WorldWideScience

Sample records for surface acid sites

  1. Acidity of edge surface sites of montmorillonite and kaolinite

    Science.gov (United States)

    Liu, Xiandong; Lu, Xiancai; Sprik, Michiel; Cheng, Jun; Meijer, Evert Jan; Wang, Rucheng

    2013-09-01

    Acid-base chemistry of clay minerals is central to their interfacial properties, but up to now a quantitative understanding on the surface acidity is still lacking. In this study, with first principles molecular dynamics (FPMD) based vertical energy gap technique, we calculate the acidity constants of surface groups on (0 1 0)-type edges of montmorillonite and kaolinite, which are representatives of 2:1 and 1:1-type clay minerals, respectively. It shows that tbnd Si-OH and tbnd Al-OH2OH groups of kaolinite have pKas of 6.9 and 5.7 and those of montmorillonite have pKas of 7.0 and 8.3, respectively. For each mineral, the calculated pKas are consistent with the experimental ranges derived from fittings of titration curves, indicating that tbnd Si-OH and tbnd Al-OH2OH groups are the major acidic sites responsible to pH-dependent experimental observations. The effect of Mg substitution in montmorillonite is investigated and it is found that Mg substitution increases the pKas of the neighboring tbnd Si-OH and tbnd Si-OH2 groups by 2-3 pKa units. Furthermore, our calculation shows that the pKa of edge tbnd Mg-(OH2)2 is as high as 13.2, indicating the protonated state dominates under common pH. Together with previous adsorption experiments, our derived acidity constants suggest that tbnd Si-O- and tbnd Al-(OH)2 groups are the most probable edge sites for complexing heavy metal cations.

  2. The hydroxyl species and acid sites on diatomite surface: a combined IR and Raman study

    Science.gov (United States)

    Yuan, P.; Wu, D. Q.; He, H. P.; Lin, Z. Y.

    2004-04-01

    Diffuse reflectance infrared Fourier transform spectroscopy (DRIFT), Raman spectroscopy of adsorbed pyridine molecules (Py-Raman) and in situ Py-IR have been used to investigate the hydroxyl species and acid sites on diatomite surfaces. The Lewis (L) and Brønsted (B) acid sites, and various hydroxyl species, including isolated hydroxyl groups, H-bonded hydroxyl groups and physically adsorbed water, are identified. The L acid sites in diatomite samples are resulted from the clay impurities, and the B acid sites are resulted from some moderate strength H-bonded hydroxyl groups. At room temperature, both of the isolated and H-bonded silanols associate with the physically adsorbed water by hydrogen bond. After calcination treatment, physically adsorbed water will be desorbed from the silanols, and the silanols will condense with the increase of temperature. Generally, the H-bonded silanols condense more easily than the isolated ones. The properties of surface hydroxyl species of diatomaceous silica are more similar to precipitated silica rather than fumed silica.

  3. Influence of porous texture and surface chemistry on the CO₂ adsorption capacity of porous carbons: acidic and basic site interactions.

    Science.gov (United States)

    Sánchez-Sánchez, Angela; Suárez-García, Fabián; Martínez-Alonso, Amelia; Tascón, Juan M D

    2014-12-10

    Doped porous carbons exhibiting highly developed porosity and rich surface chemistry have been prepared and subsequently applied to clarify the influence of both factors on carbon dioxide capture. Nanocasting was selected as synthetic route, in which a polyaramide precursor (3-aminobenzoic acid) was thermally polymerized inside the porosity of an SBA-15 template in the presence of different H3PO4 concentrations. The surface chemistry and the porous texture of the carbons could be easily modulated by varying the H3PO4 concentration and carbonization temperature. Porous texture was found to be the determinant factor on carbon dioxide adsorption at 0 °C, while surface chemistry played an important role at higher adsorption temperatures. We proved that nitrogen functionalities acted as basic sites and oxygen and phosphorus groups as acidic ones toward adsorption of CO2 molecules. Among the nitrogen functional groups, pyrrolic groups exhibited the highest influence, while the positive effect of pyridinic and quaternary functionalities was smaller. Finally, some of these N-doped carbons exhibit CO2 heats of adsorption higher than 42 kJ/mol, which make them excellent candidates for CO2 capture.

  4. NH{sub 3} adsorption on the Lewis and Bronsted acid sites of MoO{sub 3} (0 1 0) surface: A cluster DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Zhifeng [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Fan, Junyan [Foundation Department, Shanxi Police Academy, No. 27 Second Section of Old Jinci Road, Taiyuan 030021, Shanxi (China); Zuo, Zhijun [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Li, Zhe, E-mail: lizhe@tyut.edu.cn [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zhang, Jinshan [College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

    2014-01-01

    The adsorption of NH{sub 3} on the Lewis and Bronsted acid sites of MoO{sub 3} (0 1 0) surface has been investigated based on the density functional theory (DFT) method using the clusters models. The calculated results indicate that NH{sub 3} could strongly adsorb on both the Lewis and Bronsted acid sites in the form of NH{sub 3} species and NH{sub 4}{sup +} respectively, whereas the adsorption on the Lewis acid site is found to be more favorable energetically than that on the Bronsted acid site. For the Lewis acid site Mulliken population analysis shows a donation of lone pairs from NH{sub 3} to the surface and activation of N–H bond. The overlaps of N-s, N-p and Mo-d orbitals suggest the strong interaction between N and Mo atoms. For the Bronsted acid site N–H bond is also activated by the formation of NH{sub 4}{sup +} species. The hybridizations between H and O atoms as well as N and H atoms are the major reasons for strong chemical adsorption of NH{sub 3} and the existence of NH{sub 4}{sup +} species, which partly attributed to the presence of N–H… O hydrogen bonds. Furthermore, the formation of a second Lewis acid site at adjacent or diagonal site results in slight changes of adsorption stability, structural changes and charge redistributions, suggesting its small influence on NH{sub 3} adsorption.

  5. Periodic DFT study of acidic trace atmospheric gas molecule adsorption on Ca- and Fe-doped MgO(001) surface basic sites.

    Science.gov (United States)

    Baltrusaitis, Jonas; Hatch, Courtney; Orlando, Roberto

    2012-08-02

    The electronic properties of undoped and Ca- or Fe-doped MgO(001) surfaces, as well as their propensity toward atmospheric acidic gas (CO2, SO2, and NO2) uptake was investigated with an emphasis on gas adsorption on the basic MgO oxygen surface sites, O(surf), using periodic density functional theory (DFT) calculations. Adsorption energy calculations show that MgO doping will provide stronger interactions of the adsorbate with the O(surf) sites than the undoped MgO for a given adsorbate molecule. Charge transfer from the iron atom in Fe-doped MgO(001) to NO2 was shown to increase the binding interaction between adsorbate by an order of magnitude, when compared to that of undoped and Ca-doped MgO(001) surfaces. Secondary binding interactions of adsorbate oxygen atoms were observed with surface magnesium sites at distances close to those of the Mg-O bond within the crystal. These interactions may serve as a preliminary step for adsorption and facilitate further adsorbate transformations into other binding configurations. Impacts on global atmospheric chemistry are discussed as these adsorption phenomena can affect atmospheric gas budgets via altered partitioning and retention on mineral aerosol surfaces.

  6. Hanford Site surface environmental surveillance

    International Nuclear Information System (INIS)

    Dirkes, R.L.

    1998-01-01

    Environmental surveillance of the Hanford Site and the surrounding region is conducted to demonstrate compliance with environmental regulations, confirm adherence to US Department of Energy (DOE) environmental protection policies, support DOE environmental management decisions, and provide information to the public. The Surface Environmental Surveillance Project (SESP) is a multimedia environmental monitoring program conducted to measure the concentrations of radionuclides and chemical contaminants in the environment and assess the integrated effects of these contaminants on the environment and the public. The monitoring program includes sampling air, surface water, sediments, soil, natural vegetation, agricultural products, fish, and wildlife. Functional elements inherent in the operation of the SESP include project management, quality assurance/control, training, records management, environmental sampling network design and implementation, sample collection, sample analysis, data management, data review and evaluation, exposure assessment, and reporting. The SESP focuses on those contaminant/media combinations calculated to have the highest potential for contributing to off-site exposure. Results of the SESP indicate that contaminant concentrations in the Hanford environs are very low, generally below environmental standards, at or below analytical detection levels, and indicative of environmental levels. However, areas of elevated contaminant concentrations have been identified at Hanford. The extent of these areas is generally limited to past operating areas and waste disposal sites

  7. Acid-base characteristics of powdered-activated-carbon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Reed, B.E. (West Virginia Univ., Morgantown (United States)); Jensen, J.N.; Matsumoto, M.R. (State Univ. of New York, Buffalo (United States))

    Adsorption of heavy metals onto activated carbon has been described using the surface-complex-formation (SCF) model, a chemical equilibrium model. The SCF model requires a knowledge of the amphoteric nature of activated carbon prior to metal adsorption modeling. In the past, a single-diprotic-acid-site model had been employed to describe the amphoteric nature of activated-carbon surfaces. During this study, the amphoteric nature of two powdered activated carbons were investigated, and a three-monoprotic site surface model was found to be a plausible alternative. The single-diprotic-acid-site and two-monoprotic-site models did not describe the acid-base behavior of the two carbons studied adequately. The two-diprotic site was acceptable for only one of the study carbons. The acid-base behavior of activated carbon surfaces seem to be best modeled as a series of weak monoprotic acids.

  8. Effect of Number of Various-Type Acid Sites Located on 20 % Co/ZrO2 • SiO2 Sample Surface on Parameters of Catalytic Process in Synthesis of High-Octane Motor Fuel Components

    Directory of Open Access Journals (Sweden)

    A. P. Nesenchouk

    2011-01-01

    Full Text Available The paper considers an effect of ZrO2 content in 20%Co/xZrO2∙(100 – xSiO2 (x = 0, 10, 15, 25, 30, 40 and 100 mass percent catalyst carriers on their catalytic properties. Temperature programmed desorption of NH3 has made it possible to determine relations between their acid and catalytic properties. The paper reveals the TPD spectrum is the result of 4 overlapping peaks originating during NH3 desorption from the respective groups of acid sites. Total acidity of samples and contribution of separate acid site groups into the given acidity have been have been determined in the paper. The paper contains graphical dependences of a various-type acid site number on  content of zirconium oxide in the carrier. Correlations between change in various-type acid site number and catalytic process parameters (CO conversion, C5+ hydrocarbon output and  C5+ isoparaffin output have been found in the paper. The paper shows that the highest values of CO conversion and C5+ hydrocarbon output correspond to maximum number of acid sites, and that number accounts for a peak of desorbed ammonia at Tmax = 122 °C, while the lowest isoparaffin output corresponds to minimum number of acid sites, which characterizes a peak of desorbed ammonia at Tmax = 224–257 °C. 

  9. Repository surface design site layout analysis

    International Nuclear Information System (INIS)

    Montalvo, H.R.

    1998-01-01

    The purpose of this analysis is to establish the arrangement of the Yucca Mountain Repository surface facilities and features near the North Portal. The analysis updates and expands the North Portal area site layout concept presented in the ACD, including changes to reflect the resizing of the Waste Handling Building (WHB), Waste Treatment Building (WTB), Carrier Preparation Building (CPB), and site parking areas; the addition of the Carrier Washdown Buildings (CWBs); the elimination of the Cask Maintenance Facility (CMF); and the development of a concept for site grading and flood control. The analysis also establishes the layout of the surface features (e.g., roads and utilities) that connect all the repository surface areas (North Portal Operations Area, South Portal Development Operations Area, Emplacement Shaft Surface Operations Area, and Development Shaft Surface Operations Area) and locates an area for a potential lag storage facility. Details of South Portal and shaft layouts will be covered in separate design analyses. The objective of this analysis is to provide a suitable level of design for the Viability Assessment (VA). The analysis was revised to incorporate additional material developed since the issuance of Revision 01. This material includes safeguards and security input, utility system input (size and location of fire water tanks and pump houses, potable water and sanitary sewage rates, size of wastewater evaporation pond, size and location of the utility building, size of the bulk fuel storage tank, and size and location of other exterior process equipment), main electrical substation information, redundancy of water supply and storage for the fire support system, and additional information on the storm water retention pond

  10. Surface barrier research at the Hanford Site

    International Nuclear Information System (INIS)

    Gee, G.W.; Ward, A.L.; Fayer, M.J.

    1997-01-01

    At the DOE Hanford Site, a field-scale prototype surface barrier was constructed in 1994 over an existing waste site as a part of a CERCLA treatability test. The above-grade barrier consists of a fine-soil layer overlying coarse layers of sands, gravels, basalt rock (riprap), and a low permeability asphalt layer. Two sideslope configurations, clean-fill gravel on a 10:1 slope and basalt riprap on a 2:1 slope, were built and are being tested. Design considerations included: constructability; drainage and water balance monitoring, wind and water erosion control and monitoring; surface revegetation and biotic intrusion; subsidence and sideslope stability, and durability of the asphalt layer. The barrier is currently in the final year of a three-year test designed to answer specific questions related to stability and long-term performance. One half of the barrier is irrigated such that the total water applied, including precipitation, is 480 mm/yr (three times the long-term annual average). Each year for the past two years, an extreme precipitation event (71 mm in 8 hr) representing a 1,000-yr return storm was applied in late March, when soil water storage was at a maximum. While the protective sideslopes have drained significant amounts of water, the soil cover (2-m of silt-loam soil overlying coarse sand and rock) has never drained. During the past year there was no measurable surface runoff or wind erosion. This is attributed to extensive revegetation of the surface. In addition, the barrier elevation has shown a small increase of 2 to 3 cm that is attributed to a combination of root proliferation and freeze/thaw activity. Testing will continue through September 1997. Performance data from the prototype barrier will be used by DOE in site-closure decisions at Hanford

  11. Surface system Forsmark. Site descriptive modelling SDM-Site Forsmark

    International Nuclear Information System (INIS)

    Lindborg, Tobias

    2008-12-01

    SKB has undertaken site characterization of two different areas, Forsmark and Laxemar-Simpevarp, in order to find a suitable location for a geological repository for spent nuclear fuel. This report focuses on the site descriptive modelling of the surface system at Forsmark. The characterization of the surface system at the site was primarily made by identifying and describing important properties in different parts of the surface system, properties concerning e.g. hydrology and climate, Quaternary deposits and soils, hydrochemistry, vegetation, ecosystem functions, but also current and historical land use. The report presents available input data, methodology for data evaluation and modelling, and resulting models for each of the different disciplines. Results from the modelling of the surface system are also integrated with results from modelling of the deep bedrock system. The Forsmark site is located within the municipality of Oesthammar, about 120 km north of Stockholm. The investigated area is located along the shoreline of Oeregrundsgrepen, a funnel-shaped bay of the Baltic Sea. The area is characterized by small-scale topographic variations and is almost entirely located at altitudes lower than 20 metres above sea level. The Quaternary deposits in the area are dominated by till, characterized by a rich content of calcite which was transported by the glacier ice to the area from the sedimentary bedrock of Gaevlebukten about 100 km north of Forsmark. As a result, the surface waters and shallow groundwater at Forsmark are characterized by high pH values and high concentrations of certain major constituents, especially calcium and bicarbonate. The annual precipitation and runoff are 560 and 150 mm, respectively. The lakes are small and shallow, with mean and maximum depths ranging from approximately 0.1 to 1 m and 0.4 to 2 m. Sea water flows into the most low-lying lakes during events giving rise to very high sea levels. Wetlands are frequent and cover 25 to 35

  12. A cluster DFT study of NH{sub 3} and NO adsorption on the (MoO{sub 2}){sup 2+}/HZSM-5 surface: Lewis versus Brønsted acid sites

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Zhifeng [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zuo, Zhijun [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Li, Zhe, E-mail: lizhe@tyut.edu.cn [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zhang, Jinshan [College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

    2014-12-01

    Graphical abstract: - Highlights: • NH{sub 3} adsorption is found to be more favorable energetically than NO adsorption on both Lewis and Brønsted acid sites. • Lewis and Brønsted acid sites are competitive energetically for NH{sub 3} adsorption. • Reduced-state Mo{sup 5+} is suggested to play a key role in adsorption and activation of NO{sub x} together with the adsorbed NH{sub 4}{sup +}. - Abstract: A systematic DFT study was carried out to investigate NH{sub 3} and NO adsorption on both Lewis and Brønsted acid sites of (MoO{sub 2}){sup 2+}/HZSM-5 catalyst by using cluster models. The adsorption energy results indicate that NH{sub 3} could strongly adsorb on both Lewis and Brønsted acid sites in the form of coordinated NH{sub 3} and NH{sub 4}{sup +}, respectively, whereas NO represents poorer adsorption ability. It is also found that Lewis and Brønsted acid sites are competitive energetically for NH{sub 3} adsorption. According to the difference in the proposed mechanisms for NH{sub 3} adsorption on different acid sites, particular attention has been focused on the first dissociation of coordinated NH{sub 3} for Lewis acid site and the effect of Mo site on the introduction of NO for Brønsted acid site. For the coordinated NH{sub 3} on Lewis acid site, the more electron donation from NH{sub 3} is, the greater its adsorption stability is and the higher active its H atoms are. In addition, DOS results show that stability of the H atoms is enhanced by interacting with framework oxygen and especially the H atoms chemical-bonded with framework oxygen. For the NH{sub 4}{sup +} on Brønsted acid site, reduced-state Mo{sup 5+} holds stronger reducibility and oxidizability than terminal oxygen, which is suggested to play a key role in adsorption and activation of NO{sub x} together with the adsorbed NH{sub 4}{sup +}.

