealed the fluctuating behavior of water and ethanol molecules in terms of O-H···O, C-H···O and H···H interactions. Interestingly, the water molecule formed one to six C-H···O and one to four O-H···O interactions as a proton acceptor. We found that the more localized a dynamical bond critical point distribution, the higher the average electron density at its bond critical points. The formation of multiple C-H···O interactions affected the shape of the oxygen basin of the water molecule, which is shown in three dimensions. The hydrogen atoms of water strongly preferred to form H···H interactions with ethanol's alkyl hydrogen atoms over its hydroxyl hydrogen. This journal is © the Owner Societies 2011

Broadband Microwave Spectroscopy as a Tool to Study Intermolecular Interactions in the Diphenyl Ether - Water System

NASA Astrophysics Data System (ADS)

Fatima, Mariyam; Perez, Cristobal; Schnell, Melanie

2017-06-01

Many biological processes, such as chemical recognition and protein folding, are mainly controlled by the interplay of hydrogen bonds and dispersive forces. This interplay also occurs between organic molecules and solvent water molecules. Broadband rotational spectroscopy studies of weakly bound complexes are able to accurately reveal the structures and internal dynamics of molecular clusters isolated in the gas phase. Amongst them, water clusters with organic molecules are of particular interest. In this work, we investigate the interplay between different types of weak intermolecular interactions and how it controls the preferred interaction sites of aromatic ethers, where dispersive interactions may play a significant role. We present our results on diphenyl ether (C_{12}H_{10}O, 1,1'-Oxydibenzene) complexed with up to three molecules of water. Diphenyl ether is a flexible molecule, and it offers two competing binding sites for water: the ether oxygen and the aromatic π system. In order to determine the structure of the diphenyl ether-water complexes, we targeted transitions in the 2-8 GHz range using broadband rotational spectroscopy. We identify two isomers with one water, one with two water, and one with three water molecules. Further analysis from isotopic substitution measurements provided accurate structural information. The preferred interactions, as well as the observed structural changes induced upon complexation, will be presented and discussed.

Chronic fluoxetine treatment partly attenuates the long-term anxiety and depressive symptoms induced by MDMA ('Ecstasy') in rats.

PubMed

Thompson, Murray R; Li, Kong M; Clemens, Kelly J; Gurtman, Clint G; Hunt, Glenn E; Cornish, Jennifer L; McGregor, Iain S

2004-04-01

Use of the drug 3,4-methylenedioxymethamphetamine (MDMA, 'Ecstasy') can have long-term adverse effects on emotion in both humans and laboratory animals. The present study examined whether chronic treatment with the antidepressant drug fluoxetine could reverse such effects. Male Wistar rats were briefly exposed to MDMA (4 x 5 mg/kg over 4 h) or vehicle on 2 consecutive days. Approximately 9-12 weeks later, half of the rats received a dose of approximately 6 mg/kg/day fluoxetine in their drinking water for a 5-week period. Fluoxetine administration reduced fluid intake and body weight in MDMA and vehicle pretreated rats. After several weeks of fluoxetine treatment, rats were assessed on the social interaction test, the emergence test of anxiety and the forced swim model of depression. MDMA pretreated rats showed reduced social interaction, increased anxiety on the emergence test, and increased immobility and decreased active responses in the forced swim test. Fluoxetine treatment reversed MDMA-induced anxiety in the emergence test and depressive-like effects in the forced swim test, yet exhibited no effects on the social interaction test. MDMA pretreated rats had decreased 5-HT and 5-HIAA levels in limbic and cortical regions, and decreased density of serotonin transporter sites in the cortex. Fluoxetine treatment did not greatly affect 5-HT levels in MDMA pretreated rats, but significantly decreased 5-HIAA levels in all brain sites examined. Postmortem blood serum levels of fluoxetine and norfluoxetine did not differ in MDMA and vehicle pretreated rats. These results indicate that fluoxetine may provide a treatment option for some of the deleterious long-term effects resulting from MDMA exposure.

Cost estimate for a proposed GDF Suez LNG testing program

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

Blanchat, Thomas K.; Brady, Patrick Dennis; Jernigan, Dann A.

2014-02-01

At the request of GDF Suez, a Rough Order of Magnitude (ROM) cost estimate was prepared for the design, construction, testing, and data analysis for an experimental series of large-scale (Liquefied Natural Gas) LNG spills on land and water that would result in the largest pool fires and vapor dispersion events ever conducted. Due to the expected cost of this large, multi-year program, the authors utilized Sandia's structured cost estimating methodology. This methodology insures that the efforts identified can be performed for the cost proposed at a plus or minus 30 percent confidence. The scale of the LNG spill, fire,more » and vapor dispersion tests proposed by GDF could produce hazard distances and testing safety issues that need to be fully explored. Based on our evaluations, Sandia can utilize much of our existing fire testing infrastructure for the large fire tests and some small dispersion tests (with some modifications) in Albuquerque, but we propose to develop a new dispersion testing site at our remote test area in Nevada because of the large hazard distances. While this might impact some testing logistics, the safety aspects warrant this approach. In addition, we have included a proposal to study cryogenic liquid spills on water and subsequent vaporization in the presence of waves. Sandia is working with DOE on applications that provide infrastructure pertinent to wave production. We present an approach to conduct repeatable wave/spill interaction testing that could utilize such infrastructure.« less

Identification of a residue in helix 2 of rice plasma membrane intrinsic proteins that influences water permeability.

PubMed

Zhang, Minhua; Lü, Shouqin; Li, Guowei; Mao, Zhilei; Yu, Xin; Sun, Weining; Tang, Zhangcheng; Long, Mian; Su, Weiai

2010-12-31

Molecular selection, ion exclusion, and water permeation are well known regulatory mechanisms in aquaporin. Water permeability was found to be diverse in different subgroups of plasma membrane intrinsic proteins (PIPs), even though the residues surrounding the water holes remained the same across the subgroups. Upon homology modeling and structural comparison, a conserved Ala/Ile(Val) residue difference was identified in helix 2 that affected the conformation of the NPA region and consequently influenced the water permeability. The residue difference was found to be conservative within the two subgroups of PIPs in rice as well as in other plants. Functional tests further confirmed the prediction via site-directed mutagenesis where replacement of Ala(103) or Ala(102) in respective OsPIP1;1 or OsPIP1;3 with Val yielded 7.0- and 2.2-fold increases in water transportation, and substitution of Ile(98) or Val(95) in respective OsPIP2;3 or OsPIP2;7 with Ala resulted in 73 or 52% reduction of water transportation. Based on structural analyses and molecular dynamics simulations, we proposed that the difference in water permeability was attributed to the orientation variations of helix 2 that modified water-water and water-protein interactions.

Modeling and simulations of carbon nanotube (CNT) dispersion in water/surfactant/polymer systems

NASA Astrophysics Data System (ADS)

Uddin, Nasir Mohammad

An innovative multiscale (atomistic to mesoscale) model capable of predicting carbon nanotube (CNT) interactions and dispersion in water/surfactant/polymer systems was developed. The model was verified qualitatively with available experimental data in the literature. It can be used to computationally screen potential surfactants, solvents, polymers, and CNT with appropriate diameter and length to obtain improved CNT dispersion in aqueous medium. Thus the model would facilitate the reduction of time and cost required to produce CNT dispersed homogeneous solutions and CNT reinforced materials. CNT dispersion in any water/surfactant/polymer system depends on interactions between CNTs and surrounding molecules. Central to the study was the atomistic scale model which used the atomic structure of the surfactant, solvent, polymer, and CNT. The model was capable of predicting the CNT interactions in terms of potential of mean force (PMF) between CNTs under the influence of surrounding molecules in an aqueous solution. On the atomistic scale, molecular dynamics method was used to compute the PMF as a function of CNT separation and CNT alignment. An adaptive biasing force (ABF) method was used to speed up the calculations. Correlations were developed to determine the effective interactions between CNTs as a function of their any inter-atomic distance and orientation angle in water as well as in water/surfactant by fitting the calculated PMF data. On the mesoscale, the fitted PMF correlations were used as input in the Monte Carlo simulations to determine the degree of dispersion of CNTs in water and water/surfactant system. The distribution of CNT cluster size was determined for the CNTs dispersed in water with and without surfactant addition. The entropie and enthalpie contributions to the CNT interactions in water were determined to understand the dispersion mechanism of CNTs in water. The effects of CNT orientation, length, diameter, chirality and surfactant concentrations and structures on CNT interactions in water were investigated at room conditions. CNT interactions in polymer solution were also investigated with polyethylene oxide (PEO) polymer and water as a solvent. In all cases, the atomic arrangement of molecules was discussed in detailed. Simulations revealed that CNT orientation, length, diameter, and addition of surfactant and its structures can significantly affect CNT interactions (i.e., PMFs varied significantly) and in-turn the degree of CNT dispersion in aqueous solution. For all simulation cases, a uniform sampling was achieved by using the ABF method to calculate the governing PMF between CNTs indicating the effectiveness and convergence of the adaptive sampling scheme. The surfactant molecules were shown to adsorb at the CNT surface and contribute to weaker interactions between CNTs which resulted less CNT aggregate size at the mesoscale. Surfactant consisting with a benzene ring contributed much weaker interactions between CNTs as compared with that of without benzene ring. The increase in CNT length contributed the stronger CNT interactions where the increase in CNT diameter caused weaker CNT interactions in water. The interfacial characteristics between the CNT, surfactant and the polymer were also predicted and discussed. The model can be expanded for more solvents, surfactants, and polymers.

Air demand estimation in bottom outlets with the particle finite element method. Susqueda Dam case study

NASA Astrophysics Data System (ADS)

Salazar, Fernando; San-Mauro, Javier; Celigueta, Miguel Ángel; Oñate, Eugenio

2017-07-01

Dam bottom outlets play a vital role in dam operation and safety, as they allow controlling the water surface elevation below the spillway level. For partial openings, water flows under the gate lip at high velocity and drags the air downstream of the gate, which may cause damages due to cavitation and vibration. The convenience of installing air vents in dam bottom outlets is well known by practitioners. The design of this element depends basically on the maximum air flow through the air vent, which in turn is a function of the specific geometry and the boundary conditions. The intrinsic features of this phenomenon makes it hard to analyse either on site or in full scaled experimental facilities. As a consequence, empirical formulas are frequently employed, which offer a conservative estimate of the maximum air flow. In this work, the particle finite element method was used to model the air-water interaction in Susqueda Dam bottom outlet, with different gate openings. Specific enhancements of the formulation were developed to consider air-water interaction. The results were analysed as compared to the conventional design criteria and to information gathered on site during the gate operation tests. This analysis suggests that numerical modelling with the PFEM can be helpful for the design of this kind of hydraulic works.

Climate change and cutaneous water loss of birds.

PubMed

Williams, Joseph B; Muñoz-Garcia, Agustí; Champagne, Alex

2012-04-01

There is a crucial need to understand how physiological systems of animals will respond to increases in global air temperature. Water conservation may become more important for some species of birds, especially those living in deserts. Lipids of the stratum corneum (SC), the outer layer of the epidermis, create the barrier to water vapor diffusion, and thus control cutaneous water loss (CWL). An appreciation of the ability of birds to change CWL by altering lipids of the skin will be important to predict responses of birds to global warming. The interactions of these lipids are fundamental to the modulation of water loss through skin. Cerebrosides, with their hexose sugar moiety, are a key component of the SC in birds, but how these lipids interact with other lipids of the SC, or how they form hydrogen bonds with water molecules, to form a barrier to water vapor diffusion remains unknown. An understanding of how cerebrosides interact with other lipids of the SC, and of how the hydroxyl groups of cerebrosides interact with water molecules, may be a key to elucidating the control of CWL by the SC.

Modulators of heterogeneous protein surface water dynamics

NASA Astrophysics Data System (ADS)

Han, Songi

The hydration water that solvates proteins is a major factor in driving or enabling biological events, including protein-protein and protein-ligand interactions. We investigate the role of the protein surface in modulating the hydration water fluctuations on both the picosecond and nanosecond timescale with an emerging experimental NMR technique known as Overhauser Dynamic Nuclear Polarization (ODNP). We carry out site-specific ODNP measurements of the hydration water fluctuations along the surface of Chemotaxis Y (CheY), and correlate the measured fluctuations to hydropathic and topological properties of the CheY surface as derived from molecular dynamics (MD) simulation. Furthermore, we compare hydration water fluctuations measured on the CheY surface to that of other globular proteins, as well as intrinsically disordered proteins, peptides, and liposome surfaces to systematically test characteristic effects of the biomolecular surface on the hydration water dynamics. Our results suggest that the labile (ps) hydration water fluctuations are modulated by the chemical nature of the surface, while the bound (ns) water fluctuations are present on surfaces that feature a rough topology and chemical heterogeneity such as the surface of a folded and structured protein. In collaboration with: Ryan Barnes, Dept of Chemistry and Biochemistry, University of California Santa Barbara

Interactions of diffuse and focused allogenic recharge in an eogenetic karst aquifer (Florida, USA)

NASA Astrophysics Data System (ADS)

Langston, Abigail L.; Screaton, Elizabeth J.; Martin, Jonathan B.; Bailly-Comte, Vincent

2012-06-01

The karstic upper Floridan aquifer in north-central Florida (USA) is recharged by both diffuse and allogenic recharge. To understand how recharged water moves within the aquifer, water levels and specific conductivities were monitored and slug tests were conducted in wells installed in the aquifer surrounding the Santa Fe River Sink and Rise. Results indicate that diffuse recharge does not mix rapidly within the aquifer but instead flows horizontally. Stratification may be aided by the high matrix porosity of the eogenetic karst aquifer. Purging wells for sample collection perturbed conductivity for several days, reflecting mixing of the stratified water and rendering collection of representative samples difficult. Interpretive numerical simulations suggest that diffuse recharge impacts the intrusion of allogenic water from the conduit by increasing hydraulic head in the surrounding aquifer and thereby reducing influx to the aquifer from the conduit. In turn, the increase of head within the conduits affects flow paths of diffuse recharge by moving newly recharged water vertically as the water table rises and falls. This movement may result in a broad vertical zone of dissolution at the water table above the conduit system, with thinner and more focused water-table dissolution at greater distance from the conduit.