  13. Siting of near surface disposal facilities

    International Nuclear Information System (INIS)

    1994-01-01

    Radioactive waste is generated from the production of nuclear energy and from the use of radioactive materials in industrial applications, research and medicine. The importance of safe management of radioactive waste for the protection of human health and the environment has long been recognized and considerable experience has been gained in this field. The Radioactive Waste Safety Standards (RADWASS) programme is the IAEA's contribution to establishing and promoting, in a coherent and comprehensive manner, the basic safety philosophy for radioactive waste management and the steps necessary to ensure its implementation. The Safety Standards are supplemented by a number of Safety Guides and Safety Practices. This Safety Guide defines the site selection process and criteria for identifying suitable near surface disposal facilities for low and intermediate level solid wastes. Management of the siting process and data needed to apply the criteria are also specified. 4 refs

  14. Organic acids in naturally colored surface waters

    Science.gov (United States)

    Lamar, William L.; Goerlitz, D.F.

    1966-01-01

    Most of the organic matter in naturally colored surface waters consists of a mixture of carboxylic acids or salts of these acids. Many of the acids color the water yellow to brown; however, not all of the acids are colored. These acids range from simple to complex, but predominantly they are nonvolatile polymeric carboxylic acids. The organic acids were recovered from the water by two techniques: continuous liquid-liquid extraction with n-butanol and vacuum evaporation at 50?C (centigrade). The isolated acids were studied by techniques of gas, paper, and column chromatography and infrared spectroscopy. About 10 percent of the acids recovered were volatile or could be made volatile for gas chromatographic analysis. Approximately 30 of these carboxylic acids were isolated, and 13 of them were individually identified. The predominant part of the total acids could not be made volatile for gas chromatographic analysis. Infrared examination of many column chromatographic fractions indicated that these nonvolatile substances are primarily polymeric hydroxy carboxylic acids having aromatic and olefinic unsaturation. The evidence suggests that some of these acids result from polymerization in aqueous solution. Elemental analysis of the sodium fusion products disclosed the absence of nitrogen, sulfur, and halogens.

  15. Surface system Forsmark. Site descriptive modelling SDM-Site Forsmark

    Energy Technology Data Exchange (ETDEWEB)

    Lindborg, Tobias [ed.

    2008-12-15

    SKB has undertaken site characterization of two different areas, Forsmark and Laxemar-Simpevarp, in order to find a suitable location for a geological repository for spent nuclear fuel. This report focuses on the site descriptive modelling of the surface system at Forsmark. The characterization of the surface system at the site was primarily made by identifying and describing important properties in different parts of the surface system, properties concerning e.g. hydrology and climate, Quaternary deposits and soils, hydrochemistry, vegetation, ecosystem functions, but also current and historical land use. The report presents available input data, methodology for data evaluation and modelling, and resulting models for each of the different disciplines. Results from the modelling of the surface system are also integrated with results from modelling of the deep bedrock system. The Forsmark site is located within the municipality of Oesthammar, about 120 km north of Stockholm. The investigated area is located along the shoreline of Oeregrundsgrepen, a funnel-shaped bay of the Baltic Sea. The area is characterized by small-scale topographic variations and is almost entirely located at altitudes lower than 20 metres above sea level. The Quaternary deposits in the area are dominated by till, characterized by a rich content of calcite which was transported by the glacier ice to the area from the sedimentary bedrock of Gaevlebukten about 100 km north of Forsmark. As a result, the surface waters and shallow groundwater at Forsmark are characterized by high pH values and high concentrations of certain major constituents, especially calcium and bicarbonate. The annual precipitation and runoff are 560 and 150 mm, respectively. The lakes are small and shallow, with mean and maximum depths ranging from approximately 0.1 to 1 m and 0.4 to 2 m. Sea water flows into the most low-lying lakes during events giving rise to very high sea levels. Wetlands are frequent and cover 25 to 35

  16. Surface deterioration of ammonium acid phthalate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Barrus, D.M.; Blake, R.L.; Burek, A.J.

    1976-01-01

    In working with various acid phthalate crystals for low energy X-ray spectroscopy, we have observed a relatively rapid surface degradation of ammonium acid phthalate in comparison with similar crystals was observed. It was found that two different samples degraded in a few days upon exposure to high vacuum (10/sup -6/ - 10/sup -7/ torr). The same crystals showed similar effects when exposed to room atmosphere for two to three weeks. One of these crystals deteriorated while kept constantly in a desiccator jar for about two years. The desiccator environment seems to be the most favorable. The observed difference in the surface of these crystals might be described as a change from a transparent, glasslike condition to a white, powderlike haze somewhat akin to frosted glass. A two week exposure to vacuum for a freshly cleaved crystal caused the integrated coefficient of reflection at 23.6 A to decrease by a factor of 2.5. The degraded surface areas tend to form definite rhombohedral patterns. Since the external symmetry of ammonium acid phthalate crystals is rhombohedral, this suggests that the degradation we observe takes place in the form of large etched figures. A possible mechanism may be sublimation, which would proceed more rapidly in vacuum than in air. It is concluded that ammonium acid phthalate should be kept in a desiccator environment as much as possible. Exposures to vacuum should be brief and critical diffraction measurements should be done using a freshly cleaved surface.

  17. Nucleic acid interactions with pyrite surfaces

    International Nuclear Information System (INIS)

    Mateo-Marti, E.; Briones, C.; Rogero, C.; Gomez-Navarro, C.; Methivier, Ch.; Pradier, C.M.; Martin-Gago, J.A.

    2008-01-01

    The study of the interaction of nucleic acid molecules with mineral surfaces is a field of growing interest in organic chemistry, origin of life, material science and biotechnology. We have characterized the adsorption of single-stranded peptide nucleic acid (ssPNA) on a natural pyrite surface, as well as the further adsorption of ssDNA on a PNA-modified pyrite surface. The characterization has been performed by means of reflection absorption infrared spectroscopy (RAIRS), atomic force microscopy (AFM) and X-ray photoemission spectroscopy (XPS) techniques. The N(1s) and S(2p) XPS core level peaks of PNA and PNA + DNA have been decomposed in curve-components that we have assigned to different chemical species. RAIRS spectra recorded for different concentrations show the presence of positive and negative adsorption bands, related to the semiconducting nature of the surface. The combination of the information gathered by these techniques confirms that PNA adsorbs on pyrite surface, interacting through nitrogen-containing groups of the nucleobases and the iron atoms of the surface, instead of the thiol group of the molecule. The strong PNA/pyrite interaction inhibits further hybridization of PNA with complementary ssDNA, contrary to the behavior reported on gold surfaces

  18. Nucleic acid interactions with pyrite surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Mateo-Marti, E. [Centro de Astrobiologia (CSIC-INTA), Ctra. Ajalvir, Km. 4, 28850-Torrejon de Ardoz, Madrid (Spain)], E-mail: mateome@inta.es; Briones, C.; Rogero, C. [Centro de Astrobiologia (CSIC-INTA), Ctra. Ajalvir, Km. 4, 28850-Torrejon de Ardoz, Madrid (Spain); Gomez-Navarro, C. [Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049-Madrid (Spain); Methivier, Ch.; Pradier, C.M. [Laboratoire de Reactivite de Surface, UMR CNRS 7609. Universite Pierre et Marie Curie, 4, Pl Jussieu, 75005-Paris (France); Martin-Gago, J.A. [Centro de Astrobiologia (CSIC-INTA), Ctra. Ajalvir, Km. 4, 28850-Torrejon de Ardoz, Madrid (Spain); Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049-Madrid (Spain)

    2008-09-03

    The study of the interaction of nucleic acid molecules with mineral surfaces is a field of growing interest in organic chemistry, origin of life, material science and biotechnology. We have characterized the adsorption of single-stranded peptide nucleic acid (ssPNA) on a natural pyrite surface, as well as the further adsorption of ssDNA on a PNA-modified pyrite surface. The characterization has been performed by means of reflection absorption infrared spectroscopy (RAIRS), atomic force microscopy (AFM) and X-ray photoemission spectroscopy (XPS) techniques. The N(1s) and S(2p) XPS core level peaks of PNA and PNA + DNA have been decomposed in curve-components that we have assigned to different chemical species. RAIRS spectra recorded for different concentrations show the presence of positive and negative adsorption bands, related to the semiconducting nature of the surface. The combination of the information gathered by these techniques confirms that PNA adsorbs on pyrite surface, interacting through nitrogen-containing groups of the nucleobases and the iron atoms of the surface, instead of the thiol group of the molecule. The strong PNA/pyrite interaction inhibits further hybridization of PNA with complementary ssDNA, contrary to the behavior reported on gold surfaces.

  19. Detecting coevolving amino acid sites using Bayesian mutational mapping

    DEFF Research Database (Denmark)

    Dimmic, Matthew W.; Hubisz, Melissa J.; Bustamente, Carlos D.

    2005-01-01

    Motivation: The evolution of protein sequences is constrained by complex interactions between amino acid residues. Because harmful substitutions may be compensated for by other substitutions at neighboring sites, residues can coevolve. We describe a Bayesian phylogenetic approach to the detection...

  20. Towards modelling the vibrational signatures of functionalized surfaces: carboxylic acids on H-Si(111) surfaces

    Science.gov (United States)

    Giresse Tetsassi Feugmo, Conrard; Champagne, Benoît; Caudano, Yves; Cecchet, Francesca; Chabal, Yves J.; Liégeois, Vincent

    2012-03-01

    In this work, we investigate the adsorption process of two carboxylic acids (stearic and undecylenic) on a H-Si(111) surface via the calculation of structural and energy changes as well as the simulation of their IR and Raman spectra. The two molecules adsorb differently at the surface since the stearic acid simply physisorbs while the undecylenic acid undergoes a chemical reaction with the hydrogen atoms of the surface. This difference is observed in the change of geometry during the adsorption. Indeed, the chemisorption of the undecylenic acid has a bigger impact on the structure than the physisorption of the stearic acid. Consistently, the former is also characterized by a larger value of adsorption energy and a smaller value of the tilting angle with respect to the normal plane. For both the IR and Raman signatures, the spectra of both molecules adsorbed at the surface are in a first approximation the superposition of the spectra of the Si cluster and of the carboxylic acid considered individually. The main deviation from this simple observation is the peak of the stretching Si-H (ν(Si-H)) mode, which is split into two peaks upon adsorption. As expected, the splitting is bigger for the chemisorption than the physisorption. The modes corresponding to atomic displacements close to the adsorption site display a frequency upshift by a dozen wavenumbers. One can also see the disappearance of the peaks associated with the C=C double bond when the undecylenic acid chemisorbs at the surface. The Raman and IR spectra are complementary and one can observe here that the most active Raman modes are generally IR inactive. Two exceptions to this are the two ν(Si-H) modes which are active in both spectroscopies. Finally, we compare our simulated spectra with some experimental measurements and we find an overall good agreement.

  1. Towards modelling the vibrational signatures of functionalized surfaces: carboxylic acids on H-Si(111) surfaces

    International Nuclear Information System (INIS)

    Tetsassi Feugmo, Conrard Giresse; Champagne, Benoît; Liégeois, Vincent; Caudano, Yves; Cecchet, Francesca; Chabal, Yves J

    2012-01-01

    In this work, we investigate the adsorption process of two carboxylic acids (stearic and undecylenic) on a H-Si(111) surface via the calculation of structural and energy changes as well as the simulation of their IR and Raman spectra. The two molecules adsorb differently at the surface since the stearic acid simply physisorbs while the undecylenic acid undergoes a chemical reaction with the hydrogen atoms of the surface. This difference is observed in the change of geometry during the adsorption. Indeed, the chemisorption of the undecylenic acid has a bigger impact on the structure than the physisorption of the stearic acid. Consistently, the former is also characterized by a larger value of adsorption energy and a smaller value of the tilting angle with respect to the normal plane. For both the IR and Raman signatures, the spectra of both molecules adsorbed at the surface are in a first approximation the superposition of the spectra of the Si cluster and of the carboxylic acid considered individually. The main deviation from this simple observation is the peak of the stretching Si-H (ν(Si-H)) mode, which is split into two peaks upon adsorption. As expected, the splitting is bigger for the chemisorption than the physisorption. The modes corresponding to atomic displacements close to the adsorption site display a frequency upshift by a dozen wavenumbers. One can also see the disappearance of the peaks associated with the C=C double bond when the undecylenic acid chemisorbs at the surface. The Raman and IR spectra are complementary and one can observe here that the most active Raman modes are generally IR inactive. Two exceptions to this are the two ν(Si-H) modes which are active in both spectroscopies. Finally, we compare our simulated spectra with some experimental measurements and we find an overall good agreement. (paper)

  2. Characterization of reference and site specific humic acids

    International Nuclear Information System (INIS)

    Kim, J.I.; Buckau, G.

    1988-11-01

    As a contribution to the interlaboratory exercise for the complexation of humic acid and colloid generation (COCO-Club activities) in the CEC project MIRAGE-II, the characterization of selected humic acids have been carried out at TU Muenchen, regarding their elemental compositions, inorganic impurities, spectroscopic properties, size distributions and proton exchange capacities. The commercial humic acid (Na salt) from Aldrich Co. is purified to a protonated form and used as reference material. Furthermore two humic acids extracted from groundwaters from Gorleben (FRG) and Boom Clay (B) are purified to protonated forms and taken as site specific materials. These three humic acids, together with the original Na salt from Aldrich Co., are included in the present characterization exercise. The results of characterization provide basic knowledge supporting the forthcoming study of complexation of actinides and fission products with humic acid and their migration processes in the geosphere. (orig.)

  3. Characterization of reference and site specific human acids

    International Nuclear Information System (INIS)

    Kim, J.I.; Buckau, G.

    1988-01-01

    As a part of the interlaboratory exercise for the complexation of humic acid and colloid generation (COCO-Club activities) in the CEC project MIRAGE-II, the characterization of humic acids have been carried out, as for their elemental compositions, inorganic impurities, spectroscopic properties, size distributions and proton exchange capacities. The commercial humic acid (Na salt) from Aldrich Co. is purified to a protonated form and used as a reference material, and the humic acid extracted from one of Gorleben groundwaters is also purified to a protonated form and taken as a site specific material. These two humic acids, together with the original Na salt from Aldrich Co., are included for the characterization exercise. The results of characterization provide a basic knowledge that supports the forthcoming study of complexation of humic acids with actinides and fission products in their migration processes in the geosphere. (orig.)

  4. Surface acid-base behaviors of Chinese loess.

    Science.gov (United States)

    Chu, Zhaosheng; Liu, Wenxin; Tang, Hongxiao; Qian, Tianwei; Li, Shushen; Li, Zhentang; Wu, Guibin

    2002-08-15

    Acid-base titration was applied to investigate the surface acid-base properties of a Chinese loess sample at different ionic strengths. The acidimetric supernatant was regarded as the system blank of titration to correct the influence of particle dissolution on the estimation of proton consumption. The titration behavior of the system blank could be described by the hydrolysis of Al3+ and Si(OH)4 in aqueous solution as well as the production of hydroxyaluminosilicates. The formation of Al-Si species on homogeneous surface sites by hydrous aluminum and silicic acid, released from solid substrate during the acidic titration, was considered in the model description of the back-titration procedure. A surface reaction model was suggested as follows: >SOHSO(-)+H+, pK(a)(int)=3.48-3.98;>SOH+Al(3+)+H4SiO4SOAl(OSi(OH)3(+)+2H+, pK(SC)=3.48-4.04. Two simple surface complexation models accounted for the interfacial structure, i.e., the constant capacitance model (CCM) and the diffuse layer model (DLM), and gave a satisfactory description of the experimental data. Considering the effect of ionic strength on the electrostatic profile at the solid-aqueous interface, the DLM was appropriate at the low concentrations (0.01 and 0.005 mol/L) of background electrolyte (NaNO3 in this study), while the CCM was preferable in the case of high ionic strength (0.1 mol/L).

  5. Detection analysis of surface hydroxyl active sites and simulation calculation of the surface dissociation constants of aqueous diatomite suspensions

    Science.gov (United States)

    Ma, Shu-Cui; Wang, Zhi-Gang; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-02-01

    The surface properties of the diatomite were investigated using nitrogen adsorption/deadsorption isotherms, TG-DSC, FTIR, and XPS, and surface protonation-deprotonation behavior was determined by continuous acid-base potentiometric titration technique. The diatomite sample with porous honeycomb structure has a BET specific surface area of 10.21 m2/g and large numbers of surface hydroxyl functional groups (i.e. tbnd Si-OH, tbnd Fe-OH, and tbnd Al-OH). These surface hydroxyls can be protonated or deprotonated depending on the pH of the suspension. The experimental potentiometric data in two different ionic strength solutions (0.1 and 0.05 mol/L NaCl) were fitted using ProtoFit GUI V2.1 program by applying diffuse double layer model (DLM) with three amphoteric sites and minimizing the sum of squares between a dataset derivative function and a model derivative function. The optimized surface parameters (i.e. surface dissociation constants (log K1, log K2) and surface site concentrations (log C)) of the sample were obtained. Based on the optimized surface parameters, the surface species distribution was calculated using Program-free PHREEQC 3.1.2. Thus, this work reveals considerable new information about surface protonation-deprotonation processes and surface adsorptive behaviors of the diatomite, which helps us to effectively use the cheap and cheerful diatomite clay adsorbent.

  6. Absolute acidity of clay edge sites from ab-initio simulations

    Science.gov (United States)

    Tazi, Sami; Rotenberg, Benjamin; Salanne, Mathieu; Sprik, Michiel; Sulpizi, Marialore

    2012-10-01

    We provide a microscopic understanding of the solvation structure and reactivity of the edges of neutral clays. In particular we address the tendency to deprotonation of the different reactive groups on the (0 1 0) face of pyrophyllite. Such information cannot be inferred directly from titration experiments, which do not discriminate between different sites and whose interpretation resorts to macroscopic models. The determination of the corresponding pKa then usually relies on bond valence models, sometimes improved by incorporating some structural information from ab-initio simulations. Here we use density functional theory based molecular dynamics simulations, combined with thermodynamic integration, to compute the free energy of the reactions of water with the different surface groups, leading to a deprotonated site and an aqueous hydronium ion. Our approach consistently describes the clay and water sides of the interface and includes naturally electronic polarization effects. It also allows to investigate the structure and solvation of all sites separately. We find that the most acidic group is SiOH, due to its ability to establish strong hydrogen bonds with adsorbed water, as it also happens on the quartz and amorphous silica surfaces. The acidity constant of AlOH2 is only 1 pKa unit larger. Finally, the pKa of AlOH is outside the possible range in water and this site should not deprotonate in aqueous solution. We show that the solvation of surface sites and hence their acidity is strongly affected by the proximity of other sites, in particular for AlOH and AlOH2 which share the same Al. We discuss the implications of our findings on the applicability of bond valence models to predict the acidity of edge sites of clays.

  7. Bronsted acid site number evaluation using isopropylamine decomposition on Y-zeolite contaminated with vanadium in a simultaneous DSC-TGA analyzer

    International Nuclear Information System (INIS)

    Osorio Perez, Yonnathan; Forero, Liliam Alexandra Palomeque; Torres, Diana Vanessa Cristiano; Trujillo, Carlos Alexander

    2008-01-01

    Acid-site catalyzed decomposition of isopropylamine was followed in a simultaneous DSC-TGA analyzer. USY zeolite samples with and without vanadium were studied. Results show that acid sites number decreases linearly with vanadium concentration in zeolite indicating that vanadium neutralizes acid sites on catalyst and the metal is able to move on the surface of the solid. The neutralizing species probably contain only one vanadium atom. The reaction enthalpy plus desorption heat of the products show that vanadium preferentially neutralizes the strongest acid sites on the zeolite. The application of the simultaneous DSC-TGA technique to quantify Bronsted acid sites on solids by this reaction is novel

  8. Control of Eolian soil erosion from waste site surface barriers

    International Nuclear Information System (INIS)

    Ligotke, M.W.

    1994-11-01

    Physical models were tested in a wind tunnel to determine optimum surface-ravel admixtures for protecting silt-loam soil from erosion by, wind and saltating, sand stresses. The tests were performed to support the development of a natural-material surface barrier for and waste sites. Plans call for a 2-m deep silt-loam soil reservoir to retain infiltrating water from rainfall and snowmelt. The objective of the study was to develop a gravel admixture that would produce an erosion-resistant surface layer during, periods of extended dry climatic stress. Thus, tests were performed using simulated surfaces representing dry, unvegetated conditions present just after construction, after a wildfire, or during an extended drought. Surfaces were prepared using silt-loam soil mixed with various grades of sand and Travel. Wind-induced surface shear stresses were controlled over the test surfaces, as were saltating, sand mass flow rates and intensities. Tests were performed at wind speeds that approximated and exceeded local 100-year peak gust intensities. Surface armors produced by pea gravel admixtures were shown to provide the best protection from wind and saltating sand stresses. Compared with unprotected silt-loam surfaces, armored surfaces reduced erosion rates by more than 96%. Based in part on wind tunnel results, a pea gravel admixture of 15% will be added to the top 1 in of soil in a prototype barrier under construction in 1994. Field tests are planned at the prototype site to provide data for comparison with wind tunnel results

  9. Surface Propensity of Atmospherically Relevant Amino Acids Studied by XPS.

    Science.gov (United States)

    Mocellin, Alexandra; Gomes, Anderson Herbert de Abreu; Araújo, Oscar Cardoso; de Brito, Arnaldo Naves; Björneholm, Olle

    2017-04-27

    Amino acids constitute an important fraction of the water-soluble organic nitrogen (WSON) compounds in aerosols and are involved in many processes in the atmosphere. In this work, we applied X-ray photoelectron spectroscopy (XPS) to study aqueous solutions of four amino acids, glycine, alanine, valine, and methionine, in their zwitterionic forms. We found that amino acids with hydrophilic side chains and smaller size, GLY and ALA, tend to stay in the bulk of the liquid, while the hydrophobic and bigger amino acids, VAL and MET, are found to concentrate more on the surface. We found experimental evidence that the amino acids have preferential orientation relative to the surface, with the hydrophobic side chain being closer to the surface than the hydrophilic carboxylate group. The observed amino acid surface propensity has implications in atmospheric science as the surface interactions play a central role in cloud droplet formation, and they should be considered in climate models.

  10. USDA soil classification system dictates site surface management

    International Nuclear Information System (INIS)

    Bowmer, W.J.

    1985-01-01

    Success or failure of site surface management practices greatly affects long-term site stability. The US Department of Agriculture (USDA) soil classification system best documents those parameters which control the success of installed practices for managing both erosion and surface drainage. The USDA system concentrates on soil characteristics in the upper three meters of the surface that support the associated flora both physically and physiologically. The USDA soil survey first identifies soil series based on detailed characteristics that are related to production potential. Using the production potential, land use capability classes are developed. Capability classes reveal the highest and best agronomic use for the site. Lower number classes are considered arable while higher number classes are best suited for grazing agriculture. Application of ecological principles based on the USDA soil survey reveals the current state of the site relative to its ecological potential. To assure success, site management practices must be chosen that are compatible with both production capability and current state of the site

  11. Assessment of surface acidity in mesoporous materials containing aluminum and titanium

    Science.gov (United States)

    Araújo, Rinaldo S.; Maia, Débora A. S.; Azevedo, Diana C. S.; Cavalcante, Célio L., Jr.; Rodríguez-Castellón, E.; Jimenez-Lopez, A.

    2009-04-01

    The surface acidity of mesoporous molecular sieves of aluminum and titanium was evaluated using four different techniques: n-butylamine volumetry, cyclohexylamine thermodesorption, temperature-programmed desorption of ammonia and adsorption of pyridine. The nature, strength and concentration of the acid sites were determined and correlated to the results of a probe reaction of anthracene oxidation to 9,10-anthraquinone (in liquid phase). In general, the surface acidity was highly influenced by the nature, location and coordination of the metal species (Al and Ti) in the mesoporous samples. Moderate to strong Brönsted acid sites were identified for the Al-MCM-41 sample in a large temperature range. For mesoporous materials containing Ti, the acidity was represented by a combination of weak to moderate Brönsted and Lewis acid sites. The Ti-HMS sample exhibits a higher acidity of moderate strength together with a well-balanced concentration of Brönsted and Lewis acid sites, which enhanced both conversion and selectivity in the oxidation reaction of anthracene.

  12. Tribological and stability investigations of alkylphosphonic acids on alumina surface

    International Nuclear Information System (INIS)

    Cichomski, M.; Kośla, K.; Grobelny, J.; Kozłowski, W.; Szmaja, W.

    2013-01-01

    Alumina substrates are commonly used for various micro-/nanoelectromechanical systems (MEMS/NEMS). For efficient and lifetime longevity of these devices, lubricant films of self-assembled monolayers (SAMs) with nanometer thickness are increasingly being employed. In the present paper, we report preparation, tribological and stability investigations of alkylphosphonic acids on the alumina surface. The alkylphosphonic acids were prepared on the alumina surface using the liquid phase deposition method. The effectiveness of modification of the alumina surface by alkylphosphonic acids was investigated using water contact angle measurements, secondary ion mass spectrometry, X-ray photoelectron and infrared spectroscopy. Frictional behavior in milinewton load range was studied by microtribometry. It is shown that surface modification of the alumina surface by alkylphosphonic acids reduces the coefficient of friction values compared to the unmodified alumina. In comparison to the non-modified alumina surface, all tested alkylphosphonic acids cause a decrease in the friction coefficients in friction tests for counterparts made from different materials, such as steel, zirconia and silicon nitride. It is also found that the alumina surface modified by alkylphosphonic acids with longer chain has a higher degree of hydrophobicity and lower coefficient of friction. The best frictional properties are obtained for the system consisting of the alumina surface modified by n-octadecylphosphonic acid and silicon nitride counterpart. Stability tests in different environmental conditions: laboratory, acidic and alkaline solutions were also monitored.

  13. Predicting protein amidation sites by orchestrating amino acid sequence features

    Science.gov (United States)

    Zhao, Shuqiu; Yu, Hua; Gong, Xiujun

    2017-08-01

    Amidation is the fourth major category of post-translational modifications, which plays an important role in physiological and pathological processes. Identifying amidation sites can help us understanding the amidation and recognizing the original reason of many kinds of diseases. But the traditional experimental methods for predicting amidation sites are often time-consuming and expensive. In this study, we propose a computational method for predicting amidation sites by orchestrating amino acid sequence features. Three kinds of feature extraction methods are used to build a feature vector enabling to capture not only the physicochemical properties but also position related information of the amino acids. An extremely randomized trees algorithm is applied to choose the optimal features to remove redundancy and dependence among components of the feature vector by a supervised fashion. Finally the support vector machine classifier is used to label the amidation sites. When tested on an independent data set, it shows that the proposed method performs better than all the previous ones with the prediction accuracy of 0.962 at the Matthew's correlation coefficient of 0.89 and area under curve of 0.964.

  14. Surface Wind Gust Statistics at the Savannah River Site

    International Nuclear Information System (INIS)

    Weber, A.H.

    2001-01-01

    The Atmospheric Technologies Group (ATG) of the Savannah River Technology Center (SRTC) collects meteorological data for many purposes at the Savannah River Site (SRS) including weather forecasting. This study focuses on wind gusts and also, to a lesser degree, turbulence intensities that occur in fair weather conditions near the surface over time periods from 1 hour to one week (168 hours)

  15. Catalytic Ozonation of Toluene Using Chilean Natural Zeolite: The Key Role of Brønsted and Lewis Acid Sites

    Directory of Open Access Journals (Sweden)

    Serguei Alejandro-Martín

    2018-05-01

    Full Text Available The influence of surface physical-chemical characteristics of Chilean natural zeolite on the catalytic ozonation of toluene is presented in this article. Surface characteristics of natural zeolite were modified by acid treatment with hydrochloric acid and ion-exchange with ammonium sulphate. Prior to catalytic ozonation assays, natural and chemically modified zeolite samples were thermally treated at 623 and 823 K in order to enhance Brønsted and Lewis acid sites formation, respectively. Natural and modified zeolite samples were characterised by N2 adsorption at 77 K, elemental analysis, X-ray fluorescence, and Fourier transform infrared (FTIR spectroscopy, using pyridine as a probe molecule. The highest values of the reaction rate of toluene oxidation were observed when NH4Z1 and 2NH4Z1 zeolite samples were used. Those samples registered the highest density values of Lewis acid sites compared to other samples used here. Results indicate that the presence of strong Lewis acid sites at the 2NH4Z1 zeolite surface causes an increase in the reaction rate of toluene oxidation, confirming the role of Lewis acid sites during the catalytic ozonation of toluene at room temperature. Lewis acid sites decompose gaseous ozone into atomic oxygen, which reacts with the adsorbed toluene at Brønsted acid sites. On the other hand, no significant contribution of Brønsted acid sites on the reaction rate was registered when NH4Z1 and 2NH4Z1 zeolite samples were used.

  16. Modification and characterization of sites giving acid cracking on aluminium oxide supports; Modification et caracterisation des sites responsables du craquage acide sur des supports a base d`alumine

    Energy Technology Data Exchange (ETDEWEB)

    Guillaume, D

    1997-10-23

    The aim of this work is to characterize the surface acid properties of {gamma} alumina, especially the nature, the amount, the strength and the environment of acid sites. The techniques that have been used are: the thermo-desorption of trimethyl-phosphine followed by {sup 31}P MAS NMR, the infrared spectroscopy, the n-heptane cracking, the modification of {gamma} alumina by the addition of chlorine, silicon and alkali (K{sup +}, Na{sup +}), alkaline-earths (Mg{sup 2+}, Ca{sup 2+}), lanthanum (La{sup 3+}) cations. The combination of these techniques has allowed to identify the surface acid properties of {gamma} alumina through the n-heptane transformation reactions under reforming conditions. We have shown that Lewis acidity is responsible for cracking reactions leading to C{sub 1}-C{sub 6} and C{sub 2}-C{sub 5} whereas the cracking of n-heptane producing C{sub 3}-C{sub 4} is due to Broensted acid sites. The isomerization and cyclization reactions both require weaker Broensted acid sites than cracking leading to C{sub 3}-C{sub 4}. The mechanisms involved in the formation of products of these reactions have been identified. Despite the complexity of surface acid properties of {gamma} alumina, this study has determined the environment of catalytically active sites, considering the presence of cation vacancies. (author) 206 refs.

  17. Brønsted acid sites based on penta-coordinated aluminum species

    Science.gov (United States)

    Wang, Zichun; Jiang, Yijiao; Lafon, Olivier; Trébosc, Julien; Duk Kim, Kyung; Stampfl, Catherine; Baiker, Alfons; Amoureux, Jean-Paul; Huang, Jun

    2016-12-01

    Zeolites and amorphous silica-alumina (ASA), which both provide Brønsted acid sites (BASs), are the most extensively used solid acid catalysts in the chemical industry. It is widely believed that BASs consist only of tetra-coordinated aluminum sites (AlIV) with bridging OH groups in zeolites or nearby silanols on ASA surfaces. Here we report the direct observation in ASA of a new type of BAS based on penta-coordinated aluminum species (AlV) by 27Al-{1H} dipolar-mediated correlation two-dimensional NMR experiments at high magnetic field under magic-angle spinning. Both BAS-AlIV and -AlV show a similar acidity to protonate probe molecular ammonia. The quantitative evaluation of 1H and 27Al sites demonstrates that BAS-AlV co-exists with BAS-AlIV rather than replaces it, which opens new avenues for strongly enhancing the acidity of these popular solid acids.

  18. Surface complexation modeling of uranium (Vi) retained onto zirconium diphosphate in presence of organic acids

    International Nuclear Information System (INIS)

    Almazan T, M. G.; Garcia G, N.; Ordonez R, E.

    2010-10-01

    In the field of nuclear waste disposal, predictions regarding radionuclide migration through the geosphere, have to take account the effects of natural organic matter. This work presents an investigation of interaction mechanisms between U (Vi) and zirconium diphosphate (ZrP 2 O 7 ) in presence of organic acids (citric acid and oxalic acid). The retention reactions were previously examined using a batch equilibrium method. Previous results showed that U (Vi) retention was more efficient when citric acid or oxalic acid was present in solid surface at lower ph values. In order to determine the retention equilibria for both systems studied, a phosphorescence spectroscopy study was carried out. The experimental data were then fitted using the Constant Capacitance Model included in the FITEQL4.0 code. Previous results concerning surface characterization of ZrP 2 O 7 (surface sites density and surface acidity constants) were used to constraint the modeling. The best fit for U (Vi)/citric acid/ZrP 2 O 7 and U (Vi)/oxalic acid/ZrP 2 O 7 systems considered the formation of a ternary surface complex. (Author)

  19. Prediction of allosteric sites on protein surfaces with an elastic-network-model-based thermodynamic method.

    Science.gov (United States)

    Su, Ji Guo; Qi, Li Sheng; Li, Chun Hua; Zhu, Yan Ying; Du, Hui Jing; Hou, Yan Xue; Hao, Rui; Wang, Ji Hua

    2014-08-01

    Allostery is a rapid and efficient way in many biological processes to regulate protein functions, where binding of an effector at the allosteric site alters the activity and function at a distant active site. Allosteric regulation of protein biological functions provides a promising strategy for novel drug design. However, how to effectively identify the allosteric sites remains one of the major challenges for allosteric drug design. In the present work, a thermodynamic method based on the elastic network model was proposed to predict the allosteric sites on the protein surface. In our method, the thermodynamic coupling between the allosteric and active sites was considered, and then the allosteric sites were identified as those where the binding of an effector molecule induces a large change in the binding free energy of the protein with its ligand. Using the proposed method, two proteins, i.e., the 70 kD heat shock protein (Hsp70) and GluA2 alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptor, were studied and the allosteric sites on the protein surface were successfully identified. The predicted results are consistent with the available experimental data, which indicates that our method is a simple yet effective approach for the identification of allosteric sites on proteins.

  20. Direct instrumental identification of catalytically active surface sites

    Science.gov (United States)

    Pfisterer, Jonas H. K.; Liang, Yunchang; Schneider, Oliver; Bandarenka, Aliaksandr S.

    2017-09-01

    The activity of heterogeneous catalysts—which are involved in some 80 per cent of processes in the chemical and energy industries—is determined by the electronic structure of specific surface sites that offer optimal binding of reaction intermediates. Directly identifying and monitoring these sites during a reaction should therefore provide insight that might aid the targeted development of heterogeneous catalysts and electrocatalysts (those that participate in electrochemical reactions) for practical applications. The invention of the scanning tunnelling microscope (STM) and the electrochemical STM promised to deliver such imaging capabilities, and both have indeed contributed greatly to our atomistic understanding of heterogeneous catalysis. But although the STM has been used to probe and initiate surface reactions, and has even enabled local measurements of reactivity in some systems, it is not generally thought to be suited to the direct identification of catalytically active surface sites under reaction conditions. Here we demonstrate, however, that common STMs can readily map the catalytic activity of surfaces with high spatial resolution: we show that by monitoring relative changes in the tunnelling current noise, active sites can be distinguished in an almost quantitative fashion according to their ability to catalyse the hydrogen-evolution reaction or the oxygen-reduction reaction. These data allow us to evaluate directly the importance and relative contribution to overall catalyst activity of different defects and sites at the boundaries between two materials. With its ability to deliver such information and its ready applicability to different systems, we anticipate that our method will aid the rational design of heterogeneous catalysts.