Hypothetical Modeling of Redox Conditions Within a Complex Ground-Water Flow Field in a Glacial Setting

USGS Publications Warehouse

Feinstein, Daniel T.; Thomas, Mary Ann

2009-01-01

This report describes a modeling approach for studying how redox conditions evolve under the influence of a complex ground-water flow field. The distribution of redox conditions within a flow system is of interest because of the intrinsic susceptibility of an aquifer to redox-sensitive, naturally occurring contaminants - such as arsenic - as well as anthropogenic contaminants - such as chlorinated solvents. The MODFLOW-MT3D-RT3D suite of code was applied to a glacial valley-fill aquifer to demonstrate a method for testing the interaction of flow patterns, sources of reactive organic carbon, and availability of electron acceptors in controlling redox conditions. Modeling results show how three hypothetical distributions of organic carbon influence the development of redox conditions in a water-supply aquifer. The distribution of strongly reduced water depends on the balance between the rate of redox reactions and the capability of different parts of the flow system to transmit oxygenated water. The method can take account of changes in the flow system induced by pumping that result in a new distribution of reduced water.

In vitro shear bond strength of cementing agents to fixed prosthodontic restorative materials.

PubMed

Piwowarczyk, Andree; Lauer, Hans-Christoph; Sorensen, John A

2004-09-01

Durable bonding to fixed prosthodontic restorations is desirable; however, little information is available on the strength of the bond between different cements and fixed prosthodontic restorative materials. This study determined the shear-bond strength of cementing agents to high-gold-content alloy castings and different dental ceramics: high-strength aluminum oxide (Procera AllCeram), leucite-reinforced (IPS Empress), and lithium disilicate glass-ceramic (IPS Empress 2). Prepolymerized resin composite cylinders (5.5 mm internal diameter, n=20) were bonded to the pretreated surfaces of prosthodontic materials. High-gold-content alloy and high-strength aluminum oxide surfaces were airborne-particle-abraded, and pressable ceramics were hydrofluoric acid-etched and silanized prior to cementing. The cementing agents tested were a zinc-phosphate cement (Fleck's zinc cement), glass ionomer cements (Fuji I, Ketac-Cem), resin-modified glass ionomer cements (Fuji Plus, Fuji Cem, RelyX Luting), resin cements (RelyX ARC, Panavia F, Variolink II, Compolute), and a self-adhesive universal resin cement (RelyX Unicem). Half the specimens (n=10) were tested after 30 minutes; the other half (n=10) were stored in distilled water at 37 degrees C for 14 days and then thermal cycled 1000 times between 5 degrees C and 55 degrees C prior to testing. Shear-bond strength tests were performed using a universal testing machine at a constant crosshead speed of 0.5 mm/min. Statistical analysis was performed by multifactorial analysis of variance taking interactions between effects into account. For multiple paired comparisons, the Tukey method was used (alpha=.05). In a 3-way ANOVA model, the main factors substrate, cement, time, and all corresponding interactions were statistically significant (all P <.0001). In subsequent separate 1-way or 2-way ANOVA models for each substrate type, significant differences between cement types and polymerizing modes were found (all P <.001). None of the cement types provided the highest bonding values with all substrate types. After 14 days of water storage followed by thermal cycling, only the self-adhesive universal resin cement (RelyX Unicem) and 2 of the resin cements (Panavia F and Compolute) exhibited strong bond strengths to specific prosthodontic materials. In contrast, zinc-phosphate, glass ionomer, and resin-modified glass ionomer cements showed the lowest values of all tested cementing agents after 14 days of water storage followed by thermal cycling.

Variable Temperature Infrared Spectroscopy Investigation of Benzoic Acid Interactions with Montmorillonite Clay Interlayer Water.

PubMed

Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

2015-07-01

Molecular interactions between benzoic acid and cations and water contained in montmorillonite clay interlayer spaces are characterized by using variable temperature diffuse reflection infrared Fourier transform spectroscopy (VT-DRIFTS). Using sample perturbation and difference spectroscopy, infrared spectral changes resulting from removal of interlayer water and associated changes in local benzoic acid environments are identified. Difference spectra features can be correlated with changes in specific molecular vibrations that are characteristic of benzoic acid molecular orientation. Results suggest that the carboxylic acid functionality of benzoic acid interacts with interlayer cations through a bridging water molecule and that this interaction is affected by the nature of the cation present in the clay interlayer space.

Length-scale crossover of the hydrophobic interaction in a coarse-grained water model

NASA Astrophysics Data System (ADS)

Chaimovich, Aviel; Shell, M. Scott

2013-11-01

It has been difficult to establish a clear connection between the hydrophobic interaction among small molecules typically studied in molecular simulations (a weak, oscillatory force) and that found between large, macroscopic surfaces in experiments (a strong, monotonic force). Here, we show that both types of interaction can emerge with a simple, core-softened water model that captures water's unique pairwise structure. As in hydrophobic hydration, we find that the hydrophobic interaction manifests a length-scale dependence, exhibiting distinct driving forces in the molecular and macroscopic regimes. Moreover, the ability of this simple model to capture both regimes suggests that several features of the hydrophobic force can be understood merely through water's pair correlations.

Length-scale crossover of the hydrophobic interaction in a coarse-grained water model.

PubMed

Chaimovich, Aviel; Shell, M Scott

2013-11-01

It has been difficult to establish a clear connection between the hydrophobic interaction among small molecules typically studied in molecular simulations (a weak, oscillatory force) and that found between large, macroscopic surfaces in experiments (a strong, monotonic force). Here, we show that both types of interaction can emerge with a simple, core-softened water model that captures water's unique pairwise structure. As in hydrophobic hydration, we find that the hydrophobic interaction manifests a length-scale dependence, exhibiting distinct driving forces in the molecular and macroscopic regimes. Moreover, the ability of this simple model to capture both regimes suggests that several features of the hydrophobic force can be understood merely through water's pair correlations.

Interaction of SO2 with the Surface of a Water Nanodroplet.

PubMed

Zhong, Jie; Zhu, Chongqin; Li, Lei; Richmond, Geraldine L; Francisco, Joseph S; Zeng, Xiao Cheng

2017-11-29

We present a comprehensive computational study of interaction of a SO 2 with water molecules in the gas phase and with the surface of various sized water nanodroplets to investigate the solvation behavior of SO 2 in different atmospheric environments. Born-Oppenheimer molecular dynamics (BOMD) simulation shows that, in the gas phase and at a temperature of 300 K, the dominant interaction between SO 2 and H 2 O is (SO 2 ) S···O (H 2 O) , consistent with previous density-functional theory (DFT) computation at 0 K. However, at the surface of a water nanodroplet, BOMD simulation shows that the hydrogen-bonding interaction of (SO 2 ) O···H (H 2 O) becomes increasingly important with the increase of droplet size, reflecting a marked effect of the water surface on the SO 2 solvation. This conclusion is in good accordance with spectroscopy evidence obtained previously (J. Am. Chem. Soc. 2005, 127, 16806; J. Am. Chem. Soc. 2006, 128, 3256). The prevailing interaction (SO 2 ) O···H (H 2 O) on a large droplet is mainly due to favorable exposure of H atoms of H 2 O at the air-water interface. Indeed, the conversion of the dominant interaction in the gas phase (SO 2 ) S···O (H 2 O) to the dominant interaction on the water nanodroplet (SO 2 ) O···H (H 2 O) may incur effects on the SO 2 chemistry in atmospheric aerosols because the solvation of SO 2 at the water surface can affect the reactive sites and electrophilicity of SO 2 . Hence, the solvation of SO 2 on the aerosol surface may have new implications when studying SO 2 chemistry in the aerosol-containing troposphere.

Interactions of Liquid Propellant/LP XM46 With Soils

DTIC Science & Technology

1994-09-01

of the solution was plated for colony counting. Results Microbial populations before contact with I.P (controls) Bacteria were detected in BRL-SAS B...agars ( bacteria ) from the control and short-term contact tests .................... 96 Figure 3 i. Response of microfiora in Picatinny A soil to 1 hr...native actinomycetes, bacteria , and fungi after contact with LP or nmtrin, acid. Effects of washing the soil with water immediately after contact with LP

Testing the utility of the 3-PG model for growth of Eucalyptus grandis x urophylla with natural and manipulated supplies of water and nutrients

Treesearch

Jose Luiz Stape; Michael G. Ryan; Dan Binkley

2004-01-01

The productivity of fast-growing tropical plantations depends, in part, on the ability of trees to obtain and utilize site resources, and the allocation of fixed carbon (C) to wood production. Simulation models can represent these processes and interactions, but the value of these models depends on their ability to improve predictions of stand growth relative to...

Larval development ratio test with the calanoid copepod Acartia tonsa as a new bioassay to assess marine sediment quality.

PubMed

Buttino, Isabella; Vitiello, Valentina; Macchia, Simona; Scuderi, Alice; Pellegrini, David

2018-03-01

The copepod Acartia tonsa was used as a model species to assess marine sediment quality. Acute and chronic bioassays, such as larval development ratio (LDR) and different end-points were evaluated. As a pelagic species, A. tonsa is mainly exposed to water-soluble toxicants and bioassays are commonly performed in seawater. However, an interaction among A. tonsa eggs and the first larval stages with marine sediments might occur in shallow water environments. Here we tested two different LDR protocols by incubating A. tonsa eggs in elutriates and sediments coming from two areas located in Tuscany Region (Central Italy): Livorno harbour and Viareggio coast. The end-points analyzed were larval mortality (LM) and development inhibition (DI) expressed as the percentage of copepods that completed the metamorphosis from nauplius to copepodite. Aims of this study were: i) to verify the suitability of A. tonsa copepod for the bioassay with sediment and ii) to compare the sensitivity of A. tonsa exposed to different matrices, such as water and sediment. A preliminary acute test was also performed. Acute tests showed the highest toxicity of Livorno's samples (two out of three) compared to Viareggio samples, for which no effect was observed. On the contrary, LDR tests with sediments and elutriates revealed some toxic effects also for Viareggio's samples. Results were discussed with regards to the chemical characterization of the samples. Our results indicated that different end-points were affected in A. tonsa, depending on the matrices to which the copepods were exposed and on the test used. Bioassays with elutriates and sediments are suggested and LDR test could help decision-makers to identify a more appropriate management of dredging materials. Copyright © 2017 Elsevier Inc. All rights reserved.

A New Streamflow-Routing (SFR1) Package to Simulate Stream-Aquifer Interaction with MODFLOW-2000

USGS Publications Warehouse

Prudic, David E.; Konikow, Leonard F.; Banta, Edward R.

2004-01-01

The increasing concern for water and its quality require improved methods to evaluate the interaction between streams and aquifers and the strong influence that streams can have on the flow and transport of contaminants through many aquifers. For this reason, a new Streamflow-Routing (SFR1) Package was written for use with the U.S. Geological Survey's MODFLOW-2000 ground-water flow model. The SFR1 Package is linked to the Lake (LAK3) Package, and both have been integrated with the Ground-Water Transport (GWT) Process of MODFLOW-2000 (MODFLOW-GWT). SFR1 replaces the previous Stream (STR1) Package, with the most important difference being that stream depth is computed at the midpoint of each reach instead of at the beginning of each reach, as was done in the original Stream Package. This approach allows for the addition and subtraction of water from runoff, precipitation, and evapotranspiration within each reach. Because the SFR1 Package computes stream depth differently than that for the original package, a different name was used to distinguish it from the original Stream (STR1) Package. The SFR1 Package has five options for simulating stream depth and four options for computing diversions from a stream. The options for computing stream depth are: a specified value; Manning's equation (using a wide rectangular channel or an eight-point cross section); a power equation; or a table of values that relate flow to depth and width. Each stream segment can have a different option. Outflow from lakes can be computed using the same options. Because the wetted perimeter is computed for the eight-point cross section and width is computed for the power equation and table of values, the streambed conductance term no longer needs to be calculated externally whenever the area of streambed changes as a function of flow. The concentration of solute is computed in a stream network when MODFLOW-GWT is used in conjunction with the SFR1 Package. The concentration of a solute in a stream reach is based on a mass-balance approach and accounts for exchanges with (inputs from or losses to) ground-water systems. Two test examples are used to illustrate some of the capabilities of the SFR1 Package. The first test simulation was designed to illustrate how pumping of ground water from an aquifer connected to streams can affect streamflow, depth, width, and streambed conductance using the different options. The second test simulation was designed to illustrate solute transport through interconnected lakes, streams, and aquifers. Because of the need to examine time series results from the model simulations, the Gage Package first described in the LAK3 documentation was revised to include time series results of selected variables (streamflows, stream depth and width, streambed conductance, solute concentrations, and solute loads) for specified stream reaches. The mass-balance or continuity approach for routing flow and solutes through a stream network may not be applicable for all interactions between streams and aquifers. The SFR1 Package is best suited for modeling long-term changes (months to hundreds of years) in ground-water flow and solute concentrations using averaged flows in streams. The Package is not recommended for modeling the transient exchange of water between streams and aquifers when the objective is to examine short-term (minutes to days) effects caused by rapidly changing streamflows.