  1. Nucleic acid constructs containing orthogonal site selective recombinases (OSSRs)

    Energy Technology Data Exchange (ETDEWEB)

    Gilmore, Joshua M.; Anderson, J. Christopher; Dueber, John E.

    2017-08-29

    The present invention provides for a recombinant nucleic acid comprising a nucleotide sequence comprising a plurality of constructs, wherein each construct independently comprises a nucleotide sequence of interest flanked by a pair of recombinase recognition sequences. Each pair of recombinase recognition sequences is recognized by a distinct recombinase. Optionally, each construct can, independently, further comprise one or more genes encoding a recombinase capable of recognizing the pair of recombinase recognition sequences of the construct. The recombinase can be an orthogonal (non-cross reacting), site-selective recombinase (OSSR).

  2. Remediation of acid tar sludge at a Superfund site

    International Nuclear Information System (INIS)

    Grajczak, P.; McManus, R.W.

    1995-01-01

    An old refinery site in Texas was safely remediated a year before schedule and for 25% less than original engineering estimates through aggressive project management and the application of an innovative design. The authors planned to solidify the petroleum acid sludge and place it in an on-site, constructed landfill. Careful evaluation of available solidification technologies lead to selection of the DCR process, a patented stabilization process far waste treatment. The technology offered low expansion factor, low reagent to waste ratio, and low cost. The process also proved to be efficient and safe, implemented using a custom-designed, transportable treatment unit. High treatment rates and continuous uninterrupted operation resulted in early completion of the waste treatment task

  3. Surface energy budget and turbulent fluxes at Arctic terrestrial sites

    Science.gov (United States)

    Grachev, Andrey; Persson, Ola; Uttal, Taneil; Konopleva-Akish, Elena; Crepinsek, Sara; Cox, Christopher; Fairall, Christopher; Makshtas, Alexander; Repina, Irina

    2017-04-01

    Determination of the surface energy budget (SEB) and all SEB components at the air-surface interface are required in a wide variety of applications including atmosphere-land/snow simulations and validation of the surface fluxes predicted by numerical models over different spatial and temporal scales. Here, comparisons of net surface energy budgets at two Arctic sites are made using long-term near-continuous measurements of hourly averaged surface fluxes (turbulent, radiation, and soil conduction). One site, Eureka (80.0 N; Nunavut, Canada), is located in complex topography near a fjord about 200 km from the Arctic Ocean. The other site, Tiksi (71.6 N; Russian East Siberia), is located on a relatively flat coastal plain less than 1 km from the shore of Tiksi Bay, a branch of the Arctic Ocean. We first analyzed diurnal and annual cycles of basic meteorological parameters and key SEB components at these locations. Although Eureka and Tiksi are located on different continents and at different latitudes, the annual course of the surface meteorology and SEB components are qualitatively similar. Surface energy balance closure is a formulation of the conservation of energy principle. Our direct measurements of energy balance for both Arctic sites show that the sum of the turbulent sensible and latent heat fluxes and the ground (conductive) heat flux systematically underestimate the net radiation by about 25-30%. This lack of energy balance closure is a fundamental and pervasive problem in micrometeorology. We discuss a variety of factors which may be responsible for the lack of SEB closure. In particular, various storage terms (e.g., air column energy storage due to radiative and/or sensible heat flux divergence, ground heat storage above the soil flux plate, energy used in photosynthesis, canopy biomass heat storage). For example, our observations show that the photosynthesis storage term is relatively small (about 1-2% of the net radiation), but about 8-12% of the

  4. Effect of acidic agents on surface roughness of dental ceramics

    Directory of Open Access Journals (Sweden)

    Boonlert Kukiattrakoon

    2011-01-01

    Conclusion: Acidic agents used in this study negatively affected the surface of ceramic materials. This should be considered when restoring the eroded tooth with ceramic restorations in patients who have a high risk of erosive conditions.

  5. Preferred sensor sites for surface EMG signal decomposition

    International Nuclear Information System (INIS)

    Zaheer, Farah; Roy, Serge H; De Luca, Carlo J

    2012-01-01

    Technologies for decomposing the electromyographic (EMG) signal into its constituent motor unit action potential trains have become more practical by the advent of a non-invasive methodology using surface EMG (sEMG) sensors placed on the skin above the muscle of interest (De Luca et al 2006 J. Neurophysiol. 96 1646–57 and Nawab et al 2010 Clin. Neurophysiol. 121 1602–15). This advancement has widespread appeal among researchers and clinicians because of the ease of use, reduced risk of infection, and the greater number of motor unit action potential trains obtained compared to needle sensor techniques. In this study we investigated the influence of the sensor site on the number of identified motor unit action potential trains in six lower limb muscles and one upper limb muscle with the intent of locating preferred sensor sites that provided the greatest number of decomposed motor unit action potential trains, or motor unit yield. Sensor sites rendered varying motor unit yields throughout the surface of a muscle. The preferred sites were located between the center and the tendinous areas of the muscle. The motor unit yield was positively correlated with the signal-to-noise ratio of the detected sEMG. The signal-to-noise ratio was inversely related to the thickness of the tissue between the sensor and the muscle fibers. A signal-to-noise ratio of 3 was found to be the minimum required to obtain a reliable motor unit yield. (paper)

  6. Surface roughness of composite resins subjected to hydrochloric acid.

    Science.gov (United States)

    Roque, Ana Carolina Cabral; Bohner, Lauren Oliveira Lima; de Godoi, Ana Paula Terossi; Colucci, Vivian; Corona, Silmara Aparecida Milori; Catirse, Alma Blásida Concepción Elizaur Benitez

    2015-01-01

    The purpose of this study was to determine the influence of hydrochloric acid on surface roughness of composite resins subjected to brushing. Sixty samples measuring 2 mm thick x 6 mm diameter were prepared and used as experimental units. The study presented a 3x2 factorial design, in which the factors were composite resin (n=20), at 3 levels: microhybrid composite (Z100), nanofilled composite (FiltekTM Supreme), nanohybrid composite (Ice), and acid challenge (n=10) at 2 levels: absence and presence. Acid challenge was performed by immersion of specimens in hydrochloric acid (pH 1.2) for 1 min, 4 times per day for 7 days. The specimens not subjected to acid challenge were stored in 15 mL of artificial saliva at 37 oC. Afterwards, all specimens were submitted to abrasive challenge by a brushing cycle performed with a 200 g weight at a speed of 356 rpm, totaling 17.8 cycles. Surface roughness measurements (Ra) were performed and analyzed by ANOVA and Tukey test (p≤0.05). Surface roughness values were higher in the presence (1.07±0.24) as compared with the absence of hydrochloric acid (0.72±0.04). Surface roughness values were higher for microhybrid (1.01±0.27) compared with nanofilled (0.68 ±0.09) and nanohybrid (0.48±0.15) composites when the specimens were not subjects to acid challenge. In the presence of hydrochloric acid, microhybrid (1.26±0.28) and nanofilled (1.18±0,30) composites presents higher surface roughness values compared with nanohybrid (0.77±0.15). The hydrochloric acid affected the surface roughness of composite resin subjected to brushing.

  7. Site descriptive modeling as a part of site characterization in Sweden - Concluding the surface based investigations

    International Nuclear Information System (INIS)

    Andersson, Johan; Winberg, Anders; Skagius, Kristina; Stroem, Anders; Lindborg, Tobias

    2007-01-01

    The Swedish Nuclear Fuel and Waste Management Co., SKB, is currently finalizing its surface based site investigations for the final repository for spent nuclear fuel in the municipalities of Oestharmnar (the Forsmark area) and Oskarshamn (the Simpevar/Laxemar area). The investigation data are assessed into a Site Descriptive Model, constituting a synthesis of geology, rock mechanics, thermal properties, hydrogeology, hydro-geochemistry, transport properties and a surface system description. Site data constitute a wide range of different measurement results. These data both need to be checked for consistency and to be interpreted into a format more amenable for three-dimensional modeling. The three-dimensional modeling (i.e. estimating the distribution of parameter values in space) is made in a sequence where the geometrical framework is taken from the geological models and in turn used by the rock mechanics, thermal and hydrogeological modeling. These disciplines in turn are partly interrelated, and also provide feedback to the geological modeling, especially if the geological description appears unreasonable when assessed together with the other data. Procedures for assessing the uncertainties and the confidence in the modeling have been developed during the course of the site modeling. These assessments also provide key input to the completion of the site investigation program. (authors)

  8. Nucleic acid detection with surface plasmon resonance using cationic latex

    NARCIS (Netherlands)

    de Vries, E.F.A.; Schasfoort, Richardus B.M.; van der Plas, J.; Greve, Jan

    1994-01-01

    An affinity sensor based on Surface Plasmon Resonance (SPR) was used to detect nucleic acids. SPR is an optical technique that is able to detect small changes in the refractive index of the immediate vicinity of a metal surface. After a specific amplification of DNA, achieved using the polymerase

  9. Electronic-state control of amino acids on semiconductor surfaces

    International Nuclear Information System (INIS)

    Oda, Masato; Nakayama, Takashi

    2005-01-01

    Electronic structures of amino acids on the Si(1 1 1) surfaces are investigated by using ab initio Hartree-Fock calculations. It is shown that among various polar amino acids, a histidine is the only one that can be positively ionized when hole carriers are supplied in the Si substrate, by transferring the hole charge from Si substrate to an amino acid. This result indicates that the ionization of a histidine, which will activate the protein functions, can be controlled electrically by producing amino acid/Si junctions

  10. Determining surface areas of marine alga cells by acid-base titration method.

    Science.gov (United States)

    Wang, X; Ma, Y; Su, Y

    1997-09-01

    A new method for determining the surface area of living marine alga cells was described. The method uses acid-base titration to measure the surface acid/base amount on the surface of alga cells and uses the BET (Brunauer, Emmett, and Teller) equation to estimate the maximum surface acid/base amount, assuming that hydrous cell walls have carbohydrates or other structural compounds which can behave like surface Brönsted acid-base sites due to coordination of environmental H2O molecules. The method was applied to 18 diverse alga species (including 7 diatoms, 2 flagellates, 8 green algae and 1 red alga) maintained in seawater cultures. For the species examined, the surface areas of individual cells ranged from 2.8 x 10(-8) m2 for Nannochloropsis oculata to 690 x 10(-8) m2 for Dunaliella viridis, specific surface areas from 1,030 m2.g-1 for Dunaliella salina to 28,900 m2.g-1 for Pyramidomonas sp. Measurement accuracy was 15.2%. Preliminary studies show that the method may be more promising and accurate than light/electron microscopic measurements for coarse estimation of the surface area of living algae.

  11. The development of surface barriers at the Hanford Site

    International Nuclear Information System (INIS)

    Wing, N.R.; Gee, G.W.

    1994-03-01

    Engineered barriers are being developed to isolate wastes disposed of near the earth's surface at the US Department of Energy's (DOE) Hanford Site near Richland, Washington. Much of the waste that would be disposed of by in-place stabilization currently is located in relatively shallow subsurface structures such as solid waste burial grounds, tanks, vaults, and cribs. Unless protected in some way, the wastes could be transported to the accessible environment via the following pathways: plant, animal, and human intrusion; water infiltration; erosion; and the exhalation of noxious gases. Permanent isolation surface barriers have been proposed to protect wastes disposed of ''in place'' from the transport pathways identified previously (Figure 1). The protective barrier consists of a variety of different materials (e.g., fine soil, sand, gravel, riprap, asphalt, etc.) placed in layers to form an above-grade mound directly over the waste zone. Surface markers are being considered for placement around the periphery of the waste sites to inform future generations of the nature and hazards of the buried wastes. In addition, throughout the protective barrier, subsurface markers could be placed to warn any inadvertent human intruders of the dangers of the buried wastes (Figure 2)

  12. Surface water management at a mixed waste remediation site

    International Nuclear Information System (INIS)

    Schlotzhauer, D.S.; Warbritton, K.R.

    1991-01-01

    The Weldon Spring Remedial Action Project (WSSRAP) deals with chemical and radiological contaminants. MK-Ferguson Company is managing the project under contract with the US Department of Energy. Remedial activities include demolishing buildings, constructing material storage and staging areas, excavating and consolidating waste materials, and treating and disposing of the materials in a land disposal facility. Due to the excavation and construction required during remediation, a well-planned surface water management system is essential. Planning involves characterization of source areas and surface water transport mechanisms and identification of applicable regulations. System components include: erosion control sediment control, flow attenuation, and management of contaminated water. Combinations of these components may be utilized during actual construction and remediation to obtain optimum control. Monitoring is performed during implementation in order to assess the effectiveness of control measures. This management scheme provides for comprehensive management of surface water at this site by providing control and/or treatment to appropriate standards. Although some treatment methodologies for contaminated water are specific to site contaminants, this comprehensive program provides a management approach which is applicable to many remedial projects in order to minimize contaminant release and meet Clean Water Act requirements

  13. Sedimentation and fouling of optical surfaces at the ANTARES site

    Science.gov (United States)

    ANTARES Collaboration; CAU CEFREM Collaboration; Amram, P.; Anghinolfi, M.; Anvar, S.; Ardellier-Desages, F. E.; Aslanides, E.; Aubert, J.-J.; Azoulay, R.; Bailey, D.; Basa, S.; Battaglieri, M.; Bellotti, R.; Beltramelli, J.; Benhammou, Y.; Berthier, R.; Bertin, V.; Billault, M.; Blaes, R.; Bland, R. W.; Blondeau, F.; de Botton, N.; Boulesteix, J.; Brooks, C. B.; Brunner, J.; Cafagna, F.; Calzas, A.; Capone, A.; Caponetto, L.; Cârloganu, C.; Carmona, E.; Carr, J.; Cartwright, S. L.; Cecchini, S.; Ciacio, F.; Circella, M.; Compère, C.; Cooper, S.; Coyle, P.; Cuneo, S.; Danilov, M.; van Dantzig, R.; de Marzo, C.; Destelle, J.-J.; de Vita, R.; Dispau, G.; Druillole, F.; Engelen, J.; Feinstein, F.; Ferdi, C.; Festy, D.; Fopma, J.; Gallone, J.-M.; Giacomelli, G.; Goret, P.; Gournay, J.-F.; Hallewell, G.; Heijboer, A.; Hernández-Rey, J. J.; Hubbard, J. R.; Jaquet, M.; de Jong, M.; Karolak, M.; Keller, P.; Kooijman, P.; Kouchner, A.; Kudryavtsev, V. A.; Lafoux, H.; Lagier, P.; Lamare, P.; Languillat, J.-C.; Laubier, L.; Laugier, J.-P.; Leilde, B.; Le Provost, H.; Le van Suu, A.; Lo Nigro, L.; Lo Presti, D.; Loucatos, S.; Louis, F.; Lyashuk, V.; Magnier, P.; Marcelin, M.; Margiotta, A.; Masullo, R.; Mazéas, F.; Mazeau, B.; Mazure, A.; McMillan, J. E.; Migneco, E.; Millot, C.; Mols, P.; Montanet, F.; Montaruli, T.; Moscoso, L.; Musumeci, M.; Nezri, E.; Nooren, G. J.; Oberski, J. E. J.; Olivetto, C.; Oppelt-Pohl, A.; Palanque-Delabrouille, N.; Papaleo, R.; Payre, P.; Perrin, P.; Petruccetti, M.; Petta, C.; Piattelli, P.; Poinsignon, J.; Potheau, R.; Queinec, Y.; Racca, C.; Raia, G.; Randazzo, N.; Rethore, F.; Riccobene, G.; Ricol, J.-S.; Ripani, M.; Roca-Blay, V.; Romeyer, A.; Rostovstev, A.; Russo, G. V.; Sacquin, Y.; Salusti, E.; Schuller, J.-P.; Schuster, W.; Soirat, J.-P.; Souvorova, O.; Spooner, N. J. C.; Spurio, M.; Stolarczyk, T.; Stubert, D.; Taiuti, M.; Tao, C.; Thompson, L. F.; Tilav, S.; Triay, R.; Usik, A.; Valdy, P.; Valente, V.; Varlamov, I.; Vaudaine, G.; Vernin, P.; Vladimirsky, E.; Vorobiev, M.; de Witt Huberts, P.; de Wolf, E.; Zakharov, V.; Zavatarelli, S.; Zornoza, Juan de Dios; Zún~Iga, J.; Aloïsi, J.-C.; Kerhervé, Ph.; Monaco, A.

    2003-05-01

    ANTARES is a project leading towards the construction and deployment of a neutrino telescope in the deep Mediterranean Sea. The telescope will use an array of photomultiplier tubes to detect the Cherenkov light emitted by muons resulting from the interaction with matter of high energy neutrinos. In the vicinity of the deployment site the ANTARES Collaboration has performed a series of in situ measurements to study the change in light transmission through glass surfaces during immersions of several months. The average loss of light transmission is estimated to be only ~2% at the equator of a glass sphere one year after deployment. It decreases with increasing zenith angle, and tends to saturate with time. The transmission loss, therefore, is expected to remain small for the several year lifetime of the ANTARES detector whose optical modules are oriented downwards. The measurements were complemented by the analysis of the 210Pb activity profile in sediment cores and the study of biofouling on glass plates. Despite a significant sedimentation rate at the site, in the 0.02-0.05 cmyr-1 range, the sediments adhere loosely to the glass surfaces and can be washed off by water currents. Further, fouling by deposits of light-absorbing particulates is only significant for surfaces facing upwards.