Test-trench studies in the Amargosa Desert, southern Nevada: Results and application of information to landfill covers in arid environments

USGS Publications Warehouse

Andraski, Brian J.; Reynolds, Timothy D.; Morris, Randall C.

1997-01-01

As arid sites in the western United States are increasingly sought for disposal of the Nation's hazardous wastes and as volumes of locally generated wastes increase, concern about the potential effect of contaminants on environmental quality is being raised. Studies at the U.S. Geological Survey's Amargosa Desert research site near Beatty, Nevada are being done to evaluate mechanisms that can affect waste isolation in an arid environment. Precipitation at the site averages about 108 mm yr-1. Results have shown that, under undisturbed conditions, the naturally stratified soils in combination with native plants are effective in limiting the potential for percolation of precipitation. Under nonvegetated waste-site conditions, data indicated the accumulation and shallow, but continued, penetration of infiltrated water, However, water potentials below the test trenches and below the 2-m depth for nonvegetated soil indicated the persistence of an upward driving force for water flow during the 5-yr test period. General trends in trench-cover subsidence suggested a positive relation with cumulative precipitation, but subsidence did not appear to have a measurable effect on the water balance. Erosion rates were inversely related to near-surface rock-fragment content. Results suggest that the ultimate fate of contaminants buried at properly managed solid-waste sites may be determined largely by the interactions among climate and the surface-cover features of the disposal facility, and how these factors change with time.

Increasing productivity by matching farming system management and genotype in water-limited environments.

PubMed

Kirkegaard, J A; Hunt, J R

2010-10-01

Improvements in water productivity and yield arise from interactions between varieties (G) and their management (M). Most G×M interactions considered by breeders and physiologists focus on in-crop management (e.g. sowing time, plant density, N management). However, opportunities exist to capture more water and use it more effectively that involve judicious management of prior crops and fallows (e.g. crop sequence, weed control, residue management). The dry-land wheat production system of southern Australia, augmented by simulation studies, is used to demonstrate the relative impacts and interactions of a range of pre-crop and in-crop management decisions on water productivity. A specific case study reveals how a novel genetic trait, long coleoptiles that enable deeper sowing, can interact with different management options to increase the water-limited yield of wheat from 1.6 t ha(-1) to 4.5 t ha(-1), reflecting the experience of leading growers. Understanding such interactions will be necessary to capture benefits from new varieties within the farming systems of the future.

A Data Analysis Toolbox for Modeling the Global Food-Energy-Water Nexus

NASA Astrophysics Data System (ADS)

AghaKouchak, A.; Sadegh, M.; Mallakpour, I.

2017-12-01

Water, Food and energy systems are highly interconnected. More than seventy percent of global water resource is used for food production. Water withdrawal, purification, and transfer systems are energy intensive. Furthermore, energy generation strongly depends on water availability. Therefore, considering the interactions in the nexus of water, food and energy is crucial for sustainable management of available resources. In this presentation, we introduce a user-friendly data analysis toolbox that mines the available global data on food, energy and water, and analyzes their interactions. This toolbox provides estimates of water footprint for a wide range of food types in different countries and also approximates the required energy and water resources. The toolbox also provides estimates of the corresponding emissions and biofuel production of different crops. In summary, this toolbox allows evaluating dependencies of the food, energy, and water systems at the country scale. We present global analysis of the interactions between water, food and energy from different perspectives including efficiency and diversity of resources use.

Phenolic Polymer Solvation in Water and Ethylene Glycol, II: Ab Initio Computations.

PubMed

Bauschlicher, Charles W; Bucholz, Eric W; Haskins, Justin B; Monk, Joshua D; Lawson, John W

2017-04-06

Ab initio techniques are used to study the interaction of ethylene glycol and water with a phenolic polymer. The water bonds more strongly with the phenolic OH than with the ring. The phenolic OH groups can form hydrogen bonds between themselves. For more than one water molecule, there is a competition between water-water and water-phenolic interactions. Ethylene glycol shows the same effects as those of water, but the potential energy surface is further complicated by CH 2 -phenolic interactions, different conformers of ethylene glycol, and two OH groups on each molecule. Thus, the ethylene glycol-phenolic potential is more complicated than the water-phenolic potential. The results of the ab initio calculations are compared to those obtained using a force field. These calibration studies show that the water system is easier to describe than the ethylene glycol system. The calibration studies confirm the reliability of force fields used in our companion molecular dynamics study of a phenolic polymer in water and ethylene solutions.

Coupled SWAT-MODFLOW Model Development for Large Basins

NASA Astrophysics Data System (ADS)

Aliyari, F.; Bailey, R. T.; Tasdighi, A.

2017-12-01

Water management in semi-arid river basins requires allocating water resources between urban, industrial, energy, and agricultural sectors, with the latter competing for necessary irrigation water to sustain crop yield. Competition between these sectors will intensify due to changes in climate and population growth. In this study, the recently developed SWAT-MODFLOW coupled hydrologic model is modified for application in a large managed river basin that provides both surface water and groundwater resources for urban and agricultural areas. Specific modifications include the linkage of groundwater pumping and irrigation practices and code changes to allow for the large number of SWAT hydrologic response units (HRU) required for a large river basin. The model is applied to the South Platte River Basin (SPRB), a 56,980 km2 basin in northeastern Colorado dominated by large urban areas along the front range of the Rocky Mountains and agriculture regions to the east. Irregular seasonal and annual precipitation and 150 years of urban and agricultural water management history in the basin provide an ideal test case for the SWAT-MODFLOW model. SWAT handles land surface and soil zone processes whereas MODFLOW handles groundwater flow and all sources and sinks (pumping, injection, bedrock inflow, canal seepage, recharge areas, groundwater/surface water interaction), with recharge and stream stage provided by SWAT. The model is tested against groundwater levels, deep percolation estimates, and stream discharge. The model will be used to quantify spatial groundwater vulnerability in the basin under scenarios of climate change and population growth.

Numerical sedimentation particle-size analysis using the Discrete Element Method

NASA Astrophysics Data System (ADS)

Bravo, R.; Pérez-Aparicio, J. L.; Gómez-Hernández, J. J.

2015-12-01

Sedimentation tests are widely used to determine the particle size distribution of a granular sample. In this work, the Discrete Element Method interacts with the simulation of flow using the well known one-way-coupling method, a computationally affordable approach for the time-consuming numerical simulation of the hydrometer, buoyancy and pipette sedimentation tests. These tests are used in the laboratory to determine the particle-size distribution of fine-grained aggregates. Five samples with different particle-size distributions are modeled by about six million rigid spheres projected on two-dimensions, with diameters ranging from 2.5 ×10-6 m to 70 ×10-6 m, forming a water suspension in a sedimentation cylinder. DEM simulates the particle's movement considering laminar flow interactions of buoyant, drag and lubrication forces. The simulation provides the temporal/spatial distributions of densities and concentrations of the suspension. The numerical simulations cannot replace the laboratory tests since they need the final granulometry as initial data, but, as the results show, these simulations can identify the strong and weak points of each method and eventually recommend useful variations and draw conclusions on their validity, aspects very difficult to achieve in the laboratory.

Lifshitz interaction can promote ice growth at water-silica interfaces

NASA Astrophysics Data System (ADS)

Boström, Mathias; Malyi, Oleksandr I.; Parashar, Prachi; Shajesh, K. V.; Thiyam, Priyadarshini; Milton, Kimball A.; Persson, Clas; Parsons, Drew F.; Brevik, Iver

2017-04-01

At air-water interfaces, the Lifshitz interaction by itself does not promote ice growth. On the contrary, we find that the Lifshitz force promotes the growth of an ice film, up to 1-8 nm thickness, near silica-water interfaces at the triple point of water. This is achieved in a system where the combined effect of the retardation and the zero frequency mode influences the short-range interactions at low temperatures, contrary to common understanding. Cancellation between the positive and negative contributions in the Lifshitz spectral function is reversed in silica with high porosity. Our results provide a model for how water freezes on glass and other surfaces.

Effect of magnetic field on seed germination and seedling growth of sunflower

NASA Astrophysics Data System (ADS)

Matwijczuk, A.; Kornarzyński, K.; Pietruszewski, S.

2012-07-01

The impact of a variable magnetic field, magnetically treated water and a combination of both these factors on the germination of seeds and the final mass at the initial stage of growth sunflower plants was presented. Investigations were carried out in pots filled with sand, tin an air-conditioned plant house with no access to daylight using fluorescent light as illumination. A statistical significance positive impact was achieved for the samples subjected to the interaction of both stimulating factors simultaneously, the magnetic field and the impact of treated water several times on the speed of seed germination and final plant mass. Negative impacts were obtained for the majority of the test cases, for the magnetically treated water, the short duration of activity of the magnetic field and for the connection of the magnetic field and low-flow times.

Spread of large LNG pools on the sea.

PubMed

Fay, J A

2007-02-20

A review of the standard model of LNG pool spreading on water, comparing it with the model and experiments on oil pool spread from which the LNG model is extrapolated, raises questions about the validity of the former as applied to spills from marine tankers. These questions arise from the difference in fluid density ratios, in the multi-dimensional flow at the pool edge, in the effects of LNG pool boiling at the LNG-water interface, and in the model and experimental initial conditions compared with the inflow conditions from a marine tanker spill. An alternate supercritical flow model is proposed that avoids these difficulties; it predicts significant increase in the maximum pool radius compared with the standard model and is partially corroborated by tests of LNG pool fires on water. Wind driven ocean wave interaction has little effect on either spread model.

A coupled surface-water and ground-water flow model (MODBRANCH) for simulation of stream-aquifer interaction

USGS Publications Warehouse

Swain, Eric D.; Wexler, Eliezer J.

1996-01-01

Ground-water and surface-water flow models traditionally have been developed separately, with interaction between subsurface flow and streamflow either not simulated at all or accounted for by simple formulations. In areas with dynamic and hydraulically well-connected ground-water and surface-water systems, stream-aquifer interaction should be simulated using deterministic responses of both systems coupled at the stream-aquifer interface. Accordingly, a new coupled ground-water and surface-water model was developed by combining the U.S. Geological Survey models MODFLOW and BRANCH; the interfacing code is referred to as MODBRANCH. MODFLOW is the widely used modular three-dimensional, finite-difference ground-water model, and BRANCH is a one-dimensional numerical model commonly used to simulate unsteady flow in open- channel networks. MODFLOW was originally written with the River package, which calculates leakage between the aquifer and stream, assuming that the stream's stage remains constant during one model stress period. A simple streamflow routing model has been added to MODFLOW, but is limited to steady flow in rectangular, prismatic channels. To overcome these limitations, the BRANCH model, which simulates unsteady, nonuniform flow by solving the St. Venant equations, was restructured and incorporated into MODFLOW. Terms that describe leakage between stream and aquifer as a function of streambed conductance and differences in aquifer and stream stage were added to the continuity equation in BRANCH. Thus, leakage between the aquifer and stream can be calculated separately in each model, or leakages calculated in BRANCH can be used in MODFLOW. Total mass in the coupled models is accounted for and conserved. The BRANCH model calculates new stream stages for each time interval in a transient simulation based on upstream boundary conditions, stream properties, and initial estimates of aquifer heads. Next, aquifer heads are calculated in MODFLOW based on stream stages calculated by BRANCH, aquifer properties, and stresses. This process is repeated until convergence criteria are met for head and stage. Because time steps used in ground-water modeling can be much longer than time intervals used in surface- water simulations, provision has been made for handling multiple BRANCH time intervals within one MODFLOW time step. An option was also added to BRANCH to allow the simulation of channel drying and rewetting. Testing of the coupled model was verified by using data from previous studies; by comparing results with output from a simpler, four-point implicit, open-channel flow model linked with MODFLOW; and by comparison to field studies of L-31N canal in southern Florida.

CO2 and Er:YAG laser interaction with grass tissues

NASA Astrophysics Data System (ADS)

Kim, Jaehun; Ki, Hyungson

2013-01-01

Plant leaves are multi-component optical materials consisting of water, pigments, and dry matter, among which water is the predominant constituent. In this article, we investigate laser interaction with grass using CO2 and Er:YAG lasers theoretically and experimentally, especially targeting water in grass tissues. We have first studied the optical properties of light absorbing constituents of grass theoretically, and then have identified interaction regimes and constructed interaction maps through a systematic experiment. Using the interaction maps, we have studied how interaction regimes change as process parameters are varied. This study reveals some interesting findings concerning carbonization and ablation mechanisms, the effect of laser beam diameter, and the ablation efficiency and quality of CO2 and Er:YAG lasers.

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.

Oyster Fisheries App

NASA Technical Reports Server (NTRS)

Perez Guerrero, Geraldo A.; Armstrong, Duane; Underwood, Lauren

2015-01-01

This project is creating a cloud-enabled, HTML 5 web application to help oyster fishermen and state agencies apply Earth science to improve the management of this important natural and economic resource. The Oyster Fisheries app gathers and analyzes environmental and water quality information, and alerts fishermen and resources managers about problems in oyster fishing waters. An intuitive interface based on Google Maps displays the geospatial information and provides familiar interactive controls to the users. Alerts can be tailored to notify users when conditions in specific leases or public fishing areas require attention. The app is hosted on the Amazon Web Services cloud. It is being developed and tested using some of the latest web development tools such as web components and Polymer.

CFD Simulations of the IHF Arc-Jet Flow: Compression-Pad/Separation Bolt Wedge Tests

NASA Technical Reports Server (NTRS)

Gokcen, Tahir; Skokova, Kristina A.