  14. Improvement of surface acidity and structural regularity of Zr-modified mesoporous MCM-41

    Energy Technology Data Exchange (ETDEWEB)

    Chen, L.F. [Departamento de Ciencias Basicas, Universidad Autonoma Metropolitana-A, Av. San Pablo 180, Col. Reynosa-Tamaulipas, 02200 Mexico D.F. (Mexico)]. E-mail: chenlf2001@yahoo.com; Norena, L.E. [Departamento de Ciencias Basicas, Universidad Autonoma Metropolitana-A, Av. San Pablo 180, Col. Reynosa-Tamaulipas, 02200 Mexico D.F. (Mexico); Navarrete, J. [Grupo de Molecular Ingenieria, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, 07730 Mexico D.F. (Mexico); Wang, J.A. [Laboratorio de Catalisis y Materiales, SEPI-ESIQIE, Instituto Politecnico Nacional, Av. Politecnico S/N, Col. Zacatenco, 07738 Mexico D.F. (Mexico)

    2006-06-10

    This work reports the synthesis and surface characterization of a Zr-modified mesoporous MCM-41 solid with an ordered hexagonal arrangement, prepared through a templated synthesis route, using cetyltrimethylammonium chloride as the template. The surface features, crystalline structure, textural properties and surface acidity of the materials were characterized by in situ Fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), N{sub 2} physisorption isotherms, {sup 29}Si MAS-NMR and in situ FT-IR of pyridine adsorption. It is evident that the surfactant cations inserted into the network of the solids during the preparation could be removed by calcination of the sample above 500 deg. C. The resultant material showed a large surface area of 680.6 m{sup 2} g{sup -1} with a uniform pore diameter distribution in a very narrow range centered at approximately 2.5 nm. Zirconium incorporation into the Si-MCM-41 framework, confirmed by {sup 29}Si MAS-NMR analysis, increased not only the wall thickness of the mesopores but also the long-range order of the periodically hexagonal structure. Both, Lewis and Broensted acid sites, were formed on the surface of the Zr-modified MCM-41 solid. Compared to Si-MCM-41 on which only very weak Lewis acid sites were formed, the densities of both Lewis and Broensted acid sites and the strength of the acidity on the Zr-modified sample were significantly increased, indicating that the incorporation of zirconium greatly enhances the acidity of the material.

  15. Description of surface hydrology and near-surface hydrogeology at Forsmark. Site descriptive modelling SDM. Site Forsmark

    International Nuclear Information System (INIS)

    Johansson, Per-Olof

    2008-12-01

    This report describes the modelling of the surface hydrology and near-surface hydrogeology that was performed for the final site descriptive model of Forsmark produced in the site investigation stage, SDM-Site Forsmark. The comprehensive investigation and monitoring programme forms a strong basis for the developed conceptual and descriptive model of the hydrological and near-surface hydrological system of the site investigation area. However, there are some remaining uncertainties regarding the interaction of deep and near-surface groundwater and surface water of importance for the understanding of the system: The groundwaters in till below Lake Eckarfjaerden, Lake Gaellbotraesket, Lake Fiskarfjaerden and Lake Bolundsfjaerden have high salinities. The hydrological and hydrochemical interpretations indicate that these waters are relict waters of mainly marine origin. From the perspective of the overall water balance, the water below the central parts of the lakes can be considered as stagnant. However, according to the hydrochemical interpretation, these waters also contain weak signatures of deep saline water. Rough chloride budget calculations for the Gaellbotraesket depression also raise the question of a possible upward flow of deep groundwater. No absolute conclusion can be drawn from the existing data analyses regarding the key question of whether there is a small ongoing upward flow of deep saline water. However, Lake Bolundsfjaerden is an exception where the clear downward flow gradient from the till to the bedrock excludes the possibility of an active deep saline source. The available data indicate that there are no discharge areas for flow systems involving deep bedrock groundwater in the northern part of the tectonic lens, where the repository is planned to be located (the so-called 'target area'). However, it can not be excluded that such discharge areas exist. Data indicate that the prevailing downward vertical flow gradients from the QD to the bedrock

  16. Description of surface hydrology and near-surface hydrogeology at Forsmark. Site descriptive modelling SDM. Site Forsmark

    Energy Technology Data Exchange (ETDEWEB)

    Johansson, Per-Olof (Artesia Grundvattenkonsult AB, Taeby (Sweden))

    2008-12-15

    This report describes the modelling of the surface hydrology and near-surface hydrogeology that was performed for the final site descriptive model of Forsmark produced in the site investigation stage, SDM-Site Forsmark. The comprehensive investigation and monitoring programme forms a strong basis for the developed conceptual and descriptive model of the hydrological and near-surface hydrological system of the site investigation area. However, there are some remaining uncertainties regarding the interaction of deep and near-surface groundwater and surface water of importance for the understanding of the system: The groundwaters in till below Lake Eckarfjaerden, Lake Gaellbotraesket, Lake Fiskarfjaerden and Lake Bolundsfjaerden have high salinities. The hydrological and hydrochemical interpretations indicate that these waters are relict waters of mainly marine origin. From the perspective of the overall water balance, the water below the central parts of the lakes can be considered as stagnant. However, according to the hydrochemical interpretation, these waters also contain weak signatures of deep saline water. Rough chloride budget calculations for the Gaellbotraesket depression also raise the question of a possible upward flow of deep groundwater. No absolute conclusion can be drawn from the existing data analyses regarding the key question of whether there is a small ongoing upward flow of deep saline water. However, Lake Bolundsfjaerden is an exception where the clear downward flow gradient from the till to the bedrock excludes the possibility of an active deep saline source. The available data indicate that there are no discharge areas for flow systems involving deep bedrock groundwater in the northern part of the tectonic lens, where the repository is planned to be located (the so-called 'target area'). However, it can not be excluded that such discharge areas exist. Data indicate that the prevailing downward vertical flow gradients from the QD to

  17. Surface and interlayer base-characters in lepidocrocite titanate: The adsorption and intercalation of fatty acid

    Energy Technology Data Exchange (ETDEWEB)

    Maluangnont, Tosapol, E-mail: tosapol.ma@kmitl.ac.th [College of Nanotechnology, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Catalytic Chemistry Research Unit, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Arsa, Pornanan [Catalytic Chemistry Research Unit, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Department of Chemistry, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Limsakul, Kanokporn; Juntarachairot, Songsit; Sangsan, Saithong [Department of Chemistry, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Gotoh, Kazuma [Graduate School of Natural Science & Technology, Okayama University, 3-1-1 Tsushima-naka, Okayama 700-8530 (Japan); Sooknoi, Tawan, E-mail: kstawan@gmail.com [Catalytic Chemistry Research Unit, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Department of Chemistry, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand)

    2016-06-15

    While layered double hydroxides (LDHs) with positively-charged sheets are well known as basic materials, layered metal oxides having negatively-charged sheets are not generally recognized so. In this article, the surface and interlayer base-characters of O{sup 2−} sites in layered metal oxides have been demonstrated, taking lepidocrocite titanate K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} as an example. The low basicity (0.04 mmol CO{sub 2}/g) and low desorption temperature (50–300 °C) shown by CO{sub 2}− TPD suggests that O{sup 2−} sites at the external surfaces is weakly basic, while those at the interlayer space are mostly inaccessible to CO{sub 2}. The liquid-phase adsorption study, however, revealed the uptake as much as 37% by mass of the bulky palmitic acid (C{sub 16} acid). The accompanying expansion of the interlayer space by ~0.1 nm was detected by PXRD and TEM. In an opposite manner to the external surfaces, the interlayer O{sup 2−} sites can deprotonate palmitic acid, forming the salt (i.e., potassium palmitate) occluded between the sheets. Two types of basic sites are proposed based on ultrafast {sup 1}H MAS NMR and FTIR results. The interlayer basic sites in lepidocrocite titanate leads to an application of this material as a selective and stable two-dimensional (2D) basic catalyst, as demonstrated by the ketonization of palmitic acid into palmitone (C{sub 31} ketone). Tuning of the catalytic activity by varying the type of metal (Zn, Mg, and Li) substituting at Ti{sup IV} sites was also illustrated. - Graphical abstract: Interlayer basic sites in lepidocrocite titanate, K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4}, lead to an intercalation of palmitic acid with a layer expansion. Display Omitted - Highlights: • K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} intercalates palmitic acid, forming the occluded potassium salt. • The interlayer expansion is evidenced by PXRD patterns and TEM image. • Two types of basic sites are deduced from ultrafast

  18. Surface and interlayer base-characters in lepidocrocite titanate: The adsorption and intercalation of fatty acid

    International Nuclear Information System (INIS)

    Maluangnont, Tosapol; Arsa, Pornanan; Limsakul, Kanokporn; Juntarachairot, Songsit; Sangsan, Saithong; Gotoh, Kazuma; Sooknoi, Tawan

    2016-01-01

    While layered double hydroxides (LDHs) with positively-charged sheets are well known as basic materials, layered metal oxides having negatively-charged sheets are not generally recognized so. In this article, the surface and interlayer base-characters of O 2− sites in layered metal oxides have been demonstrated, taking lepidocrocite titanate K 0.8 Zn 0.4 Ti 1.6 O 4 as an example. The low basicity (0.04 mmol CO 2 /g) and low desorption temperature (50–300 °C) shown by CO 2 − TPD suggests that O 2− sites at the external surfaces is weakly basic, while those at the interlayer space are mostly inaccessible to CO 2 . The liquid-phase adsorption study, however, revealed the uptake as much as 37% by mass of the bulky palmitic acid (C 16 acid). The accompanying expansion of the interlayer space by ~0.1 nm was detected by PXRD and TEM. In an opposite manner to the external surfaces, the interlayer O 2− sites can deprotonate palmitic acid, forming the salt (i.e., potassium palmitate) occluded between the sheets. Two types of basic sites are proposed based on ultrafast 1 H MAS NMR and FTIR results. The interlayer basic sites in lepidocrocite titanate leads to an application of this material as a selective and stable two-dimensional (2D) basic catalyst, as demonstrated by the ketonization of palmitic acid into palmitone (C 31 ketone). Tuning of the catalytic activity by varying the type of metal (Zn, Mg, and Li) substituting at Ti IV sites was also illustrated. - Graphical abstract: Interlayer basic sites in lepidocrocite titanate, K 0.8 Zn 0.4 Ti 1.6 O 4 , lead to an intercalation of palmitic acid with a layer expansion. Display Omitted - Highlights: • K 0.8 Zn 0.4 Ti 1.6 O 4 intercalates palmitic acid, forming the occluded potassium salt. • The interlayer expansion is evidenced by PXRD patterns and TEM image. • Two types of basic sites are deduced from ultrafast 1 H MAS NMR. • Lepidocrocite titanate catalyses ketonization of palmitic acid to palmitone and

  19. Numerical modelling of surface hydrology and near-surface hydrogeology at Forsmark. Site descriptive modelling SDM. Site Forsmark

    Energy Technology Data Exchange (ETDEWEB)

    Bosson, Emma (Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)); Gustafsson, Lars-Goeran; Sassner, Mona (DHI Sverige AB, Stockholm (Sweden))

    2008-09-15

    SKB is currently performing site investigations at two potential sites for a final repository for spent nuclear fuel. This report presents results of water flow and solute transport modelling of the Forsmark site. The modelling reported in this document focused on the near-surface groundwater, i.e. groundwater in Quaternary deposits and shallow rock, and surface water systems, and was performed using the MIKE SHE tool. The most recent site data used in the modelling were delivered in the Forsmark 2.3 dataset, which had its 'data freeze' on March 31, 2007. The present modelling is performed in support of the final version of the Forsmark site description that is produced during the site investigation phase. In this work, the hydrological modelling system MIKE SHE has been used to describe near-surface groundwater flow and the contact between groundwater and surface water at the Forsmark site. The surface water system at Forsmark is described with the one-dimensional 'channel flow' modelling tool MIKE 11, which is fully and dynamically integrated with MIKE SHE. The MIKE SHE model was updated with data from the F2.3 data freeze. The main updates concerned the geological description of the saturated zone and the time series data on water levels and surface water discharges. The time series data used as input data and for calibration and validation was extended until the Forsmark 2.3 data freeze (March 31, 2007). The present work can be subdivided into the following four parts: 1. Update of the numerical flow model. 2. Sensitivity analysis and calibration of the model parameters. 3. Validation of the calibrated model, followed by evaluation and identification of discrepancies between measurements and model results. 4. Additional sensitivity analysis and calibration in order to resolve the problems identified in point three above. The main actions taken during the calibration can be summarised as follows: 1. The potential evapotranspiration was

  20. Surface and interlayer base-characters in lepidocrocite titanate: The adsorption and intercalation of fatty acid

    Science.gov (United States)

    Maluangnont, Tosapol; Arsa, Pornanan; Limsakul, Kanokporn; Juntarachairot, Songsit; Sangsan, Saithong; Gotoh, Kazuma; Sooknoi, Tawan

    2016-06-01

    While layered double hydroxides (LDHs) with positively-charged sheets are well known as basic materials, layered metal oxides having negatively-charged sheets are not generally recognized so. In this article, the surface and interlayer base-characters of O2- sites in layered metal oxides have been demonstrated, taking lepidocrocite titanate K0.8Zn0.4Ti1.6O4 as an example. The low basicity (0.04 mmol CO2/g) and low desorption temperature (50-300 °C) shown by CO2- TPD suggests that O2- sites at the external surfaces is weakly basic, while those at the interlayer space are mostly inaccessible to CO2. The liquid-phase adsorption study, however, revealed the uptake as much as 37% by mass of the bulky palmitic acid (C16 acid). The accompanying expansion of the interlayer space by ~0.1 nm was detected by PXRD and TEM. In an opposite manner to the external surfaces, the interlayer O2- sites can deprotonate palmitic acid, forming the salt (i.e., potassium palmitate) occluded between the sheets. Two types of basic sites are proposed based on ultrafast 1H MAS NMR and FTIR results. The interlayer basic sites in lepidocrocite titanate leads to an application of this material as a selective and stable two-dimensional (2D) basic catalyst, as demonstrated by the ketonization of palmitic acid into palmitone (C31 ketone). Tuning of the catalytic activity by varying the type of metal (Zn, Mg, and Li) substituting at TiIV sites was also illustrated.

  1. Sites that Can Produce Left-handed Amino Acids in the Supernova Neutrino Amino Acid Processing Model

    Science.gov (United States)

    Boyd, Richard N.; Famiano, Michael A.; Onaka, Takashi; Kajino, Toshitaka

    2018-03-01

    The Supernova Neutrino Amino Acid Processing model, which uses electron anti-neutrinos and the magnetic field from a source object such as a supernova to selectively destroy one amino acid chirality, is studied for possible sites that would produce meteoroids with partially left-handed amino acids. Several sites appear to provide the requisite magnetic field intensities and electron anti-neutrino fluxes. These results have obvious implications for the origin of life on Earth.

  2. Human Mars Landing Site and Impacts on Mars Surface Operations

    Science.gov (United States)

    Hoffman, Stephen J.; Bussey, Ben

    2016-01-01

    This paper describes NASA's initial steps for identifying and evaluating candidate Exploration Zones (EZs) and Regions of Interests (ROIs) for the first human crews that will explore the surface of Mars. NASA's current effort to define the exploration of this planet by human crews, known as the Evolvable Mars Campaign (EMC), provides the context in which these EZs and ROIs are being considered. The EMC spans all aspects of a human Mars mission including launch from Earth, transit to and from Mars, and operations on the surface of Mars. An EZ is a collection of ROIs located within approximately 100 kilometers of a centralized landing site. ROIs are areas relevant for scientific investigation and/or development/maturation of capabilities and resources necessary for a sustainable human presence. The EZ also contains one or more landing sites and a habitation site that will be used by multiple human crews during missions to explore and utilize the ROIs within the EZ. With the EMC as a conceptual basis, the EZ model has been refined to a point where specific site selection criteria for scientific exploration and in situ resource utilization can be defined. In 2015 these criteria were distributed to the planetary sciences community and the in situ resource utilization and civil engineering communities as part of a call for EZ proposals. The resulting "First Landing Site/Exploration Zone Workshop for Human Missions to the Surface of Mars" was held in October 2015 during which 47 proposals for EZs and ROIs were presented and discussed. Proposed locations spanned all longitudes and all allowable latitudes (+/- 50 degrees). Proposed justification for selecting one of these EZs also spanned a significant portion of the scientific and resource criteria provided to the community. Several important findings resulted from this Workshop including: (a) a strong consensus that, at a scale of 100 km (radius), multiple places on Mars exist that have both sufficient scientific interest

  3. Surface interactions of cesium and boric acid with stainless steel

    International Nuclear Information System (INIS)

    Grossman-Canfield, N.