2017-01-01

This paper reports computational analyses in support of two wedge tests in a high enthalpy arc-jet facility at NASA Ames Research Center. These tests were conducted using two different wedge models, each placed in a free jet downstream of a corresponding different conical nozzle in the Ames 60-MW Interaction Heating Facility. Panel test articles included a metallic separation bolt imbedded in the compression-pad and heat shield materials, resulting in a circular protuberance over a flat plate. As part of the test calibration runs, surface pressure and heat flux measurements on water-cooled calibration plates integrated with the wedge models were also obtained. Surface heating distributions on the test articles as well as arc-jet test environment parameters for each test configuration are obtained through computational fluid dynamics simulations, consistent with the facility and calibration measurements. The present analysis comprises simulations of the non-equilibrium flow field in the facility nozzle, test box, and flow field over test articles, and comparisons with the measured calibration data.

USE OF CONTINUOUS DATALOGGERS TO ASSESS THE TEMPORAL AND SPATIAL VARIATION OF GROUND WATER/SURFACE WATER INTERACTION BEFORE AND AFTER STREAM RESTORATION

EPA Science Inventory

Minebank Run is a degraded second-order flashy urban stream in Baltimore County which is slated to undergo restoration in August 2003 to re-establish geomorphic stability. We are currently conducting an intensive investigation of surface water/ground water interaction and nutrien...

Is homeopathy possible?

PubMed

Milgrom, Lionel R

2006-09-01

As a therapeutic intervention, homeopathy is the target of increased scepticism because in the main, its remedies are diluted and succussed (potentized) out of material existence. This puts homeopathy seemingly at odds with the paradigm of conventional science, in particular, that atoms and molecules are the fundamental building blocks of all matter. Accordingly, homeopathy cannot work, so that any reported beneficial effects must, at best, be due to the placebo effect. The purpose of this article is to challenge that conclusion and to suggest that there may well be conventional science-based explanations of how homeopathy could be possible. Homeopathy's key principles are first described. Then the double-blind randomized controlled trial (RCT), the chief means by which homeopathic remedies and prescribing are tested, is shown to be based on a linear reductionism that is too blunt an instrument with which to test the efficacy of complex interventions such as homeopathy The memory of water hypothesis, as a mechanism for how potentized remedies might work, is reviewed, along with some evidence for its existence. A possible rationale for the water memory effect is proposed in terms of a dynamic 'ordering' of water's constantly switching network of intermolecular hydrogen bonds, induced by the manufacturing process of homeopathic remedies. This could lead to a long-range molecular 'coherence' between trillions of mobile water molecules. However, the water memory effect is an essentially pharmacological explanation of homeopathy's putative efficacy. It is pointed out that healing also entails an interaction between consenting beings. From this point of view, an explanation of any therapeutic procedure should include an attempt to describe the nature of the patient-practitioner interaction. From this perspective, a quantum theoretical treatment of the therapeutic process, involving a form of macro-entanglement between patient, practitioner and remedy (PPR), is advanced as another possible explanation of the homeopathy's efficacy. This shows that the reason double-blind RCTs deliver at best only equivocal results on homeopathy's efficacy is because it effectively breaks the PPR entangled state. A comparison is made between the entanglement-breaking effect of double-blind RCTs and the wave-function 'collapsing' effect of observation in orthodox quantum theory. The article concludes by suggesting that the memory of water and PPR entanglement are not competing but most likely complementary hypotheses, and that both are probably required in order to provide a complete description of the homeopathic process. While awaiting experimental evidence of these hypotheses, it is suggested that observations of clinical outcomes would be superior to RCTs for further testing homeopathy's efficacy.

Investigation of transport process involved in FGD. Final repot, September 1, 1993--August 31, 1994

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

Kadambi, J.R.; Tien, J.S.; Yurteri, C.

1995-02-01

The objectives of this five year plan of study are to experimentally obtain a basic understanding of (1) turbulent flow structure of the mixing zone and it influence on particle dispersion, (2) the effect of particle loading on turbulent properties and mixing, (3) the effect of jet entrainment, (4) water spray-sorbent interaction, sorbent wetting and mixing, (5) investigate the flow field where certain ratios of jet velocity to flu gas velocity result in regions of negative flow and define onset o negative flow, and (6) sorbent reactivity in immediate mixing zone. In the first two years of the project amore » sorbent injection facility which can simulate the conditions encountered in COOLSIDE set up was designed and built. Non-intrusive laser based diagnostic tools PDA/LDA were used for flow characterization of particle laden jet in cocurrent flows. In the third year a new technique called TTLDV which combines particle transit time in measurement volume of LDV and LDV velocity measurements to simultaneously obtain non-spherical lime particle size and velocity was developed. Better sorbent injection schemes were investigated spray occurrent flow tests were conducted. During the fourth year the spray cocurrent flow interaction data was analyzed. A criterion was developed for predicting the flow reversal which results in deposition of water droplets on the duct wall (Table 3). The flow reversal occurs when the spray has entrained all the cocurrent flowing stream. The criterion is based upon the mass flow rate of the two phases. The criterion successfully predicted the flow reversals encountered in the experiments and will be a very useful practical tool. Lime laden jet occurrent flow interactions tests were completed. Tests on the swirling nozzle have been conducted. The single phase data have been analyzed while the two phase glass particle laden jet data is being analyzed.« less

How ions affect the structure of water.

PubMed

Hribar, Barbara; Southall, Noel T; Vlachy, Vojko; Dill, Ken A

2002-10-16

We model ion solvation in water. We use the MB model of water, a simple two-dimensional statistical mechanical model in which waters are represented as Lennard-Jones disks having Gaussian hydrogen-bonding arms. We introduce a charge dipole into MB waters. We perform (NPT) Monte Carlo simulations to explore how water molecules are organized around ions and around nonpolar solutes in salt solutions. The model gives good qualitative agreement with experiments, including Jones-Dole viscosity B coefficients, Samoilov and Hirata ion hydration activation energies, ion solvation thermodynamics, and Setschenow coefficients for Hofmeister series ions, which describe the salt concentration dependence of the solubilities of hydrophobic solutes. The two main ideas captured here are (1) that charge densities govern the interactions of ions with water, and (2) that a balance of forces determines water structure: electrostatics (water's dipole interacting with ions) and hydrogen bonding (water interacting with neighboring waters). Small ions (kosmotropes) have high charge densities so they cause strong electrostatic ordering of nearby waters, breaking hydrogen bonds. In contrast, large ions (chaotropes) have low charge densities, and surrounding water molecules are largely hydrogen bonded.

Hydrogeologic data for the Big River-Mishnock River stream-aquifer system, central Rhode Island

USGS Publications Warehouse

Craft, P.A.

2001-01-01

Hydrogeology, ground-water development alternatives, and water quality in the BigMishnock stream-aquifer system in central Rhode Island are being investigated as part of a long-term cooperative program between the Rhode Island Water Resources Board and the U.S. Geological Survey to evaluate the ground-water resources throughout Rhode Island. The study area includes the Big River drainage basin and that portion of the Mishnock River drainage basin upstream from the Mishnock River at State Route 3. This report presents geologic data and hydrologic and water-quality data for ground and surface water. Ground-water data were collected from July 1996 through September 1998 from a network of observation wells consisting of existing wells and wells installed for this study, which provided a broad distribution of data-collection sites throughout the study area. Streambed piezometers were used to obtain differences in head data between surface-water levels and ground-water levels to help evaluate stream-aquifer interactions throughout the study area. The types of data presented include monthly ground-water levels, average daily ground-water withdrawals, drawdown data from aquifer tests, and water-quality data. Historical water-level data from other wells within the study area also are presented in this report. Surface-water data were obtained from a network consisting of surface-water impoundments, such as ponds and reservoirs, existing and newly established partial-record stream-discharge sites, and synoptic surface-water-quality sites. Water levels were collected monthly from the surface-water impoundments. Stream-discharge measurements were made at partial-record sites to provide measurements of inflow, outflow, and internal flow throughout the study area. Specific conductance was measured monthly at partial-record sites during the study, and also during the fall and spring of 1997 and 1998 at 41 synoptic sites throughout the study area. General geologic data, such as estimates of depth to bedrock and depth to water table, as well as indications of underlying geologic structure, were obtained from geophysical surveys. Site-specific geologic data were collected during the drilling of observation wells and test holes. These data include depth to bedrock or refusal, depth to water table, and lithologic information.

The Interaction of Water with Solid Surfaces: Fundamental Aspects Revisited

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

Henderson, Michael A.

2002-05-01

Water is perhaps the most important and most pervasive chemical on our planet. The influence of water permeates virtually all areas of biochemical, chemical and physical importance, and is especially evident in phenomena occurring at the interfaces of solid surfaces. Since 1987, when Thiel and Madey (TM) published their review titled "The Interaction of Water with Solid Surfaces: Fundamental Aspects" in Surface Science Reports, there has been considerable progress made in further understanding the fundamental interactions of water with solid surfaces. In the decade and a half, the increased capability of surface scientists to probe at the molecular-level has resultedmore » in more detailed information of the properties of water on progressively more complicated materials and under more stringent conditions. This progress in understanding the properties of water on solid surfaces is evident both in areas for which surface science methodology has traditionally been strong (catalysis and electronic materials) and also in new areas not traditionally studied by surface scientists, such as electrochemistry, photoconversion, mineralogy, adhesion, sensors, atmospheric chemistry, and tribology. Researchers in all these fields grapple with very basic questions regarding the interactions of water with solid surfaces, such as how is water adsorbed, what are the chemical and electrostatic forces that constitute the adsorbed layer, how is water thermally or non-thermally activated, and how do coadsorbates influence these properties of water. The attention paid to these and other fundamental questions in the past decade and a half has been immense. In this review, experimental studies published since the TM review are assimilated with those covered by TM to provide a current picture of the fundamental interactions of water with solid surfaces.« less

Suppression of ENSO in a coupled model without water vapor feedback

NASA Astrophysics Data System (ADS)

Hall, A.; Manabe, S.

We examine 800-year time series of internally generated variability in both a coupled ocean-atmosphere model where water vapor anomalies are not allowed to interact with longwave radiation and one where they are. The ENSO-like phenomenon in the experiment without water vapor feedback is drastically suppressed both in amplitude and geographic extent relative to the experiment with water vapor feedback. Surprisingly, the reduced amplitude of ENSO-related sea surface temperature anomalies in the model without water vapor feedback cannot be attributed to greater longwave damping of sea surface temperature. (Differences between the two experiments in radiative feedback due to clouds counterbalance almost perfectly the differences in radiative feedback due to water vapor.) Rather, the interaction between water vapor anomalies and longwave radiation affects the ENSO-like phenomenon through its influence on the vertical structure of radiative heating: Because of the changes in water vapor associated with it, a given warm equatorial Pacific sea surface temperature anomaly is associated with a radiative heating profile that is much more gravitationally unstable when water vapor feedback is present. The warm sea surface temperature anomaly therefore results in more convection in the experiment with water vapor feedback. The increased convection, in turn, is related to a larger westerly wind-stress anomaly, which creates a larger decrease in upwelling of cold water, thereby enhancing the magnitude of the original warm sea surface temperature anomaly. In this manner, the interaction between water vapor anomalies and longwave radiation magnifies the air-sea interactions at the heart of the ENSO phenomenon; without this interaction, the coupling between sea surface temperature and wind stress is effectively reduced, resulting in smaller amplitude ENSO episodes with a more limited geographical extent.

Mixing coarse-grained and fine-grained water in molecular dynamics simulations of a single system.

PubMed

Riniker, Sereina; van Gunsteren, Wilfred F

2012-07-28

The use of a supra-molecular coarse-grained (CG) model for liquid water as solvent in molecular dynamics simulations of biomolecules represented at the fine-grained (FG) atomic level of modelling may reduce the computational effort by one or two orders of magnitude. However, even if the pure FG model and the pure CG model represent the properties of the particular substance of interest rather well, their application in a hybrid FG/CG system containing varying ratios of FG versus CG particles is highly non-trivial, because it requires an appropriate balance between FG-FG, FG-CG, and CG-CG energies, and FG and CG entropies. Here, the properties of liquid water are used to calibrate the FG-CG interactions for the simple-point-charge water model at the FG level and a recently proposed supra-molecular water model at the CG level that represents five water molecules by one CG bead containing two interaction sites. Only two parameters are needed to reproduce different thermodynamic and dielectric properties of liquid water at physiological temperature and pressure for various mole fractions of CG water in FG water. The parametrisation strategy for the FG-CG interactions is simple and can be easily transferred to interactions between atomistic biomolecules and CG water.

Phase transitions of a water overlayer on charged graphene: from electromelting to electrofreezing.

PubMed

Zhu, Xueyan; Yuan, Quanzi; Zhao, Ya-Pu

2014-05-21

We show by using molecular dynamics simulations that a water overlayer on charged graphene experiences first-order ice-to-liquid (electromelting), and then liquid-to-ice (electrofreezing) phase transitions with the increase of the charge value. Corresponding to the ice-liquid-ice transition, the variations of the order parameters indicate an order-disorder-order transition. The key to this novel phenomenon is the surface charge induced change of the orientations of water dipoles, which leads to the change of the water-water interactions from being attractive to repulsive at a critical charge value qc. To further uncover how the orientations of water dipoles influence the interaction strength between water molecules, a theoretical model considering both the Coulomb and van der Waals interactions is established. The results show that with the increase of the charge value, the interaction strength between water molecules decreases below qc, then increases above qc. These two inverse processes lead to electromelting and electrofreezing, respectively. Combining this model with the Eyring equation, the diffusion coefficient is obtained, the variation of which is in qualitative agreement with the simulation results. Our findings not only expand our knowledge of the graphene-water interface, but related analyses could also help recognize the controversial role of the surface charge or electric field in promoting phase transitions of water.