    1995-08-01

    In this report, the effects of cesium hydroxide and boric acid on oxidized stainless steel surfaces at high temperatures and near one atmosphere of pressure are investigated. This is the first experimental investigation of this chemical system. The experimental investigations were performed using a mass spectrometer and a mass electrobalance. Surfaces from the different experiments were examined using a scanning electron microscope to identify the presence of deposited species, and electron spectroscopy for chemical analysis to identify the species deposited on the surface. A better understanding of the equilibrium thermodynamics, the kinetics of the steam-accelerated volatilizations, and the release kinetics are gained by these experiments. The release rate is characterized by bulk vaporization/gas-phase mass transfer data. The analysis couples vaporization, deposition, and desorption of the compounds formed by cesium hydroxide and boric acid under conditions similar to what is expected during certain nuclear reactor accidents. This study shows that cesium deposits on an oxidized stainless steel surface at temperatures between 1000 and 1200 Kelvin. Cesium also deposits on stainless steel surfaces coated with boric oxide in the same temperature ranges. The mechanism for cesium deposition onto the oxide layer was found to involve the chemical reaction between cesium and chromate. Some revaporization in the cesium hydroxide-boric acid system was observed. It has been found that under the conditions given, boric acid will react with cesium hydroxide to form cesium metaborate. A model is proposed for this chemical reaction

  4. Caracterização ácido-base da superfície de espécies mistas da alga Spirulina através de titulação potenciométrica e modelo de distribuição de sítios discretos Acid base characterization of the surface of mixed species of algae Spirulin by potentiometric titration and discrete site distribution model

    Directory of Open Access Journals (Sweden)

    Elizabete C. de Lima

    1999-09-01

    Full Text Available Acid base properties of mixed species of the microalgae Spirulina were studied by potentiometric titration in medium of 0.01 and 0.10 mols L-1 NaNO3 at 25.0±0.10 C using modified Gran functions or nonlinear regression techniques for data fitting. The discrete site distribution model was used, permitting the characterization of five classes of ionizable sites in both ionic media. This fact suggests that the chemical heterogeneity of the ionizable sites on the cell surface plays a major role on the acid-base properties of the suspension in comparison to electrostatic effects due to charge-charge interactions. The total of ionizable sites were 1.75±0.10 and 1.86±0.20 mmolsg-1 in ionic media of 0.01 and 0.10 mols L-1 NaNO3, respectively. A major contribution of carboxylic groups was observed with an average 34 and 22% of ionizable sites being titrated with conditional pcKa of 4.0 and 5.4, respectively. The remaining 44% of ionizable sites were divided in three classes with averaged conditional pcKa of 6.9, 8.7 and 10.12, which may be assigned respectively to imidazolic, aminic, and phenolic functionalities.

  5. Modeling the Acid-Base Properties of Montmorillonite Edge Surfaces.

    Science.gov (United States)

    Tournassat, Christophe; Davis, James A; Chiaberge, Christophe; Grangeon, Sylvain; Bourg, Ian C

    2016-12-20

    The surface reactivity of clay minerals remains challenging to characterize because of a duality of adsorption surfaces and mechanisms that does not exist in the case of simple oxide surfaces: edge surfaces of clay minerals have a variable proton surface charge arising from hydroxyl functional groups, whereas basal surfaces have a permanent negative charge arising from isomorphic substitutions. Hence, the relationship between surface charge and surface potential on edge surfaces cannot be described using the Gouy-Chapman relation, because of a spillover of negative electrostatic potential from the basal surface onto the edge surface. While surface complexation models can be modified to account for these features, a predictive fit of experimental data was not possible until recently, because of uncertainty regarding the densities and intrinsic pK a values of edge functional groups. Here, we reexamine this problem in light of new knowledge on intrinsic pK a values obtained over the past decade using ab initio molecular dynamics simulations, and we propose a new formalism to describe edge functional groups. Our simulation results yield reasonable predictions of the best available experimental acid-base titration data.

  6. The Lusi eruption site: insights from surface and subsurface investigations

    Science.gov (United States)

    Mazzini, A.

    2017-12-01

    The Indonesian Lusi eruption has been spewing boiling water, gas, and sediments since the 29th of May 2006. Initially, numerous aligned eruptions sites appeared along the Watukosek fault system (WFS) that was reactivated after the Yogyakarta earthquake occurring the 27th of May in the Java Island. Within weeks several villages were submerged by boiling mud. The most prominent eruption site was named Lusi. To date Lusi is still active and an area of 7 km2is covered by mud. Since its birth Lusi erupted with a pulsating behaviour. In the framework of the ERC grant "Lusi Lab" we conducted several years of monitoring and regional investigations coupling surface sampling and subsurface imaging in the region around Lusi. Ambient noise tomography studies, obtained with a local network of 31 stations, revealed for the first time subsurface images of the Lusi region and the adjacent Arjuno-Welirang (AW) volcanic complex. Results show that below the AW volcanic complex are present 5km deep magma chambers that are connected, through a defined corridor, with the roots of the Lusi eruption site. The Lusi subsurface shows the presence of a defined vertical hydrothermal plume that extends to at least 5km. Chemical analyses of the seeping fluids sampled from 1) the Lusi plume (using a specifically designed drone), 2) the region around Lusi, and 3) the fumaroles and the hydro thermal springs of AW, revealed striking similarities. More specifically a mantellic signature of the Lusi fluids confirms the scenario that Lusi represents a magmatic-driven hydrothermal system hosted in sedimentary basin. Seismic profiles interpretation, surface mapping, and fluid sampling show that the WFS, connecting AW and extending towards the NE of Java, acted as a preferential pathway for the igneous intrusion and fluids migration towards the subsurface. Petrography and dating of the clasts erupted at Lusi record high temperatures and indicate that the roots of the active conduit extend to at least 5km

  7. Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site

    International Nuclear Information System (INIS)

    Shen, Xiangjian; Zhang, Zhaojun; Zhang, Dong H.

    2016-01-01

    Understanding the role of reactant ro-vibrational degrees of freedom (DOFs) in reaction dynamics of polyatomic molecular dissociation on metal surfaces is of great importance to explore the complex chemical reaction mechanism. Here, we present an expensive quantum dynamics study of the dissociative chemisorption of CH 4 on a rigid Ni(111) surface by developing an accurate nine-dimensional quantum dynamical model including the DOF of azimuth. Based on a highly accurate fifteen-dimensional potential energy surface built from first principles, our simulations elucidate that the dissociation probability of CH 4 has the strong dependence on azimuth and surface impact site. Some improvements are suggested to obtain the accurate dissociation probability from quantum dynamics simulations.

  8. Modification of carbon fiber surfaces via grafting with Meldrum's acid

    Science.gov (United States)

    Cuiqin, Fang; Jinxian, Wu; Julin, Wang; Tao, Zhang

    2015-11-01

    The mechanism of Meldrum's acid modifying carbon fiber surfaces was investigated in this work. The existing carbonyl groups of carbon fibers were grafted with Meldrum's acid to create carboxylic functionalized surfaces. The surface functionalization effect was detected with X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), atomic force microscopy (AFM), and thermogravimetric analysis (TGA). The XPS results showed that the relative content of carboxylic groups on carbon fiber surfaces was increased from initial 1.41% to 7.84%, however, that of carbonyl groups was decreased from 23.11% to 13.28% after grafting reaction. The SEM, AFM and TGA results indicated that the surfaces of carbon fibers neither etched nor generated coating. The tensile strength of carbon fibers was preserved after grafting reaction according to single fiber tensile strength tests. The fibers were well combined with matrix and the maximal interlaminar shear strength (ILSS) of carbon fiber/epoxy resin composites was sharply increased approximately 74% after functionalization. The effects of acetic acid and sonication on the degree of the surface functionalization were also studied.

  9. Photoinduced Charge Transfer from Titania to Surface Doping Site.

    Science.gov (United States)

    Inerbaev, Talgat; Hoefelmeyer, James D; Kilin, Dmitri S

    2013-05-16

    We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO 2 . Charge transfer from the photo-excited TiO 2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO 2 nanorod and catalytic site. A slab of TiO 2 represents a fragment of TiO 2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO 2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO 2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting.

  10. Surface plasmon resonance sensing of nucleic acids: A review

    Czech Academy of Sciences Publication Activity Database

    Šípová, Hana; Homola, Jiří

    -, č. 773 (2013), s. 9-23 ISSN 0003-2670 R&D Projects: GA MŠk(CZ) LH11102 Institutional support: RVO:67985882 Keywords : Surface plasmon resonance * Nucleic acid * Biosensor Subject RIV: JB - Sensors, Measurment, Regulation Impact factor: 4.517, year: 2013

  11. Source effects on surface waves from Nevada Test Site explosions

    International Nuclear Information System (INIS)

    Patton, H.J.; Vergino, E.S.

    1981-11-01

    Surface waves recorded on the Lawrence Livermore National Laboratory (LLNL) digital network have been used to study five underground nuclear explosions detonated in Yucca Valley at the Nevada Test Site. The purpose of this study is to characterize the reduced displacement potential (RDP) at low frequencies and to test secondary source models of underground explosions. The observations consist of Rayleigh- and Love-wave amplitude and phase spectra in the frequency range 0.03 to 0.16 Hz. We have found that Rayleigh-wave spectral amplitudes are modeled well by a RDP with little or no overshoot for explosions detonated in alluvium and tuff. On the basis of comparisons between observed and predicted source phase, the spall closure source proposed by Viecelli does not appear to be a significant source of Rayleigh waves that reach the far field. We tested two other secondary source models, the strike-slip, tectonic strain release model proposed by Toksoez and Kehrer and the dip-slip thrust model of Masse. The surface-wave observations do not provide sufficient information to discriminate between these models at the low F-values (0.2 to 0.8) obtained for these explosions. In the case of the strike-slip model, the principal stress axes inferred from the fault slip angle and strike angle are in good agreement with the regional tectonic stress field for all but one explosion, Nessel. The results of the Nessel explosion suggest a mechanism other than tectonic strain release

  12. Hydrous ferric oxide: evaluation of Cd-HFO surface complexation models combining Cd(K) EXAFS data, potentiometric titration results, and surface site structures identified from mineralogical knowledge.

    Science.gov (United States)

    Spadini, Lorenzo; Schindler, Paul W; Charlet, Laurent; Manceau, Alain; Vala Ragnarsdottir, K

    2003-10-01

    The surface properties of ferrihydrite were studied by combining wet chemical data, Cd(K) EXAFS data, and a surface structure and protonation model of the ferrihydrite surface. Acid-base titration experiments and Cd(II)-ferrihydrite sorption experiments were performed within 3titration data could be adequately modeled by triple bond Fe- OH(2)(+1/2)-H(+)triple bond Fe-OH(-1/2),logk((int))=-8.29, assuming the existence of a unique intrinsic microscopic constant, logk((int)), and consequently the existence of a single significant type of acid-base reactive functional groups. The surface structure model indicates that these groups are terminal water groups. The Cd(II) data were modeled assuming the existence of a single reactive site. The model fits the data set at low Cd(II) concentration and up to 50% surface coverage. At high coverage more Cd(II) ions than predicted are adsorbed, which is indicative of the existence of a second type of site of lower affinity. This agrees with the surface structure and protonation model developed, which indicates comparable concentrations of high- and low-affinity sites. The model further shows that for each class of low- and high-affinity sites there exists a variety of corresponding Cd surface complex structure, depending on the model crystal faces on which the complexes develop. Generally, high-affinity surface structures have surface coordinations of 3 and 4, as compared to 1 and 2 for low-affinity surface structures.

  13. Protein-protein interaction site predictions with three-dimensional probability distributions of interacting atoms on protein surfaces.

    Directory of Open Access Journals (Sweden)

    Ching-Tai Chen

    Full Text Available Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins and were tested on an independent dataset (consisting of 142 proteins. The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted

  14. Protein-Protein Interaction Site Predictions with Three-Dimensional Probability Distributions of Interacting Atoms on Protein Surfaces

    Science.gov (United States)

    Chen, Ching-Tai; Peng, Hung-Pin; Jian, Jhih-Wei; Tsai, Keng-Chang; Chang, Jeng-Yih; Yang, Ei-Wen; Chen, Jun-Bo; Ho, Shinn-Ying; Hsu, Wen-Lian; Yang, An-Suei

    2012-01-01

    Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI) sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins) and were tested on an independent dataset (consisting of 142 proteins). The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted correctly with

  15. Laser Surface Alloying of Aluminum for Improving Acid Corrosion Resistance

    Science.gov (United States)

    Jiru, Woldetinsay Gutu; Sankar, Mamilla Ravi; Dixit, Uday Shanker

    2018-04-01

    In the present study, laser surface alloying of aluminum with magnesium, manganese, titanium and zinc, respectively, was carried out to improve acid corrosion resistance. Laser surface alloying was conducted using 1600 and 1800 W power source using CO2 laser. Acid corrosion resistance was tested by dipping the samples in a solution of 2.5% H2SO4 for 200 h. The weight loss due to acid corrosion was reduced by 55% for AlTi, 41% for AlMg alloy, 36% for AlZn and 22% for AlMn alloy. Laser surface alloyed samples offered greater corrosion resistance than the aluminum substrate. It was observed that localized pitting corrosion was the major factor to damage the surface when exposed for a long time. The hardness after laser surface alloying was increased by a factor of 8.7, 3.4, 2.7 and 2 by alloying with Mn, Mg, Ti and Zn, respectively. After corrosion test, hardness was reduced by 51% for AlTi sample, 40% for AlMg sample, 41.4% for AlMn sample and 33% for AlZn sample.

  16. Acid-base status of soils in groundwater discharge zones — relation to surface water acidification

    Science.gov (United States)

    Norrström, Ann Catrine

    1995-08-01

    Critical load calculations have suggested that groundwater at depth of 2 m in Sweden is very sensitive to acid load. As environmental isotope studies have shown that most of the runoff in streams has passed through the soil, there is a risk in the near future of accelerated acidification of surface waters. To assess the importance of the last soil horizon of contact before discharge, the upper 0-0.2m of soils in seven discharge zones were analysed for pools of base cations, acidity and base saturation. The sites were about 3-4 m 2 in size and selected from two catchments exposed to different levels of acid deposition. The soils in the seven sites had high concentrations of exchangeable base cations and consequently high base saturation. The high correlation ( r2 = 0.74) between base saturation in the soils of the discharge zones and mean pH of the runoff waters suggested that the discharge zone is important for surface water acidification. The high pool of exchangeable base cations will buffer initially against the acid load. As the cation exchange capacity (meq dm -3) and base saturation were lower in the sites from the catchment receiving lower deposition, these streams may be more vulnerable to acidification in the near future. The high concentration of base cations in non-exchangeable fractions may also buffer against acidification as it is likely that some of these pools will become exchangeable with time.

  17. Surface acidity scales: Experimental measurements of Brønsted acidities on anatase TiO2 and comparison with coinage metal surfaces

    Science.gov (United States)

    Silbaugh, Trent L.; Boaventura, Jaime S.; Barteau, Mark A.

    2016-08-01

    The first quantitative surface acidity scale for Brønsted acids on a solid surface is presented through the use of titration-displacement and equilibrium experiments on anatase TiO2. Surface acidities of species on TiO2 correlated with gas phase acidities, as was previously observed in qualitative studies of Brønsted acid displacement on Ag(110), Cu(110) and Au(111). A 90% compression of the surface acidity scale relative to the gas phase was observed due to compensation from the covalent component of the conjugate base - surface bond. Adsorbed conjugate bases need not be completely anionic for correlations with gas phase acidities to hold. Positive and negative substituent effects, such as substituted fluorine and hydrocarbon sidechain dispersion interactions with the surface, may modify the surface acidity scale, in agreement with previous experimental and theoretical work on Au(111).

  18. Development of a new methodology for mitigating acid mine drainage (AMD) at reclaimed surface mines

    International Nuclear Information System (INIS)

    Ackman, T.E.; Kim, A.G.

    1993-01-01

    A 1.2 hectare (ha) experimental site located on a 14.5 ha reclaimed surface mine in Greene County, PA was injected with a 141 cubic meters (m 3 ) of fly ash and fluidized bed combustion (FBC) ash grout that included acid mine drainage (AMD) sludge. An evaluation of this AMD abatement approach by the Bureau of Mines found that the average net acidity and concentrations of several metal ions at the discharge seep and monitoring wells decreased after grouting. Changes in metal concentrations were assumed to be related to alkaline addition and/or encapsulation. Initial results indicate that this technique is potentially an effective AMD abatement method

  19. Prediction of protein modification sites of pyrrolidone carboxylic acid using mRMR feature selection and analysis.

    Directory of Open Access Journals (Sweden)

    Lu-Lu Zheng

    Full Text Available Pyrrolidone carboxylic acid (PCA is formed during a common post-translational modification (PTM of extracellular and multi-pass membrane proteins. In this study, we developed a new predictor to predict the modification sites of PCA based on maximum relevance minimum redundancy (mRMR and incremental feature selection (IFS. We incorporated 727 features that belonged to 7 kinds of protein properties to predict the modification sites, including sequence conservation, residual disorder, amino acid factor, secondary structure and solvent accessibility, gain/loss of amino acid during evolution, propensity of amino acid to be conserved at protein-protein interface and protein surface, and deviation of side chain carbon atom number. Among these 727 features, 244 features were selected by mRMR and IFS as the optimized features for the prediction, with which the prediction model achieved a maximum of MCC of 0.7812. Feature analysis showed that all feature types contributed to the modification process. Further site-specific feature analysis showed that the features derived from PCA's surrounding sites contributed more to the determination of PCA sites than other sites. The detailed feature analysis in this paper might provide important clues for understanding the mechanism of the PCA formation and guide relevant experimental validations.

  20. Fatty acid methyl ester profiles of bat wing surface lipids.

    Science.gov (United States)

    Pannkuk, Evan L; Fuller, Nathan W; Moore, Patrick R; Gilmore, David F; Savary, Brett J; Risch, Thomas S

    2014-11-01

    Sebocytes are specialized epithelial cells that rupture to secrete sebaceous lipids (sebum) across the mammalian integument. Sebum protects the integument from UV radiation, and maintains host microbial communities among other functions. Native glandular sebum is composed primarily of triacylglycerides (TAG) and wax esters (WE). Upon secretion (mature sebum), these lipids combine with minor cellular membrane components comprising total surface lipids. TAG and WE are further cleaved to smaller molecules through oxidation or host enzymatic digestion, resulting in a complex mixture of glycerolipids (e.g., TAG), sterols, unesterified fatty acids (FFA), WE, cholesteryl esters, and squalene comprising surface lipid. We are interested if fatty acid methyl ester (FAME) profiling of bat surface lipid could predict species specificity to the cutaneous fungal disease, white nose syndrome (WNS). We collected sebaceous secretions from 13 bat spp. using Sebutape(®) and converted them to FAME with an acid catalyzed transesterification. We found that Sebutape(®) adhesive patches removed ~6× more total lipid than Sebutape(®) indicator strips. Juvenile eastern red bats (Lasiurus borealis) had significantly higher 18:1 than adults, but 14:0, 16:1, and 20:0 were higher in adults. FAME profiles among several bat species were similar. We concluded that bat surface lipid FAME profiling does not provide a robust model predicting species susceptibility to WNS. However, these results provide baseline data that can be used for lipid roles in future ecological studies, such as life history, diet, or migration.

  1. Acidic deposition: State of science and technology. Report 15. Liming acidic surface waters. Final report

    International Nuclear Information System (INIS)

    Olem, H.; Thornelof, E.; Sandoy, S.; Schreiber, R.K.

    1990-09-01

    The document describes the science and technology of aquatic liming--a method for improving the water quality of acidic surface waters to restore or enhance fisheries. The report is a comprehensive compilation of years of research in North America and Europe by dozens of scientists. Several mitigation technologies--including those that have only been proposed--are critically evaluated along with the effects of liming on water chemistry and aquatic biota. Through these evaluations, the state of the science and technology of aquatic liming is identified for the reader. Whole-lake liming is now recognized as a valuable management tool for acidic surface waters and their fisheries. However, some liming technologies are considered experimental and will need further evaluation. Distinctions between technologies are included--as is the distinction between liming acidic surface waters and reducing acidifying emissions

  2. Effect of temperature on the acid-base properties of the alumina surface: microcalorimetry and acid-base titration experiments.

    Science.gov (United States)

    Morel, Jean-Pierre; Marmier, Nicolas; Hurel, Charlotte; Morel-Desrosiers, Nicole

    2006-06-15

    Sorption reactions on natural or synthetic materials that can attenuate the migration of pollutants in the geosphere could be affected by temperature variations. Nevertheless, most of the theoretical models describing sorption reactions are at 25 degrees C. To check these models at different temperatures, experimental data such as the enthalpies of sorption are thus required. Highly sensitive microcalorimeters can now be used to determine the heat effects accompanying the sorption of radionuclides on oxide-water interfaces, but enthalpies of sorption cannot be extracted from microcalorimetric data without a clear knowledge of the thermodynamics of protonation and deprotonation of the oxide surface. However, the values reported in the literature show large discrepancies and one must conclude that, amazingly, this fundamental problem of proton binding is not yet resolved. We have thus undertaken to measure by titration microcalorimetry the heat effects accompanying proton exchange at the alumina-water interface at 25 degrees C. Based on (i) the surface sites speciation provided by a surface complexation model (built from acid-base titrations at 25 degrees C) and (ii) results of the microcalorimetric experiments, calculations have been made to extract the enthalpic variations associated respectively to first and second deprotonation of the alumina surface. Values obtained are deltaH1 = 80+/-10 kJ mol(-1) and deltaH2 = 5+/-3 kJ mol(-1). In a second step, these enthalpy values were used to calculate the alumina surface acidity constants at 50 degrees C via the van't Hoff equation. Then a theoretical titration curve at 50 degrees C was calculated and compared to the experimental alumina surface titration curve. Good agreement between the predicted acid-base titration curve and the experimental one was observed.

  3. Surface 3-D reflection seismics - implementation at the Olkiluoto site

    Energy Technology Data Exchange (ETDEWEB)

    Saksa, P.; Lehtimaeki, T.; Heikkinen, E. [Poeyry Environment Oy, Vantaa (Finland)

    2007-03-15

    Posiva Oy takes care of the final disposal of spent nuclear fuel in Finland. In year 2001 Olkiluoto was selected for the site of final disposal. Construction of the underground research facility, ONKALO, is going on at the Olkiluoto site. The aim of this work was to study the possibilities for surface 3-D seismics and to review experiences for design before field work. The physical parameters and geometric properties of the site, as well as efficient survey layout and source arrangements, were considered in this work. Reflection seismics is most used geophysical investigation method in oil exploration and earth studies in sedimentary environment. Recently method has also been applied in crystalline bedrock for ore exploration and nuclear waste disposal site investigations. The advantage of the method is high accuracy combined with large depth of investigation. The principles of seismic 2-D and 3-D soundings are well known and advanced. 3-D sounding is a straightforward expansion of 2-D line based surveying. In investigation of crystalline bedrock, the high frequency wave sources and receivers, their right use in measurements and careful processing procedure (refraction static corrections in particular) are important. Using the site parameters in 2-D numerical modeling, two cases of faulted thin layer at depths of 200, 400 and 600 meters were studied. The first case was a layer with vertical dislocation (a ramp) and the other a layer having limited width of dislocated part. Central frequencies were 100, 200, 400 and 700 Hz. Results indicate that 10 - 20 m dislocation is recognizable, but for depths greater than 600 m, over 20 meters is required. Width of the dislocated part will affect the detectability of vertical displacement. At depths of 200 m and 400 m 10 - 50 m wide parts appear as point-like scatterers, wider areas have more continuity. Dislocations larger than 20 m can be seen. From depth of 600 m over 100 m wide parts are discernible, narrower are visible

  4. Surface 3-D reflection seismics - implementation at the Olkiluoto site

    International Nuclear Information System (INIS)

    Saksa, P.; Lehtimaeki, T.; Heikkinen, E.

    2007-03-01

    Posiva Oy takes care of the final disposal of spent nuclear fuel in Finland. In year 2001 Olkiluoto was selected for the site of final disposal. Construction of the underground research facility, ONKALO, is going on at the Olkiluoto site. The aim of this work was to study the possibilities for surface 3-D seismics and to review experiences for design before field work. The physical parameters and geometric properties of the site, as well as efficient survey layout and source arrangements, were considered in this work. Reflection seismics is most used geophysical investigation method in oil exploration and earth studies in sedimentary environment. Recently method has also been applied in crystalline bedrock for ore exploration and nuclear waste disposal site investigations. The advantage of the method is high accuracy combined with large depth of investigation. The principles of seismic 2-D and 3-D soundings are well known and advanced. 3-D sounding is a straightforward expansion of 2-D line based surveying. In investigation of crystalline bedrock, the high frequency wave sources and receivers, their right use in measurements and careful processing procedure (refraction static corrections in particular) are important. Using the site parameters in 2-D numerical modeling, two cases of faulted thin layer at depths of 200, 400 and 600 meters were studied. The first case was a layer with vertical dislocation (a ramp) and the other a layer having limited width of dislocated part. Central frequencies were 100, 200, 400 and 700 Hz. Results indicate that 10 - 20 m dislocation is recognizable, but for depths greater than 600 m, over 20 meters is required. Width of the dislocated part will affect the detectability of vertical displacement. At depths of 200 m and 400 m 10 - 50 m wide parts appear as point-like scatterers, wider areas have more continuity. Dislocations larger than 20 m can be seen. From depth of 600 m over 100 m wide parts are discernible, narrower are visible

  5. Land surface cleanup of plutonium at the Nevada Test Site

    International Nuclear Information System (INIS)

    Ebeling, L.L.; Evans, R.B.; Walsh, E.J.

    1991-01-01

    The Nevada Test Site (NTS) covers approximately 3300 km 2 of high desert and is located approximately 100 km northwest of Las Vegas, Nevada. Soil contaminated by plutonium exists on the NTS and surrounding areas from safety tests conducted in the 1950s and 1960s. About 150 curies of contamination have been measured over 1200 hectares of land surface. Most contamination is found in the top 5 cm of soil but may be found deep as 25 cm. The cost of conventional removal and disposal of the full soil volume has been estimated at over $500,000,000. This study is directed toward minimizing the volume of waste which must be further processed and disposed of by precisely controlling soil removal depth. The following soil removal machines were demonstrated at the NTS: (1) a CMI Corporation Model PR-500FL pavement profiler, (2) a CMI Corporation Model Tr-225B trimmer reclaimer, (3) a Caterpillar Model 623 elevating scraper equipped with laser depth control, (4) a Caterpillar Model 14G motor grader equipped with laser depth control, (5) a Caterpillar Model 637 auger scraper, and (6) a XCR Series Guzzler vacuum truck. 5 refs., 5 figs

  6. Chemical processes at the surface of various clays on acid-base titration

    International Nuclear Information System (INIS)

    Park, K. K.; Park, Y. S.; Jung, E. C.

    2010-01-01

    The chemical reaction of radionuclides at the interface between groundwater and geological mineral is an important process determining their retardation of transport through groundwater flow in a nuclear waste disposal. Clay minerals are major components of soil and argillaceous rock, and some of them are considered to be important base materials in the design of high-level nuclear waste repository due to their large swelling, low-permeability, large surface area, and strong and large sorption of radionuclides. Clay materials are phyllosilicates containing accessory minerals such as metal oxides, hydroxides, oxyhydroxides. Their structures are condensed 1:1 or 2:1 layers of tetrahedral SiO 3/2 OH and octahedral Al(OH) 6/2 sheets. An accurate knowledge about the properties of clay surface is required as a parameter for a long-term estimation of radionuclide retardation effects. Electric surface charge is a primary property determining ion exchange and surface complexation of radionuclides on its surface. The sources of electric surface charge are a permanent structural negative charge on a basal plane and a dissociable charge at an edge surface. Investigation of proton sorption is a prerequisite to the understanding of radionuclide sorption. The reactions on a permanently charged site and on an edge site are measured by an electrokinetic measurement and by potentiometric titration, respectively. However, side reactions such as complexation, proton/cation exchange, dissolution, hydrolysis, precipitation and re adsorption, and the reaction of secondary minerals hinder an experimental measurement of accurate acid-base properties. This presentation describes the pH change on dispersing various clays in water and adding acid, base or Eu(III) ion to these solutions, and the effect of Eu(III) ion on acid-base titration of clay solutions

  7. Chemical processes at the surface of various clays on acid-base titration

    Energy Technology Data Exchange (ETDEWEB)

    Park, K. K.; Park, Y. S.; Jung, E. C. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2010-10-15

    The chemical reaction of radionuclides at the interface between groundwater and geological mineral is an important process determining their retardation of transport through groundwater flow in a nuclear waste disposal. Clay minerals are major components of soil and argillaceous rock, and some of them are considered to be important base materials in the design of high-level nuclear waste repository due to their large swelling, low-permeability, large surface area, and strong and large sorption of radionuclides. Clay materials are phyllosilicates containing accessory minerals such as metal oxides, hydroxides, oxyhydroxides. Their structures are condensed 1:1 or 2:1 layers of tetrahedral SiO{sub 3/2}OH and octahedral Al(OH){sub 6/2} sheets. An accurate knowledge about the properties of clay surface is required as a parameter for a long-term estimation of radionuclide retardation effects. Electric surface charge is a primary property determining ion exchange and surface complexation of radionuclides on its surface. The sources of electric surface charge are a permanent structural negative charge on a basal plane and a dissociable charge at an edge surface. Investigation of proton sorption is a prerequisite to the understanding of radionuclide sorption. The reactions on a permanently charged site and on an edge site are measured by an electrokinetic measurement and by potentiometric titration, respectively. However, side reactions such as complexation, proton/cation exchange, dissolution, hydrolysis, precipitation and re adsorption, and the reaction of secondary minerals hinder an experimental measurement of accurate acid-base properties. This presentation describes the pH change on dispersing various clays in water and adding acid, base or Eu(III) ion to these solutions, and the effect of Eu(III) ion on acid-base titration of clay solutions

  8. Site specific incorporation of keto amino acids into proteins

    Science.gov (United States)

    Schultz, Peter G [La Jolla, CA; Wang, Lei [San Diego, CA

    2008-10-07

    Compositions and methods of producing components of protein biosynthetic machinery that include orthogonal tRNAs, orthogonal aminoacyl-tRNA synthetases, and orthogonal pairs of tRNAs/synthetases, which incorporate keto amino acids into proteins are provided. Methods for identifying these orthogonal pairs are also provided along with methods of producing proteins with keto amino acids using these orthogonal pairs.

  9. Hydrochemistry in surface water and shallow groundwater. Site descriptive modelling SDM-Site Forsmark

    Energy Technology Data Exchange (ETDEWEB)

    Troejbom, Mats (Mopelikan, Norrtaelje (SE)); Soederbaeck, Bjoern (Swedish Nuclear Fuel and Waste Management Co., Stockholm (SE)); Johansson, Per-Olof (Artesia Grundvattenkonsult AB, Taeby (SE))

    2007-10-15

    With a mathematical/statistical approach, a large number of visualisations and models reflect the hydrochemistry in the Forsmark area, with the intention to give an understanding of important processes and factors that affect the hydrochemistry in the surface systems. In order to widen the perspective, all data from the Forsmark 2.2 stage including observations from different levels of the bedrock, as well as hydrological measurements and characterisations of the Quaternary deposits, have been included in the analyses. The purpose of this report is to give a general understanding of the site and to explain observed overall patterns as well as anomalies, and, ultimately, to present a conceptual model that explains the present hydrochemistry in the surface system in the light of the past. The report may also function as a basis for further evaluation and testing of scenarios, and may be regarded as an intermediate step between raw data compilations from the vast SICADA database and specialised expert models. The flat topography and the recent withdrawal of the Baltic Sea due to the isostatic land-uplift are two important factors determining the hydrochemistry in the Forsmark area. Marine remnants in the Quaternary deposits, as well as modern sea water intrusions, are therefore strongly influencing the hydrochemistry, especially in areas at low altitude close to the coast. Large-scale marine gradients in the surface system are consistent with the conceptual model that describes the hydrochemical evolution in a paleo-hydrologic perspective. The Forsmark area is covered by glacial remnants, mostly in the form of a till layer, which was deposited during the Weichselian glaciation and deglaciation. When the ice cover retreated about 11,000 years ago, these deposits were exposed on the sea floor. This till layer is characterized by a rich content of calcite, originating from the sedimentary bedrock of Gaevlebukten about 100 km north of Forsmark. The dissolution of this

  10. Hydrochemistry in surface water and shallow groundwater. Site descriptive modelling SDM-Site Laxemar

    Energy Technology Data Exchange (ETDEWEB)

    Troejbom, Mats (Mopelikan, Norrtaelje (Sweden)); Soederbaeck, Bjoern; Kalinowski, Birgitta (Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden))

    2008-10-15

    Based on a mathematical/statistical approach, a large number of visualisations and models reflect the hydrochemistry of the Laxemar-Simpevarp area, with the intention of providing an understanding of important processes and factors that affect the hydrochemistry of the surface systems. In order to widen the perspective, all data from Laxemar stage 2.3, including observations from different levels of the bedrock, as well as hydrological measurements and characterisations of the Quaternary deposits, have been included in the analyses. The purpose of this report is to provide a general understanding of the site and to explain observed overall patterns and anomalies, and ultimately to present a conceptual model that explains the present hydrochemistry of the surface system in the light of the past. The report may also serve as a basis for further evaluation and testing of scenarios, and may be regarded as an intermediate step between raw data compilations from the vast Sicada database and specialised expert models. The topography in the Laxemar-Simpevarp area is characterised by elevated areas covered by thin or no Quaternary deposits, intersected by deep fissure valleys filled with thick sediments. This topography, in combination with the withdrawal of the Baltic Sea due to isostatic land uplift, are two important factors determining the hydrochemistry of the Laxemar-Simpevarp area. Furthermore, marine remnants in the Quaternary deposits influence the hydrochemistry in areas at low elevation close to the coast, whereas higher-lying areas are mostly influenced by atmospheric deposition and weathering processes. The vegetation cover has also great impact on the hydrochemistry of the surface system. Degradation of biogenic carbon generates large numbers of H+ ions, which drive weathering processes in the Quaternary deposits as well as in the upper parts of the bedrock. The present situation in the surface system is a consequence of the palaeohydrological past. In higher

  11. Hydrochemistry in surface water and shallow groundwater. Site descriptive modelling SDM-Site Laxemar

    International Nuclear Information System (INIS)

    Troejbom, Mats; Soederbaeck, Bjoern; Kalinowski, Birgitta

    2008-10-01

    Based on a mathematical/statistical approach, a large number of visualisations and models reflect the hydrochemistry of the Laxemar-Simpevarp area, with the intention of providing an understanding of important processes and factors that affect the hydrochemistry of the surface systems. In order to widen the perspective, all data from Laxemar stage 2.3, including observations from different levels of the bedrock, as well as hydrological measurements and characterisations of the Quaternary deposits, have been included in the analyses. The purpose of this report is to provide a general understanding of the site and to explain observed overall patterns and anomalies, and ultimately to present a conceptual model that explains the present hydrochemistry of the surface system in the light of the past. The report may also serve as a basis for further evaluation and testing of scenarios, and may be regarded as an intermediate step between raw data compilations from the vast Sicada database and specialised expert models. The topography in the Laxemar-Simpevarp area is characterised by elevated areas covered by thin or no Quaternary deposits, intersected by deep fissure valleys filled with thick sediments. This topography, in combination with the withdrawal of the Baltic Sea due to isostatic land uplift, are two important factors determining the hydrochemistry of the Laxemar-Simpevarp area. Furthermore, marine remnants in the Quaternary deposits influence the hydrochemistry in areas at low elevation close to the coast, whereas higher-lying areas are mostly influenced by atmospheric deposition and weathering processes. The vegetation cover has also great impact on the hydrochemistry of the surface system. Degradation of biogenic carbon generates large numbers of H + ions, which drive weathering processes in the Quaternary deposits as well as in the upper parts of the bedrock. The present situation in the surface system is a consequence of the palaeohydrological past. In higher