Interaction between ground water and surface water in Taylor Slough and vicinity, Everglades National Park, South Florida; study methods and appendixes

USGS Publications Warehouse

Harvey, Judson W.; Jackson, J.M.; Mooney, R.H.; Choi, Jungyill

2000-01-01

The data presented in this report are products of an investigation that quantified interactions between ground water and surface water in Taylor Slough in Everglades National Park. Determining the extent of hydrologic interactions between wetland surface water and ground water in Taylor Slough is important because the balance of freshwater flow in the lower part of the Slough is uncertain. Although freshwater flows through Taylor Slough are quite small in comparison to Shark Slough (the larger of the two major sloughs in Everglades National Park), flows through Taylor Slough are especially important to the ecology of estuarine mangrove embayments of northeastern Florida Bay. Also, wetland and ground- water interactions must be quantified if their role in affecting water quality is to be determined. In order to define basic hydrologic characteristics of the wetland, depth of wetland peat was mapped, and hydraulic conductivity and vertical hydraulic gradients in peat were determined. During specific time periods representing both wet and dry conditions in the area, the distribution of major ions, nutrients, and water stable isotopes throughout the slough were determined. The purpose of chemical measurements was to identify an environmental tracer could be used to quantify ground-water discharge.

Intermolecular interaction in nucleobases and dimethyl sulfoxide/water molecules: A DFT, NBO, AIM and NCI analysis.

PubMed

Venkataramanan, Natarajan Sathiyamoorthy; Suvitha, Ambigapathy; Kawazoe, Yoshiyuki

2017-11-01

This study aims to cast light on the physico-chemical nature and energetics of interactions between the nucleobases and water/DMSO molecules which occurs through the non-conventional CH⋯O/N-H bonds using a comprehensive quantum-chemical approach. The computed interaction energies do not show any appreciable change for all the nucleobase-solvent complexes, conforming the experimental findings on the hydration enthalpies. Compared to water, DMSO form complexes with high interaction energies. The quantitative molecular electrostatic potentials display a charge transfer during the complexation. NBO analysis shows the nucleobase-DMSO complexes, have higher stabilization energy values than the nucleobase-water complexes. AIM analysis illustrates that the in the nucleobase-DMSO complexes, SO⋯H-N type interaction have strongest hydrogen bond strength with high E HB values. Furthermore, the Laplacian of electron density and total electron density were negative indicating the partial covalent nature of bonding in these systems, while the other bonds are classified as noncovalent interactions. EDA analysis indicates, the electrostatic interaction is more pronounced in the case of nucleobase-water complexes, while the dispersion contribution is more dominant in nucleobase-DMSO complexes. NCI-RDG analysis proves the existence of strong hydrogen bonding in nucleobase-DMSO complex, which supports the AIM results. Copyright © 2017 Elsevier Inc. All rights reserved.

Accelerated evaporation of water on graphene oxide.

PubMed

Wan, Rongzheng; Shi, Guosheng

2017-03-29

Using molecular dynamics simulations, we show that the evaporation of nanoscale volumes of water on patterned graphene oxide is faster than that on homogeneous graphene oxide. The evaporation rate of water is insensitive to variation in the oxidation degree of the oxidized regions, so long as the water film is only distributed on the oxidized regions. The evaporation rate drops when the water film spreads onto the unoxidized regions. Further analysis showed that varying the oxidation degree observably changed the interaction between the outmost water molecules and the solid surface, but the total interaction for the outmost water molecules only changed a very limited amount due to the correspondingly regulated water-water interaction when the water film is only distributed on the oxidized regions. When the oxidation degree is too low and some unoxidized regions are also covered by the water film, the thickness of the water film decreases, which extends the lifetime of the hydrogen bonds for the outmost water molecules and lowers the evaporation rate of the water. The insensitivity of water evaporation to the oxidation degree indicates that we only need to control the scale of the unoxidized and oxidized regions for graphene oxide to regulate the evaporation of nanoscale volumes of water.

Modeling the Surface Water-Groundwater Interaction in Arid and Semi-Arid Regions Impacted by Agricultural Activities

NASA Astrophysics Data System (ADS)

Tian, Y.; Wu, B.; Zheng, Y.

2013-12-01

In many semi-arid and arid regions, interaction between surface water and groundwater plays an important role in the eco-hydrological system. The interaction is often complicated by agricultural activities such as surface water diversion, groundwater pumping, and irrigation. In existing surface water-groundwater integrated models, simulation of the interaction is often simplified, which could introduce significant simulation uncertainty under certain circumstance. In this study, GSFLOW, a USGS model coupling PRMS and MODFLOW, was improved to better characterize the surface water-groundwater interaction. The practices of water diversion from rivers, groundwater pumping and irrigation are explicitly simulated. In addition, the original kinematic wave routing method was replaced by a dynamic wave routing method. The improved model was then applied in Zhangye Basin (the midstream part of Heihe River Baisn), China, where the famous 'Silk Road' came through. It is a typical semi-arid region of the western China, with extensive agriculture in its oasis. The model was established and calibrated using the data in 2000-2008. A series of numerical experiments were conducted to evaluate the effect of those improvements. It has been demonstrated that with the improvements, the observed streamflow and groundwater level were better reproduced by the model. The improvements have a significant impact on the simulation of multiple fluxes associated with the interaction, such as groundwater discharge, riverbed seepage, infiltration, etc. Human activities were proved to be key elements of the water cycle in the study area. The study results have important implications to the water resources modeling and management in semi-arid and arid basins.

Orientation-dependent hydration structures at yttria-stabilized cubic zirconia surfaces

DOE PAGES

Hou, Binyang; Kim, Seunghyun; Kim, Taeho; ...

2016-11-30

Water interaction with surfaces is very important and plays key roles in many natural and technological processes. Because the experimental challenges that arise when studying the interaction water with specific crystalline surfaces, most studies on metal oxides have focused on powder samples, which averaged the interaction over different crystalline surfaces. As a result, studies on the crystal orientation-dependent interaction of water with metal oxides are rarely available in the literature. In this work, water adsorption at 8 mol % yttria-stabilized cubic single crystal zirconia (100) and (111) surfaces was studied in terms of interfacial hydration structures using high resolution X-raymore » reflectivity measurements. The interfacial electron density profiles derived from the structure factor analysis of the measured data show the existence of multiple layers of adsorbed water with additional peculiar metal adsorption near the oxide surfaces.Surface relaxation, depletion, and interaction between the adsorbed layers and bulk water are found to vary greatly between the two surfaces and are also different when compared to the previously studied (110) surface. The fractional ratio between chemisorbed and physisorbed water species were also quantitatively estimated, which turned out to vary dramatically from surface to surface. Finally, the result gives us a unique opportunity to reconsider the simplified 2:1 relation between chemisorption and physisorption, originally proposed by Morimoto et al. based on the adsorption isotherms of water on powder metal oxide samples.« less

Aqueous or solvent based surface modification: The influence of the combination solvent - organic functional group on the surface characteristics of titanium dioxide grafted with organophosphonic acids

NASA Astrophysics Data System (ADS)

Roevens, Annelore; Van Dijck, Jeroen G.; Geldof, Davy; Blockhuys, Frank; Prelot, Benedicte; Zajac, Jerzy; Meynen, Vera

2017-09-01

To alter the versatility of interactions at its surface, TiO2 is modified with organophosphonic acids (PA). A thorough understanding of the role of all synthesis conditions is necessary to achieve controlled functionalization. This study reports on the effect of using water, toluene and their mixtures when performing the modification of TiO2 with PA. Sorption and calorimetry measurements of surface interactions with various probing species clearly indicate that, by grafting PA in water, clear differences appear in the distribution of organic groups on the surface. Also the functional group of the PA determines the impact of using water as solvent. Modification in toluene results in a higher modification degree for propylphosphonic acid (3PA), as the solvent-solute interaction may hinder the grafting with phenylphosphonic acid (PhPA) in toluene. Water is preferred as solvent for PhPA modification as stabilizing π-OH interactions enhance surface grafting overcoming the competitive interaction of water at the surface as observed with 3PA. By using water in toluene mixtures for the functionalization of TiO2 with 3PA, the degree of functionalization is higher than when only water or toluene is used. Furthermore, adding small amounts of water leads to the formation of titanium propylphosphonates, next to surface grafting.

Effects of van der Waals forces and salt ions on the growth of water films on ice and the detachment of CO2 bubbles

NASA Astrophysics Data System (ADS)

Thiyam, P.; Lima, E. R. A.; Malyi, O. I.; Parsons, D. F.; Buhmann, S. Y.; Persson, C.; Boström, M.

2016-02-01

We study the effect of salts on the thickness of wetting films on melting ice and interactions acting on CO2 bubble near ice-water and vapor-water interfaces. Governing mechanisms are the Lifshitz and the double-layer interactions in the respective three-layer geometries. We demonstrate that the latter depend on the Casimir-Polder interaction of the salt ions dissolved in water with the respective ice, vapor and CO2 interfaces, as calculated using different models for their effective polarizability in water. Significant variation in the predicted thickness of the equilibrium water film is observed for different salt ions and when using different models for the ions' polarizabilities. We find that CO2 bubbles are attracted towards the ice-water interface and repelled from the vapor-water interface.

Studying groundwater and surface water interactions using airborne remote sensing in Heihe River basin, northwest China

NASA Astrophysics Data System (ADS)

Liu, C.; Liu, J.; Hu, Y.; Zheng, C.

2015-05-01

Managing surface water and groundwater as a unified system is important for water resource exploitation and aquatic ecosystem conservation. The unified approach to water management needs accurate characterization of surface water and groundwater interactions. Temperature is a natural tracer for identifying surface water and groundwater interactions, and the use of remote sensing techniques facilitates basin-scale temperature measurement. This study focuses on the Heihe River basin, the second largest inland river basin in the arid and semi-arid northwest of China where surface water and groundwater undergoes dynamic exchanges. The spatially continuous river-surface temperature of the midstream section of the Heihe River was obtained by using an airborne pushbroom hyperspectral thermal sensor system. By using the hot spot analysis toolkit in the ArcGIS software, abnormally cold water zones were identified as indicators of the spatial pattern of groundwater discharge to the river.

Modeling decadal timescale interactions between surface water and ground water in the central Everglades, Florida, USA

USGS Publications Warehouse

Harvey, J.W.; Newlin, J.T.; Krupa, S.L.

2006-01-01

Surface-water and ground-water flow are coupled in the central Everglades, although the remoteness of this system has hindered many previous attempts to quantify interactions between surface water and ground water. We modeled flow through a 43,000 ha basin in the central Everglades called Water Conservation Area 2A. The purpose of the model was to quantify recharge and discharge in the basin's vast interior areas. The presence and distribution of tritium in ground water was the principal constraint on the modeling, based on measurements in 25 research wells ranging in depth from 2 to 37 m. In addition to average characteristics of surface-water flow, the model parameters included depth of the layer of 'interactive' ground water that is actively exchanged with surface water, average residence time of interactive ground water, and the associated recharge and discharge fluxes across the wetland ground surface. Results indicated that only a relatively thin (8 m) layer of the 60 m deep surfical aquifer actively exchanges surface water and ground water on a decadal timescale. The calculated storage depth of interactive ground water was 3.1 m after adjustment for the porosity of peat and sandy limestone. Modeling of the tritium data yielded an average residence time of 90 years in interactive ground water, with associated recharge and discharge fluxes equal to 0.01 cm d -1. 3H/3He isotopic ratio measurements (which correct for effects of vertical mixing in the aquifer with deeper, tritium-dead water) were available from several wells, and these indicated an average residence time of 25 years, suggesting that residence time was overestimated using tritium measurements alone. Indeed, both residence time and storage depth would be expected to be overestimated due to vertical mixing. The estimate of recharge and discharge (0.01 cm d-1) that resulted from tritium modeling therefore is still considered reliable, because the ratio of residence time and storage depth (used to calculated recharge and discharge) is much less sensitive to vertical mixing compared with residence time alone. We conclude that a small but potentially significant component of flow through the Everglades is recharged to the aquifer and stored there for years to decades before discharged back to surface water. Long-term storage of water and solutes in the ground-water system beneath the wetlands has implications for restoration of Everglades water quality.

Modeling decadal timescale interactions between surface water and ground water in the central Everglades, Florida, USA

NASA Astrophysics Data System (ADS)

Harvey, Judson W.; Newlin, Jessica T.; Krupa, Steven L.

2006-04-01

Surface-water and ground-water flow are coupled in the central Everglades, although the remoteness of this system has hindered many previous attempts to quantify interactions between surface water and ground water. We modeled flow through a 43,000 ha basin in the central Everglades called Water Conservation Area 2A. The purpose of the model was to quantify recharge and discharge in the basin's vast interior areas. The presence and distribution of tritium in ground water was the principal constraint on the modeling, based on measurements in 25 research wells ranging in depth from 2 to 37 m. In addition to average characteristics of surface-water flow, the model parameters included depth of the layer of 'interactive' ground water that is actively exchanged with surface water, average residence time of interactive ground water, and the associated recharge and discharge fluxes across the wetland ground surface. Results indicated that only a relatively thin (8 m) layer of the 60 m deep surfical aquifer actively exchanges surface water and ground water on a decadal timescale. The calculated storage depth of interactive ground water was 3.1 m after adjustment for the porosity of peat and sandy limestone. Modeling of the tritium data yielded an average residence time of 90 years in interactive ground water, with associated recharge and discharge fluxes equal to 0.01 cm d -1. 3H/ 3He isotopic ratio measurements (which correct for effects of vertical mixing in the aquifer with deeper, tritium-dead water) were available from several wells, and these indicated an average residence time of 25 years, suggesting that residence time was overestimated using tritium measurements alone. Indeed, both residence time and storage depth would be expected to be overestimated due to vertical mixing. The estimate of recharge and discharge (0.01 cm d -1) that resulted from tritium modeling therefore is still considered reliable, because the ratio of residence time and storage depth (used to calculated recharge and discharge) is much less sensitive to vertical mixing compared with residence time alone. We conclude that a small but potentially significant component of flow through the Everglades is recharged to the aquifer and stored there for years to decades before discharged back to surface water. Long-term storage of water and solutes in the ground-water system beneath the wetlands has implications for restoration of Everglades water quality.

The effect of interactions between a bacterial strain isolated from drinking water and a pathogen surrogate on biofilms formation diverged under static vs flow conditions.

PubMed

Dai, D; Raskin, L; Xi, C

2017-12-01

Interactions with water bacteria affect the incorporation of pathogens into biofilms and thus pathogen control in drinking water systems. This study was to examine the impact of static vs flow conditions on interactions between a pathogen and a water bacterium on pathogen biofilm formation under laboratory settings. A pathogen surrogate Escherichia coli and a drinking water isolate Stenotrophomonas maltophilia was selected for this study. Biofilm growth was examined under two distinct conditions, in flow cells with continuous medium supply vs in static microtitre plates with batch culture. E. coli biofilm was greatly stimulated (c. 2-1000 times faster) with the presence of S. maltophilia in flow cells, but surprisingly inhibited (c. 65-95% less biomass) in microtitre plates. These divergent effects were explained through various aspects including surface attachment, cellular growth, extracellular signals and autoaggregation. Interactions with the same water bacterium resulted in different effects on E. coli biofilm formation when culture conditions changed from static to flow. This study highlights the complexity of species interactions on biofilm formation and suggests that environmental conditions such as the flow regime can be taken into consideration for the management of microbial contamination in drinking water systems. © 2017 The Society for Applied Microbiology.

Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

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

Tan, Ming-Liang; Te, Jerez; Cendagorta, Joseph R.

2015-02-14

The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol V{sub E} as a function of ethanol mole fraction X{sub E} is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decreasemore » is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has “brittle” hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water.« less

Hierarchical organization of eglin c native state dynamics is shaped by competing direct and water-mediated interactions.

PubMed

Materese, Christopher Kroboth; Goldmon, Christa Charisse; Papoian, Garegin A

2008-08-05

The native state dynamics of the small globular serine protease inhibitor eglin c has been studied in a long 336 ns computer simulation in explicit solvent. We have elucidated the energy landscape explored during the course of the simulation by using Principal Component Analysis. We observe several basins in the energy landscape in which the system lingers for extended periods. Through an iterative process we have generated a tree-like hierarchy of states describing the observed dynamics. We observe a range of divergent contact types including salt bridges, hydrogen bonds, hydrophilic interactions, and hydrophobic interactions, pointing to the frustration between competing interactions. Additionally, we find evidence of competing water-mediated interactions. Divergence in water-mediated interactions may be found to supplement existing direct contacts, but they are also found to be independent of such changes. Water-mediated contacts facilitate interactions between residues of like charge as observed in the simulation. Our results provide insight into the complexity of the dynamic native state of a globular protein and directly probe the residual frustration in the native state.

Gas-fired duplex free-piston Stirling refrigerator

NASA Astrophysics Data System (ADS)

Urieli, L.

1984-03-01

The duplex free-piston Stirling refrigerator is a potentially high efficiency, high reliability device which is ideally suited to the home appliance field, in particular as a gas-fired refrigerator. It has significant advantages over other equivalent devices including freedom from halogenated hydrocarbons, extremely low temperatures available at a high efficiency, integrated water heating, and simple burner system control. The design and development of a portable working demonstration gas-fired duplex Stirling refrigeration unit is described. A unique combination of computer aided development and experimental development was used, enabling a continued interaction between the theoretical analysis and practical testing and evaluation. A universal test rig was developed in order to separately test and evaluate major subunits, enabling a smooth system integration phase.

Plant-microbe interaction in aquatic system and their role in the management of water quality: a review

NASA Astrophysics Data System (ADS)

Srivastava, Jatin K.; Chandra, Harish; Kalra, Swinder J. S.; Mishra, Pratibha; Khan, Hena; Yadav, Poonam

2017-06-01

Microbial assemblage as biofilm around the aquatic plant forms a firm association that largely depends upon the mutual supplies of nutrients, e.g., microbes interact with plants in an aquatic system most likely for organic carbon and oxygen, whereas plants receive defensive immunity and mineral exchange. Apart from the mutual benefits, plant-microbe interactions also influence the water quality especially at rhizosphere providing inherent ability to the aquatic system for the mitigation of pollution from the water column. The review presents and in-depth information along with certain research advancements made in the field of ecological and bio/chemical aspects of plant-microbe interactions and the underlying potential to improve water quality.

Investigation of Groundwater Response to Climate Change in an Agriculturally Dominated Watershed of the Great Lakes Basin

NASA Astrophysics Data System (ADS)

Persaud, E.; Levison, J.; MacRitchie, S.

2017-12-01

An understanding of temporal and spatial variations in groundwater response to conditions of changing climate is necessary to assess potential impacts on ecological functioning and human activities within a watershed. In particular, long term monitoring and site characterization studies can play an important role in the development of improved water management practices and the identification of potential climate change adaptation strategies. This research aims to provide an improved understanding of the physical cycling of groundwater, including surface water interactions, in a setting that is typical to that encountered in the Great Lakes Basin. The area of interest for this study is the Upper Parkhill Watershed in southwestern Ontario, Canada (jurisdiction of the Ausable-Bayfield Conservation Authority). This agriculturally dominated watershed, with surficial deposits of predominantly low permeability till, features an Integrated Water and Climate Monitoring Station on Parkhill Creek which has been collecting continuous data since 2012 describing meteorological conditions, surface water, groundwater, and soil properties (e.g. soil moisture, groundwater levels, and surface water stage/discharge etc.). Additional site characterization activities include hydraulic testing (e.g. slug tests and in-stream seepage meter testing), pedological studies as well as water sampling of natural groundwater tracers (electrical conductivity and 222-Radon), stable isotopes (18O and 2H), and tritium to identify locations of groundwater inflow and to examine water origin and age, respectively. The collected data will be used to develop an improved hydrogeological conceptual model and assess groundwater dynamics in relation to historical and potential future climate variability (e.g. sensitivity of groundwater recharge to temperature, timing and amount of precipitation, and evapotranspiration). It is anticipated that watershed similarities, such as those related to geology and land use, will allow outcomes of this investigation to be transferrable to other regions in the province undergoing similar stresses.

Predator Cue and Prey Density Interactively Influence Indirect Effects on Basal Resources in Intertidal Oyster Reefs

PubMed Central

Hughes, A. Randall; Rooker, Kelly; Murdock, Meagan; Kimbro, David L.

2012-01-01

Predators can influence prey abundance and traits by direct consumption, as well as by non-consumptive effects of visual, olfactory, or tactile cues. The strength of these non-consumptive effects (NCEs) can be influenced by a variety of factors, including predator foraging mode, temporal variation in predator cues, and the density of competing prey. Testing the relative importance of these factors for determining NCEs is critical to our understanding of predator-prey interactions in a variety of settings. We addressed this knowledge gap by conducting two mesocosm experiments in a tri-trophic intertidal oyster reef food web. More specifically, we tested how a predatory fish (hardhead catfish, Ariopsis felis) directly influenced their prey (mud crabs, Panopeus spp.) and indirectly affected basal resources (juvenile oysters, Crassostrea virginica), as well as whether these direct and indirect effects changed across a density gradient of competing prey. Per capita crab foraging rates were inversely influenced by crab density, but they were not affected by water-borne predator cues. As a result, direct consumptive effects on prey foraging rates were stronger than non-consumptive effects. In contrast, predator cue and crab density interactively influenced indirect predator effects on oyster mortality in two experiments, with trait-mediated and density-mediated effects of similar magnitude operating to enhance oyster abundance. Consistent differences between a variable predator cue environment and other predator cue treatments (no cue and constant cue) suggests that an understanding of the natural risk environment experienced by prey is critical to testing and interpreting trait-mediated indirect interactions. Further, the prey response to the risk environment may be highly dependent on prey density, particularly in prey populations with strong intra-specific interactions. PMID:22970316

Critical Dipole Length for the Wetting Transition Due to Collective Water-dipoles Interactions

PubMed Central

Wang, Chunlei; Zhou, Bo; Tu, Yusong; Duan, Manyi; Xiu, Peng; Li, Jingye; Fang, Haiping

2012-01-01

The wetting behavior of water on the solid surfaces is fundamental to various physical, chemical and biological processes. Conventionally, the surface with charges or charge dipoles is hydrophilic, whereas the non-polar surface is hydrophobic though some exceptions were recently reported. Using molecular dynamics simulations, we show that there is a critical length of the charge dipoles on the solid surface. The solid surface still exhibited hydrophobic behavior when the dipole length was less than the critical value, indicating that the water molecules on the solid surface seemed not “feel” attractive interactions from the charge dipoles on the solid surface. Those unexpected observations result from the collective interactions between the water molecules and charge dipoles on the solid surface, where the steric exclusion effect between water molecules greatly reduces the water-dipole interactions. Remarkably, the steric exclusion effect is also important for surfaces with charge dipole lengths greater than this critical length. PMID:22496954

Study on of Seepage Flow Velocity in Sand Layer Profile as Affected by Water Depth and Slope Gradience

NASA Astrophysics Data System (ADS)

Han, Z.; Chen, X.

2017-12-01

BACKGROUND: The subsurface water flow velocity is of great significance in understanding the hydrodynamic characteristics of soil seepage and the influence of interaction between seepage flow and surface runoff on the soil erosion and sediment transport process. OBJECTIVE: To propose a visualized method and equipment for determining the seepage flow velocity and measuring the actual flow velocity and Darcy velocity as well as the relationship between them.METHOD: A transparent organic glass tank is used as the test soil tank, the white river sand is used as the seepage test material and the fluorescent dye is used as the indicator for tracing water flow, so as to determine the thickness and velocity of water flow in a visualized way. Water is supplied at the same flow rate (0.84 L h-1) to the three parts with an interval of 1m at the bottom of the soil tank and the pore water velocity and the thickness of each water layer are determined under four gradient conditions. The Darcy velocity of each layer is calculated according to the water supply flow and the discharge section area. The effective discharge flow pore is estimated according to the moisture content and porosity and then the relationship between Darcy velocity and the measured velocity is calculated based on the water supply flow and the water layer thickness, and finally the correctness of the calculation results is verified. RESULTS: According to the velocity calculation results, Darcy velocity increases significantly with the increase of gradient; in the sand layer profile, the flow velocity of pore water at different depths increases with the increase of gradient; under the condition of the same gradient, the lower sand layer has the maximum flow velocity of pore water. The air-filled porosity of sand layer determines the proportional relationship between Darcy velocity and pore flow velocity. CONCLUSIONS: The actual flow velocity and Darcy velocity can be measured by a visualized method and the relationship between Darcy velocity and pore velocity can be expressed well by the air-filled porosity of sand layer. The flow velocity measurement and test method adopted in the research is effective and feasible. IMPLICATIONS: The visualized flow velocity measurement method can be applied to simulate and measure the characteristics of subsurface water flow in the soil.

Surface-Water and Ground-Water Interactions in the Central Everglades, Florida

USGS Publications Warehouse

Harvey, Judson W.; Newlin, Jessica T.; Krest, James M.; Choi, Jungyill; Nemeth, Eric A.; Krupa, Steven L.

2004-01-01

Recharge and discharge are hydrological processes that cause Everglades surface water to be exchanged for subsurface water in the peat soil and the underlying sand and limestone aquifer. These interactions are thought to be important to water budgets, water quality, and ecology in the Everglades. Nonetheless, relatively few studies of surface water and ground water interactions have been conducted in the Everglades, especially in its vast interior areas. This report is a product of a cooperative investigation conducted by the USGS and the South Florida Water Management District (SFWMD) aimed at developing and testing techniques that would provide reliable estimates of recharge and discharge in interior areas of WCA-2A (Water Conservation Area 2A) and several other sites in the central Everglades. The new techniques quantified flow from surface water to the subsurface (recharge) and the opposite (discharge) using (1) Darcy-flux calculations based on measured vertical gradients in hydraulic head and hydraulic conductivity of peat; (2) modeling transport through peat and decay of the naturally occurring isotopes 224Ra and 223Ra (with half-lives of 4 and 11 days, respectively); and (3) modeling transport and decay of naturally occurring and 'bomb-pulse' tritium (half-life of 12.4 years) in ground water. Advantages and disadvantages of each method for quantifying recharge and discharge were compared. In addition, spatial and temporal variability of recharge and discharge were evaluated and controlling factors identified. A final goal was to develop appropriately simplified (that is, time averaged) expressions of the results that will be useful in addressing a broad range of hydrological and ecological problems in the Everglades. Results were compared with existing information about water budgets from the South Florida Water Management Model (SFWMM), a principal tool used by the South Florida Water Management District to plan many of the hydrological aspects of the Everglades restoration. A century of water management for flood control and water storage in the Everglades resulted in the creation of the Water Conservation Areas (WCAs). Construction of the major canals began in the 1910s and the systems of levees that enclose the basins and structures that move water between basins were largely completed by the 1950s. The abandoned wetlands that remained outside of the Water Conservation areas tended to dry out and subside by 10 feet or more, which created abrupt transitions in land-surface elevations and water levels across the levees. The increases in topographic and hydraulic gradients near the margins of the WCAs, along with rapid pumping of water between basins to achieve management objectives, have together altered the patterns of recharge and discharge in the Everglades. The most evident change is the increase in the magnitude of recharge (on the upgradient side) and discharge (on the downgradient side) of levees separating WCA-2A from other basins or areas outside. Recharge and discharge in the vast interior of WCA-2A also likely have increased, but fluxes in the interior wetlands are more subtle and more difficult to quantify compared with areas close to the levees. Surface-water and ground-water interactions differ in fundamental ways between wetlands near WCA-2A's boundaries and wetlands in the basin's interior. The levees that form the WCA's boundaries have introduced step functions in the topographic and hydraulic gradients that are important as a force to drive water flow across the wetland ground surface. The resulting recharge and discharge fluxes tend to be unidirectional (connecting points of recharge on the upgradient side of the levee with points of discharge on the downgradient side), and fluxes are also relatively steady in magnitude compared with fluxes in the interior. Recharge flow paths are also relatively deep in their extent near levees, with fluxes passing entirely through the 1-m peat layer and inte

Impact of fluid-rock chemical interactions on tracer transport in fractured rocks.

PubMed

Mukhopadhyay, Sumit; Liu, H-H; Spycher, N; Kennedy, B M

2013-11-01

In this paper, we investigate the impact of chemical interactions, in the form of mineral precipitation and dissolution reactions, on tracer transport in fractured rocks. When a tracer is introduced in fractured rocks, it moves through the fracture primarily by advection and it also enters the stagnant water of the surrounding rock matrix through diffusion. Inside the porous rock matrix, the tracer chemically interacts with the solid materials of the rock, where it can precipitate depending on the local equilibrium conditions. Alternatively, it can be dissolved from the solid phase of the rock matrix into the matrix pore water, diffuse into the flowing fluids of the fracture and is advected out of it. We show that such chemical interactions between the fluid and solid phases have significant impact on tracer transport in fractured rocks. We invoke the dual-porosity conceptualization to represent the fractured rocks and develop a semi-analytical solution to describe the transient transport of tracers in interacting fluid-rock systems. To test the accuracy and stability of the semi-analytical solution, we compare it with simulation results obtained with the TOUGHREACT simulator. We observe that, in a chemically interacting system, the tracer breakthrough curve exhibits a pseudo-steady state, where the tracer concentration remains more or less constant over a finite period of time. Such a pseudo-steady condition is not observed in a non-reactive fluid-rock system. We show that the duration of the pseudo-state depends on the physical and chemical parameters of the system, and can be exploited to extract information about the fractured rock system, such as the fracture spacing and fracture-matrix interface area. © 2013.

The Mechanisms of Water Exchange: The Regulatory Roles of Multiple Interactions in Social Wasps.

PubMed

Agrawal, Devanshu; Karsai, Istvan

2016-01-01

Evolutionary benefits of task fidelity and improving information acquisition via multiple transfers of materials between individuals in a task partitioned system have been shown before, but in this paper we provide a mechanistic explanation of these phenomena. Using a simple mathematical model describing the individual interactions of the wasps, we explain the functioning of the common stomach, an information center, which governs construction behavior and task change. Our central hypothesis is a symmetry between foragers who deposit water and foragers who withdraw water into and out of the common stomach. We combine this with a trade-off between acceptance and resistance to water transfer. We ultimately derive a mathematical function that relates the number of interactions that foragers complete with common stomach wasps during a foraging cycle. We use field data and additional model assumptions to calculate values of our model parameters, and we use these to explain why the fullness of the common stomach stabilizes just below 50 percent, why the average number of successful interactions between foragers and the wasps forming the common stomach is between 5 and 7, and why there is a variation in this number of interactions over time. Our explanation is that our proposed water exchange mechanism places natural bounds on the number of successful interactions possible, water exchange is set to optimize mediation of water through the common stomach, and the chance that foragers abort their task prematurely is very low.

The Mechanisms of Water Exchange: The Regulatory Roles of Multiple Interactions in Social Wasps

PubMed Central

Agrawal, Devanshu; Karsai, Istvan

2016-01-01

Evolutionary benefits of task fidelity and improving information acquisition via multiple transfers of materials between individuals in a task partitioned system have been shown before, but in this paper we provide a mechanistic explanation of these phenomena. Using a simple mathematical model describing the individual interactions of the wasps, we explain the functioning of the common stomach, an information center, which governs construction behavior and task change. Our central hypothesis is a symmetry between foragers who deposit water and foragers who withdraw water into and out of the common stomach. We combine this with a trade-off between acceptance and resistance to water transfer. We ultimately derive a mathematical function that relates the number of interactions that foragers complete with common stomach wasps during a foraging cycle. We use field data and additional model assumptions to calculate values of our model parameters, and we use these to explain why the fullness of the common stomach stabilizes just below 50 percent, why the average number of successful interactions between foragers and the wasps forming the common stomach is between 5 and 7, and why there is a variation in this number of interactions over time. Our explanation is that our proposed water exchange mechanism places natural bounds on the number of successful interactions possible, water exchange is set to optimize mediation of water through the common stomach, and the chance that foragers abort their task prematurely is very low. PMID:26751076

Review: Water-rock interactions and related eco-environmental effects in typical land subsidence zones of China

NASA Astrophysics Data System (ADS)

Ma, Teng; Du, Yao; Ma, Rui; Xiao, Cong; Liu, Yanjun

2018-01-01

Land subsidence is common in some regions of China. Various eco-environmental problems have arisen due to changes in water-rock interactions in these subsided areas, for which a comprehensive understanding of the hydrogeological setting is needed. This paper presents the general status of land subsidence in three typical subsided areas of China through the compilation of relevant data, and reviews some typical changes in the water-rock interactions in subsided areas along with related eco-environmental issues. It is found that the subsidence development and distribution are controlled by the groundwater-withdrawal intensity externally, and by the thickness and compressibility of unconsolidated sediments internally. The physical changes and related effects of water-rock interactions in subsided areas include: (1) the decreased ground elevation that caused floods, waterlogged farmland, etc.; (2) the differential subsidence that caused ground fissures; and (3) the change of seepage field that caused substantial reduction of the water resource. Chemically, the changes and related effects of water-rock interactions include: (1) the change to the chemical environment or processes due to the hydrogeologic structure alteration, which caused groundwater pollution; and (2) hydrologic mixing (seawater intrusion, artificial recharge; exchange with adjacent aquifers or aquitards), which degraded the groundwater quality. Further research on the subsided areas in China is suggested to reveal the mechanisms regarding biological and gaseous (meteorological) changes from the perspective of interacting systems among water, rocks, biological agents and gases.

Hydration water and bulk water in proteins have distinct properties in radial distributions calculated from 105 atomic resolution crystal structures.

PubMed

Chen, Xianfeng; Weber, Irene; Harrison, Robert W

2008-09-25

Water plays a critical role in the structure and function of proteins, although the experimental properties of water around protein structures are not well understood. The water can be classified by the separation from the protein surface into bulk water and hydration water. Hydration water interacts closely with the protein and contributes to protein folding, stability, and dynamics, as well as interacting with the bulk water. Water potential functions are often parametrized to fit bulk water properties because of the limited experimental data for hydration water. Therefore, the structural and energetic properties of the hydration water were assessed for 105 atomic resolution (

Dynamic ion-ion and water-ion interactions in ion channels.

PubMed Central

Wu, J V

1992-01-01

The dynamic interactions among ions and water molecules in ion channels are treated based on an assumption that ions at binding sites can be knocked off by both transient entering ions and local water molecules. The theory, when applied to a single-site model K+ channel, provides solutions for super- and subsaturations, flux-ratio exponent (n') greater than 1, osmotic streaming current, activity-dependent reversal potentials, and anomalous mole-fraction behavior. The analysis predicts that: (a) the saturation may but, in general, does not follow the Michaelis-Menten relation; (b) streaming current results from imbalanced water-ion knock-off interactions; (c) n' greater than 1 even for single-site channels, but it is unlikely to exceed 1.4 unless the pore is occupied by one or more ion(s); (d) in the calculation involving two permeant ion species with similar radii, the heavier ions show higher affinity; the ion-ion knock-off dissociation from the site is more effective when two interacting ions are identical. Therefore, the "multi-ion behaviors" found in most ion channels are the consequences of dynamic ion-ion and water-ion interactions. The presence of these interactions does not require two or more binding sites in channels. PMID:1376158

Interaction of surface water and groundwater in the Nile River basin: isotopic and piezometric evidence

NASA Astrophysics Data System (ADS)

Kebede, Seifu; Abdalla, Osman; Sefelnasr, Ahmed; Tindimugaya, Callist; Mustafa, Osman

2017-05-01

Past discussions around water-resources management and development in the River Nile basin disregard groundwater resources from the equation. There is an increasing interest around factoring the groundwater resources as an integral part of the Nile Basin water resources. This is hampered by knowledge gap regarding the groundwater resources dynamics (recharge, storage, flow, quality, surface-water/groundwater interaction) at basin scale. This report provides a comprehensive analysis of the state of surface-water/groundwater interaction from the headwater to the Nile Delta region. Piezometric and isotopic (δ18O, δ2H) evidence reveal that the Nile changes from a gaining stream in the headwater regions to mostly a loosing stream in the arid lowlands of Sudan and Egypt. Specific zones of Nile water leakage to the adjacent aquifers is mapped using the two sources of evidence. Up to 50% of the surface-water flow in the equatorial region of the Nile comes from groundwater as base flow. The evidence also shows that the natural direction and rate of surface-water/groundwater interaction is largely perturbed by human activities (diversion, dam construction) particularly downstream of the Aswan High Dam in Egypt. The decrease in discharge of the Nile River along its course is attributed to leakage to the aquifers as well as to evaporative water loss from the river channel. The surface-water/groundwater interaction occurring along the Nile River and its sensitivity to infrastructure development calls for management strategies that account groundwater as an integral part of the Nile Basin resources.

A quantitative analysis of hydraulic interaction processes in stream-aquifer systems

PubMed Central

Wang, Wenke; Dai, Zhenxue; Zhao, Yaqian; Li, Junting; Duan, Lei; Wang, Zhoufeng; Zhu, Lin

2016-01-01

The hydraulic relationship between the stream and aquifer can be altered from hydraulic connection to disconnection when the pumping rate exceeds the maximum seepage flux of the streambed. This study proposes to quantitatively analyze the physical processes of stream-aquifer systems from connection to disconnection. A free water table equation is adopted to clarify under what conditions a stream starts to separate hydraulically from an aquifer. Both the theoretical analysis and laboratory tests have demonstrated that the hydraulic connectedness of the stream-aquifer system can reach a critical disconnection state when the horizontal hydraulic gradient at the free water surface is equal to zero and the vertical is equal to 1. A boundary-value problem for movement of the critical point of disconnection is established for an analytical solution of the inverted water table movement beneath the stream. The result indicates that the maximum distance or thickness of the inverted water table is equal to the water depth in the stream, and at a steady state of disconnection, the maximum hydraulic gradient at the streambed center is 2. This study helps us to understand the hydraulic phenomena of water flow near streams and accurately assess surface water and groundwater resources. PMID:26818442

Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions

NASA Astrophysics Data System (ADS)

Miceli, Giacomo; de Gironcoli, Stefano; Pasquarello, Alfredo

2015-01-01

We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers the advantage of simulating liquid water at essentially the same computational cost of standard semilocal functionals. Applied to the water dimer and to ice Ih, we find that the hydrogen-bond energy is only slightly enhanced compared to a standard semilocal functional. We simulate liquid water through molecular dynamics in the NpH statistical ensemble allowing for fluctuations of the system density. The structure of the liquid departs from that found with a semilocal functional leading to more compact structural arrangements. This indicates that the directionality of the hydrogen-bond interaction has a diminished role as compared to the overall attractions, as expected when dispersion interactions are accounted for. This is substantiated through a detailed analysis comprising the study of the partial radial distribution functions, various local order indices, the hydrogen-bond network, and the selfdiffusion coefficient. The explicit treatment of the van der Waals interactions leads to an overall improved description of liquid water.

Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy.

PubMed

Chaimovich, Aviel; Shell, M Scott

2009-03-28

Recent efforts have attempted to understand many of liquid water's anomalous properties in terms of effective spherically-symmetric pairwise molecular interactions entailing two characteristic length scales (so-called "core-softened" potentials). In this work, we examine the extent to which such simple descriptions of water are representative of the true underlying interactions by extracting coarse-grained potential functions that are optimized to reproduce the behavior of an all-atom model. To perform this optimization, we use a novel procedure based upon minimizing the relative entropy, a quantity that measures the extent to which a coarse-grained configurational ensemble overlaps with a reference all-atom one. We show that the optimized spherically-symmetric water models exhibit notable variations with the state conditions at which they were optimized, reflecting in particular the shifting accessibility of networked hydrogen bonding interactions. Moreover, we find that water's density and diffusivity anomalies are only reproduced when the effective coarse-grained potentials are allowed to vary with state. Our results therefore suggest that no state-independent spherically-symmetric potential can fully capture the interactions responsible for water's unique behavior; rather, the particular way in which the effective interactions vary with temperature and density contributes significantly to anomalous properties.

Investigation of effects of temperature, salinity, and electrode design on the performance of an electrochemical coliform detector

NASA Technical Reports Server (NTRS)

Grana, D. C.

1979-01-01

The results of two research programs to determine the optimum detector design for measuring fecal coliforms in saline waters for operational systems are presented. One program was concerned with the effects of temperature and salinity on endpoint response time, and the other, the interaction between electrode configurations and the test organisms. Test results show that the endpoint response time is related to salinity and seawater temperature; however, these results can be minimized by the correct choice of growth media. Electrode configurations were developed from stainless steel, Parlodion-coated stainless steel, and platinum that circumvented problems associated with the commercial redox electrodes.

Development of Molten Corium Using An Exothermic Chemical Reaction for the Molten- Fuel Moderator-Interaction Studies at Chalk River Laboratories

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

Nitheanandan, T.; Sanderson, D.B.; Kyle, G.

2004-07-01

Atomic Energy of Canada Limited (AECL) has partnered with Argonne National Laboratory to develop a corium thermite prototypical of Candu material and test the concept of ejecting {approx}25 kg of the molten material from a pressure tube with a driving pressure of 10 MPa. This development program has been completed and the technology transferred to AECL. Preparation for the molten-fuel moderator-interaction tests at AECL's Chalk River Laboratories is well underway. A mixture of 0.582 U/0.077 U{sub 3}O{sub 8}/0.151 Zr/0.19 CrO{sub 3} (wt%) as reactant chemicals has been demonstrated to produce a corium consisting of 0.73 UO{sub 2}/0.11 Zr/0.06 ZrO{sub 2}/0.10more » Cr (wt%) at {approx}2400 deg. C. This is comparable to the target Candu specific corium of 0.9 UO{sub 2}/0.1 Zr (wt%), with limited oxidation. The peak melt temperature was confirmed from small-scale thermitic reaction tests. Several small-scale tests were completed to qualify the thermite to ensure operational safety and a quantifiable experimental outcome. The proposed molten-fuel moderator-interaction experiments at Chalk River Laboratories will consist of heating the thermite mixture inside a 1.14-m long insulated pressure tube. Once the molten material has reached the desired temperature of {approx}2400 deg. C, the pressure inside the tube will be raised to about 10 MPa, and the pressure tube will fail at a pre-machined flaw, ejecting the molten material into the surrounding tank of water. The test apparatus, instrumentation, data acquisition and control systems have been assembled, and a series of successful commissioning tests have been completed. (authors)« less

Improving the relevance and impact of decision support research: A co-production framework and water management case study

NASA Astrophysics Data System (ADS)

Smith, R.; Kasprzyk, J. R.; Dilling, L.; Basdekas, L.; Kaatz, L.

2016-12-01

In light of the unpredictable effects of climate change and population shifts, responsible resource management will require new types of information and strategies going forward. For water utilities, this means that water supply infrastructure systems must be expanded and/or managed for changes in overall supply and increased extremes. Utilities have begun seeking innovative tools and methods to support planning and decision making, but there are limited channels through which they can gain exposure to emerging tools from the research world, and for researchers to uptake important real-world planning and decision context. A transdisciplinary team of engineers, social and climate scientists, and water managers designed this study to develop and apply a co-production framework which explores the potential of an emerging decision support tool to enhance flexibility and adaptability in water utility planning. It also demonstrates how to improve the link between research and practice in the water sector. In this study we apply the co-production framework to the use of Multiobjective Evolutionary Algorithms (MOEAs). MOEAs have shown promise in being able to generate and evaluate new planning alternatives but they have had little testing or application in water utilities. Anchored by two workshops, this study (1) elicited input from water managers from six water suppliers on the Front Range of Colorado, USA, to create a testbed MOEA application, and (2) evaluated the managers' responses to multiobjective optimization results. The testbed consists of a Front Range-relevant hypothetical water supply model, the Borg MOEA, hydrology and demand scenarios, and a set of planning decisions and performance objectives that drive the link between the algorithm and the model. In this presentation we describe researcher-manager interactions at the initial workshop that served to establish relationships and provide in-depth information to researchers about regional water management context. We also describe the development of, and experiences from, the second workshop which included activities for water managers to interact directly with MOEA testbed results. Finally, we evaluate the co-production framework itself and the potential for the feedback from managers to shape future development of decision support tools.

Hunger and thirst interact to regulate ingestive behavior in flies and mammals.

PubMed

Jourjine, Nicholas

2017-05-01

In animals, nervous systems regulate the ingestion of food and water in a manner that reflects internal metabolic need. While the coordination of these two ingestive behaviors is essential for homeostasis, it has been unclear how internal signals of hunger and thirst interact to effectively coordinate food and water ingestion. In the last year, work in insects and mammals has begun to elucidate some of these interactions. As reviewed here, these studies have identified novel molecular and neural mechanisms that coordinate the regulation of food and water ingestion behaviors. These mechanisms include peptide signals that modulate neural circuits for both thirst and hunger, neurons that regulate both food and water ingestion, and neurons that integrate sensory information about both food and water in the external world. These studies argue that a deeper understanding of hunger and thirst will require closer examination of how these two biological drives interact. © 2017 WILEY Periodicals, Inc.

Frequency of use controls chemical leaching from drinking-water containers subject to disinfection.

PubMed

Andra, Syam S; Makris, Konstantinos C; Shine, James P

2011-12-15

Microbial-, and chemical-based burden of disease associated with lack of access to safe water continues to primarily impact developing countries. Cost-effective health risk-mitigating measures, such as of solar disinfection applied to microbial-contaminated water stored in plastic bottles have been increasingly tested in developing countries adversely impacted by epidemic water-borne diseases. Public health concerns associated with chemical leaching from water packaging materials led us to investigate the magnitude and variability of antimony (Sb) and bromine (Br) leaching from reused plastic containers (polyethylene terephthalate, PET; and polycarbonate, PC) subject to UV and/or temperature-driven disinfection. The overall objective of this study was to determine the main and interactive effects of temperature, UV exposure duration, and frequency of bottle reuse on the extent of leaching of Sb and Br from plastic bottles into water. Regardless of UV exposure duration, frequency of reuse (up to 27 times) was the major factor that linearly increased Sb leaching from PET bottles at all temperatures tested (13-47 °C). Leached Sb concentrations (∼360 ng L(-1)) from the highly reused (27 times) PET bottles (minimal Sb leaching from PC bottles, <15 ng L(-1)) did not pose a serious risk to human health according to current daily Sb acceptable intake estimates. Leached Br concentrations from both PET and PC containers (up to ∼15 μg L(-1)) did not pose a consumer health risk either, however, no acceptable daily dose estimates exist for oral ingestion of organo-brominated, or other plasticizers/additives compounds if they were to be found in bottled water at much lower concentrations. Additional research on potential leaching of organic chemicals from water packaging materials is deemed necessary under relevant environmental conditions. Copyright © 2011 Elsevier Ltd. All rights reserved.

Relation between flower head traits and florivory in Asteraceae: a phylogenetically controlled approach.

PubMed

Oguro, Michio; Sakai, Satoki

2015-03-01

• While much research has examined the relation between leaf traits and herbivory, very little is known about the interaction between floral traits, particularly biochemical traits, and florivory. We investigated patterns between floral traits and florivory across multiple species using phylogenetic comparative approaches to enhance our understanding of the evolution of plant-florivore interactions.• The relation between the intensity of florivory and five biochemical traits (concentrations of carbon, nitrogen, phosphorus, water, and total phenolics) and two morphological traits (diameter and number of flower heads) were investigated in wild individuals of 18 native species of Asteraceae. The phylogenetic signals in the morphological traits and intensity of florivory were also tested.• We found that species with higher nitrogen, water, and total phenolics and lower phosphorus concentrations in the flower heads and species with a large number and diameter of flower heads tended to be attacked by florivores. In addition, we found significant phylogenetic signals in florivory and morphological traits.• Our results clearly show that biochemical traits also play important roles in plant-florivore interactions, as previously shown in plant-leaf herbivore interactions. The positive relationship between florivory and total phenolics implies that phenolic compounds in flower heads may not act as a defense in the species. In addition, the observed pattern of signals in florivory might not be solely explained by the signals of the measured traits and other plant traits may also play significant roles in plant-florivore interaction in these species. © 2015 Botanical Society of America, Inc.

Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins.

PubMed

Mercadante, Davide; Wagner, Johannes A; Aramburu, Iker V; Lemke, Edward A; Gräter, Frauke

2017-09-12

Molecular dynamics (MD) simulations have valuably complemented experiments describing the dynamics of intrinsically disordered proteins (IDPs), particularly since the proposal of models to solve the artificial collapse of IDPs in silico. Such models suggest redefining nonbonded interactions, by either increasing water dispersion forces or adopting the Kirkwood-Buff force field. These approaches yield extended conformers that better comply with experiments, but it is unclear if they all sample the same intrachain dynamics of IDPs. We have tested this by employing MD simulations and single-molecule Förster resonance energy transfer spectroscopy to sample the dimensions of systems with different sequence compositions, namely strong and weak polyelectrolytes. For strong polyelectrolytes in which charge effects dominate, all the proposed solutions equally reproduce the expected ensemble's dimensions. For weak polyelectrolytes, at lower cutoffs, force fields abnormally alter intrachain dynamics, overestimating excluded volume over chain flexibility or reporting no difference between the dynamics of different chains. The TIP4PD water model alone can reproduce experimentally observed changes in extensions (dimensions), but not quantitatively and with only weak statistical significance. Force field limitations are reversed with increased interaction cutoffs, showing that chain dynamics are critically defined by the presence of long-range interactions. Force field analysis aside, our study provides the first insights into how long-range interactions critically define IDP dimensions and raises the question of which length range is crucial to correctly sample the overall dimensions and internal dynamics of the large group of weakly charged yet highly polar IDPs.

Quantifying Wheat Sensitivities to Environmental Constraints to Dissect Genotype × Environment Interactions in the Field.

PubMed

Parent, Boris; Bonneau, Julien; Maphosa, Lance; Kovalchuk, Alex; Langridge, Peter; Fleury, Delphine

2017-07-01

Yield is subject to strong genotype-by-environment (G × E) interactions in the field, especially under abiotic constraints such as soil water deficit (drought [D]) and high temperature (heat [H]). Since environmental conditions show strong fluctuations during the whole crop cycle, geneticists usually do not consider environmental measures as quantitative variables but rather as factors in multienvironment analyses. Based on 11 experiments in a field platform with contrasting temperature and soil water deficit, we determined the periods of sensitivity to drought and heat constraints in wheat ( Triticum aestivum ) and determined the average sensitivities for major yield components. G × E interactions were separated into their underlying components, constitutive genotypic effect (G), G × D, G × H, and G × H × D, and were analyzed for two genotypes, highlighting contrasting responses to heat and drought constraints. We then tested the constitutive and responsive behaviors of two strong quantitative trait loci (QTLs) associated previously with yield components. This analysis confirmed the constitutive effect of the chromosome 1B QTL and explained the G × E interaction of the chromosome 3B QTL by a benefit of one allele when temperature rises. In addition to the method itself, which can be applied to other data sets and populations, this study will support the cloning of a major yield QTL on chromosome 3B that is highly dependent on environmental conditions and for which the climatic interaction is now quantified. © 2017 American Society of Plant Biologists. All Rights Reserved.

Molecular simulations of multimodal ligand-protein binding: elucidation of binding sites and correlation with experiments.

PubMed

Freed, Alexander S; Garde, Shekhar; Cramer, Steven M

2011-11-17

Multimodal chromatography, which employs more than one mode of interaction between ligands and proteins, has been shown to have unique selectivity and high efficacy for protein purification. To test the ability of free solution molecular dynamics (MD) simulations in explicit water to identify binding regions on the protein surface and to shed light on the "pseudo affinity" nature of multimodal interactions, we performed MD simulations of a model protein ubiquitin in aqueous solution of free ligands. Comparisons of MD with NMR spectroscopy of ubiquitin mutants in solutions of free ligands show a good agreement between the two with regard to the preferred binding region on the surface of the protein and several binding sites. MD simulations also identify additional binding sites that were not observed in the NMR experiments. "Bound" ligands were found to be sufficiently flexible and to access a number of favorable conformations, suggesting only a moderate loss of ligand entropy in the "pseudo affinity" binding of these multimodal ligands. Analysis of locations of chemical subunits of the ligand on the protein surface indicated that electrostatic interaction units were located on the periphery of the preferred binding region on the protein. The analysis of the electrostatic potential, the hydrophobicity maps, and the binding of both acetate and benzene probes were used to further study the localization of individual ligand moieties. These results suggest that water-mediated electrostatic interactions help the localization and orientation of the MM ligand to the binding region with additional stability provided by nonspecific hydrophobic interactions.

Deuterium used as artificial tracer in column studies under saturated water flow conditions

NASA Astrophysics Data System (ADS)

Koeniger, P.; Geiges, M.; Leibundgut, Ch.

2003-04-01

In contrast to numerous investigations using deuterium as an environmental tracer, hydrological investigations with deuterium-labelled water are rather rare. Currently applications in groundwater studies are restricted due to increasing costs of spiking large water quantities but an application as intelligent tracer might be of advantage especially in combination with other tracers and under distinct environmental conditions. Therefore deuterium was applied as artificial tracer in column experiments that are well proved as a tool to characterise tracer behaviour in recent studies. Deuterium was tested in comparison to the more familiar conservative tracer fluorescein. Varying experimental conditions, e.g. column length (0.5, 1.0, 1.5 m), initial tracer concentration (0.01, 0.02, 0.2 mg) and flow velocity (1.5 to 6.0 m/d) were used to investigate tracer behaviour under saturated water flow conditions. Deuterium was analysed using an H/Device with chrome reduction connected to an isotope ratio mass spectrometer and expressed in relative concentrations [per mill V-SMOW]. Theoretical tracer breakthrough curves were calculated using a one dimensional dispersion model. The results indicate higher mean transport velocities and smaller dispersion for deuterium in all experiments. Due to different molecule properties that also determine the interaction of soil substrate and tracer, deuterium indicates a more conservative transport behaviour. Deuterium is non-toxic, completely soluble, chemically and biologically stable and not subject to light-influenced decay. Furthermore, it shows promise for investigations of water flow in the unsaturated zone, and of interactions of water in soil-plant-atmosphere systems. A further discussion of problems, together with possibilities for applying deuterium as an artificial tracer, will be presented.