  12. Hydrochemistry in surface water and shallow groundwater. Site descriptive modelling SDM-Site Forsmark

    International Nuclear Information System (INIS)

    Troejbom, Mats; Soederbaeck, Bjoern; Johansson, Per-Olof

    2007-10-01

    With a mathematical/statistical approach, a large number of visualisations and models reflect the hydrochemistry in the Forsmark area, with the intention to give an understanding of important processes and factors that affect the hydrochemistry in the surface systems. In order to widen the perspective, all data from the Forsmark 2.2 stage including observations from different levels of the bedrock, as well as hydrological measurements and characterisations of the Quaternary deposits, have been included in the analyses. The purpose of this report is to give a general understanding of the site and to explain observed overall patterns as well as anomalies, and, ultimately, to present a conceptual model that explains the present hydrochemistry in the surface system in the light of the past. The report may also function as a basis for further evaluation and testing of scenarios, and may be regarded as an intermediate step between raw data compilations from the vast SICADA database and specialised expert models. The flat topography and the recent withdrawal of the Baltic Sea due to the isostatic land-uplift are two important factors determining the hydrochemistry in the Forsmark area. Marine remnants in the Quaternary deposits, as well as modern sea water intrusions, are therefore strongly influencing the hydrochemistry, especially in areas at low altitude close to the coast. Large-scale marine gradients in the surface system are consistent with the conceptual model that describes the hydrochemical evolution in a paleo-hydrologic perspective. The Forsmark area is covered by glacial remnants, mostly in the form of a till layer, which was deposited during the Weichselian glaciation and deglaciation. When the ice cover retreated about 11,000 years ago, these deposits were exposed on the sea floor. This till layer is characterized by a rich content of calcite, originating from the sedimentary bedrock of Gaevlebukten about 100 km north of Forsmark. The dissolution of this

  13. SURFACE SITES AND MOBILITIES OF IN ATOMS ON A STEPPED CU(100) SURFACE STUDIED AT LOW COVERAGE

    NARCIS (Netherlands)

    BREEMAN, M; DORENBOS, G; BOERMA, DO

    The various surface sites of In atoms deposited to a coverage of 0.013 monolayer (ML) onto a stepped Cu(100) surface were determined with low-energy ion scattering (LEIS) as a function of deposition temperature. From the fractions of In atoms occupying different sites, observed in the temperature

  14. Amino acid sequence surrounding the chondroitin sulfate attachment site of thrombomodulin regulates chondroitin polymerization.

    Science.gov (United States)

    Izumikawa, Tomomi; Kitagawa, Hiroshi

    2015-05-01

    Thrombomodulin (TM) is a cell-surface glycoprotein and a critical mediator of endothelial anticoagulant function. TM exists as both a chondroitin sulfate (CS) proteoglycan (PG) form and a non-PG form lacking a CS chain (α-TM); therefore, TM can be described as a part-time PG. Previously, we reported that α-TM bears an immature, truncated linkage tetrasaccharide structure (GlcAβ1-3Galβ1-3Galβ1-4Xyl). However, the biosynthetic mechanism to generate part-time PGs remains unclear. In this study, we used several mutants to demonstrate that the amino acid sequence surrounding the CS attachment site influences the efficiency of chondroitin polymerization. In particular, the presence of acidic residues surrounding the CS attachment site was indispensable for the elongation of CS. In addition, mutants defective in CS elongation did not exhibit anti-coagulant activity, as in the case with α-TM. Together, these data support a model for CS chain assembly in which specific core protein determinants are recognized by a key biosynthetic enzyme involved in chondroitin polymerization. Copyright © 2015 Elsevier Inc. All rights reserved.

  15. Land surface cleanup of plutonium at the Nevada Test Site

    International Nuclear Information System (INIS)

    Ebeling, L.L.; Evans, R.B.; Walsh, E.J.

    1991-01-01

    The Nevada Test Site (NTS) covers approximately 3300 km 2 of high desert and is located approximately 100 km northwest of Las Vegas, Nevada. Soil contaminated by plutonium exists on the NTS and surrounding areas from safety tests conducted in the 1950s and 1960s. About 150 curies of contamination have been measured over 1200 hectares of land surface. Most contamination is found in the top 5 cm of soil but may be found as deep as 25 cm. The cost of conventional removal and disposal of the full soil volume has been estimated at over $500,000,000. This study is directed toward minimizing the volume of waste which must be further processed and disposed of by precisely controlling soil removal depth. The following soil removal machines were demonstrated at the NTS: (1) a CMI Corporation Model PR-500FL pavement profiler, (2) a CMI Corporation Model TR-225B trimmer reclaimer, (3) a Caterpillar Model 623 elevating scraper equipped with laser depth control, (4) a Caterpillar Model 14G motor grader equipped with laser depth control, (5) a Caterpillar Model 637 auger scraper, and (6) a XCR Series Guzzler vacuum truck. The most effective removal technique tested was the pavement profiler, which provided for dust control and precisely removed thin layers of soil. Soil removal with the motor grader and paddle scraper generated unacceptable dust levels, even after the soil was extensively watered. The vacuum truck was ineffective because of its limited intake volume which is a function of its small intake size, its weak intake force, and the tendency of its filters to clog

  16. Post-duplication charge evolution of phosphoglucose isomerases in teleost fishes through weak selection on many amino acid sites

    Directory of Open Access Journals (Sweden)

    Sato Yukuto

    2007-10-01

    Full Text Available Abstract Background The partitioning of ancestral functions among duplicated genes by neutral evolution, or subfunctionalization, has been considered the primary process for the evolution of novel proteins (neofunctionalization. Nonetheless, how a subfunctionalized protein can evolve into a more adaptive protein is poorly understood, mainly due to the limitations of current analytical methods, which can detect only strong selection for amino acid substitutions involved in adaptive molecular evolution. In this study, we employed a comparative evolutionary approach to this question, focusing on differences in the structural properties of a protein, specifically the electric charge, encoded by fish-specific duplicated phosphoglucose isomerase (Pgi genes. Results Full-length cDNA cloning, RT-PCR based gene expression analyses, and comparative sequence analyses showed that after subfunctionalization with respect to the expression organ of duplicate Pgi genes, the net electric charge of the PGI-1 protein expressed mainly in internal tissues became more negative, and that of PGI-2 expressed mainly in muscular tissues became more positive. The difference in net protein charge was attributable not to specific amino acid sites but to the sum of various amino acid sites located on the surface of the PGI molecule. Conclusion This finding suggests that the surface charge evolution of PGI proteins was not driven by strong selection on individual amino acid sites leading to permanent fixation of a particular residue, but rather was driven by weak selection on a large number of amino acid sites and consequently by steady directional and/or purifying selection on the overall structural properties of the protein, which is derived from many modifiable sites. The mode of molecular evolution presented here may be relevant to various cases of adaptive modification in proteins, such as hydrophobic properties, molecular size, and electric charge.

  17. Surface modification of calcium–copper hydroxyapatites using polyaspartic acid

    International Nuclear Information System (INIS)

    Othmani, Masseoud; Aissa, Abdallah; Bachoua, Hassen; Debbabi, Mongi

    2013-01-01

    Highlights: ► The reaction of polyaspartic acid with calcium hydroxyapatite and mixed calcium–copper hydroxyapatite is tested. ► Chemical analysis shows that the presence of copper in the apatitic structure increases the reactivity of the apatite surface. ► X-ray powder analysis shows the conservation of unique crystalline phase of hydroxyapatite after copper incorporation and/or PASP acid reacting. ► IR spectra show the formation of the formation of organometallic bond M-O-C (M=Ca or Cu) on the apatitic surface. ► Transmission electron microscopy (TEM) micrographs and atomic force microscopy (AFM) indicated that the texture surface was changed by the grafting. - Abstract: Mixed calcium–copper hydroxyapatite (Ca–CuHAp), with general formula Ca (10−x) Cu x (PO 4 ) 6 (OH) 2 , where 0 ≤ x ≤ 0.75 was prepared in aqueous medium in the presence of different concentrations of poly-L-aspartic acid (PASP). XRD, IR, TG-DTA, TEM-EDX, AFM and chemical analyses were used to characterize the structure, morphology and composition of the products. All techniques show the formation of new hybrid compounds Ca–CuHAp–PASP. The presence of the grafting moiety on the apatitic material is more significant with increasing of copper amount and/or organic concentration in the starting solution. These increases lead to the affectation of apatite crystallinity. The IR spectroscopy shows the conservation of (P-OH) band of (HPO 4 ) 2− groups, suggesting that PASP acid was interacted only with metallic cations of hydroxyapatite.

  18. Surface modification of calcium-copper hydroxyapatites using polyaspartic acid

    Energy Technology Data Exchange (ETDEWEB)

    Othmani, Masseoud; Aissa, Abdallah; Bachoua, Hassen [Laboratoire de Physico-Chimie des Materiaux, Faculte des Sciences de Monastir, 5019 Monastir (Tunisia); Debbabi, Mongi, E-mail: m.debbabi@yahoo.fr [Laboratoire de Physico-Chimie des Materiaux, Faculte des Sciences de Monastir, 5019 Monastir (Tunisia)

    2013-01-01

    Highlights: Black-Right-Pointing-Pointer The reaction of polyaspartic acid with calcium hydroxyapatite and mixed calcium-copper hydroxyapatite is tested. Black-Right-Pointing-Pointer Chemical analysis shows that the presence of copper in the apatitic structure increases the reactivity of the apatite surface. Black-Right-Pointing-Pointer X-ray powder analysis shows the conservation of unique crystalline phase of hydroxyapatite after copper incorporation and/or PASP acid reacting. Black-Right-Pointing-Pointer IR spectra show the formation of the formation of organometallic bond M-O-C (M=Ca or Cu) on the apatitic surface. Black-Right-Pointing-Pointer Transmission electron microscopy (TEM) micrographs and atomic force microscopy (AFM) indicated that the texture surface was changed by the grafting. - Abstract: Mixed calcium-copper hydroxyapatite (Ca-CuHAp), with general formula Ca{sub (10-x)}Cu{sub x}(PO{sub 4}){sub 6}(OH){sub 2}, where 0 {<=} x {<=} 0.75 was prepared in aqueous medium in the presence of different concentrations of poly-L-aspartic acid (PASP). XRD, IR, TG-DTA, TEM-EDX, AFM and chemical analyses were used to characterize the structure, morphology and composition of the products. All techniques show the formation of new hybrid compounds Ca-CuHAp-PASP. The presence of the grafting moiety on the apatitic material is more significant with increasing of copper amount and/or organic concentration in the starting solution. These increases lead to the affectation of apatite crystallinity. The IR spectroscopy shows the conservation of (P-OH) band of (HPO{sub 4}){sup 2-} groups, suggesting that PASP acid was interacted only with metallic cations of hydroxyapatite.

  19. Site-Specific Molecule-Surface Interactions on Metal Oxides

    National Research Council Canada - National Science Library

    Reisler, Hanna

    1998-01-01

    .... At low incident energies rotational and translational temperatures of scattered HCl were equal to the surface temperature, and residence times in the millisecond regime were observed at low surface temperature. When HCl(v=2, J=1...

  20. Surface binding sites in carbohydrate active enzymes: An emerging picture of structural and functional diversity

    DEFF Research Database (Denmark)

    Svensson, Birte; Cockburn, Darrell

    2013-01-01

    is not universal and is in fact rare among some families of enzymes. In some cases an alternative to possessing a CBM is for the enzyme to bind to the substrate at a site on the catalytic domain, but away from the active site. Such a site is termed a surface (or secondary) binding site (SBS). SBSs have been...

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

    Energy Technology Data Exchange (ETDEWEB)

    O' Neill, A. [School of Planning, Architecture and Civil Engineering, Queen' s University of Belfast, Belfast, Northern Ireland (United Kingdom); Phillips, D.H., E-mail: d.phillips@qub.ac.uk [School of Planning, Architecture and Civil Engineering, Queen' s University of Belfast, Belfast, Northern Ireland (United Kingdom); Bowen, J. [School of Planning, Architecture and Civil Engineering, Queen' s University of Belfast, Belfast, Northern Ireland (United Kingdom); Sen Gupta, B. [School of the Built Environment, Hariot-Watt University, Edinburgh, Scotland (United Kingdom)

    2015-04-15

    A former silver mine in Tynagh, Co. Galway, Ireland is one of the most contaminated mine sites in Europe with maximum concentrations of Zn, As, Pb, Mn, Ni, Cu, and Cd far exceeding guideline values for water and sediment. The aims of this research were to 1) further assess the contamination, particularly metals, in surface water and sediment around the site, and 2) determine if the contamination has increased 10 years after the Environmental Protection Agency Ireland (EPAI) identified off-site contamination. Site pH is alkaline to neutral because CaCO{sub 3}-rich sediment and rock material buffer the exposed acid generating sulphide-rich ore. When this study was compared to the previous EPAI study conducted 10 years earlier, it appeared that further weathering of exposed surface sediment had increased concentrations of As and other potentially toxic elements. Water samples from the tailings ponds and adjacent Barnacullia Stream had concentrations of Al, Cd, Mn, Zn and Pb above guideline values. Lead and Zn concentrations from the tailings pond sediment were 16 and 5 times higher, respectively, than concentrations reported 10 years earlier. Pb and Zn levels in most sediment samples exceeded the Expert Group (EGS) guidelines of 1000 and 5000 mg/kg, respectively. Arsenic concentrations were as high as 6238 mg/kg in the tailings ponds sediment, which is 62 and 862 times greater than the EGS and Canadian Soil Quality Guidelines (CSQG), respectively. Cadmium, Cu, Fe, Mn, Pb and Zn concentrations in water and sediment were above guideline values downstream of the site. Additionally, Fe, Mn and organic matter (OM) were strongly correlated and correlated to Zn, Pb, As, Cd, Cu and Ni in stream sediment. Therefore, the nearby Barnacullia Stream is also a significant pathway for contaminant transport to downstream areas. Further rehabilitation of the site may decrease the contamination around the area. - Highlights: • Tynagh silver mine in Co. Galway, Ireland is a source of

  2. Investigation of surface and underground waters about the Blayais nuclear site - 2010

    International Nuclear Information System (INIS)

    Migeon, A.; Bernollin, A.; Dunand, E.; Barbey, P.; Boilley, D.; Josset, M.

    2011-01-01

    This investigation aims at proposing a first assessment of the impact of releases on surface and underground waters around the Blayais nuclear power station, i.e. the assessment of the (mainly radiological) quality of waters. The report identifies the various pollution sources: old sources (like atmospheric nuclear tests, nuclear accidents), incidents in the Blayais station, and potential sources for the present contamination. Different radionuclides are searched like tritium, carbon 14, gamma radioactivity (from different elements), some beta emitters, radon as well as some chemicals related to the station activity (hydrazine, boric acid, EDTA, lithium, morpholine). Sampling sites are presented (estuary, canals, reservoirs). Radiological and chemical analysis are reported and commented. Significant presence of Tritium and Nickel-63 are noticed

  3. Design surface covers: an approach to long-term waste site stabilization

    International Nuclear Information System (INIS)

    Beedlow, P.A.; Cadwell, L.L.; McShane, M.C.

    1983-02-01

    The wide range of existing environmental conditions, potential contaminants and available cover materials at waste disposal sites necessitates site-specific designing of surface covers for effective long-term erosion resistance. This paper presents a systematic approach to designing surface covers for hazardous waste repositories that can be tailored to conditions at any site. The approach consists of three phases: (1) an assessment, during which the degree of required surface protection (erosion potential) is determined; (2) a preliminary design that integrates surface cover design with the need to minimize transport of contaminants; and (3) a final design, where the cost and effectiveness of the surface cover are determined. 1 figure

  4. Effects of acid and alkaline based surface preparations on spray deposited cerium based conversion coatings on Al 2024-T3

    Energy Technology Data Exchange (ETDEWEB)

    Pinc, W. [Department of Materials Science Engineering, Materials Research Center, Missouri University of Science and Technology, Rolla, MO 65409 (United States)], E-mail: wrphw5@mst.edu; Geng, S.; O' Keefe, M.; Fahrenholtz, W.; O' Keefe, T. [Department of Materials Science Engineering, Materials Research Center, Missouri University of Science and Technology, Rolla, MO 65409 (United States)

    2009-01-15

    Cerium based conversion coatings were spray deposited on Al 2024-T3 and characterized to determine the effect of surface preparation on the deposition rate and surface morphology. It was found that activation of the panel using a 1-wt.% sulfuric acid solution increased the coating deposition rate compared to alkaline cleaning alone. Analysis of the surface morphology of the coatings showed that the coatings deposited on the acid treated panels exhibited fewer visible cracks compared to coatings on alkaline cleaned panels. Auger electron spectroscopy depth profiling showed that the acid activation decreased the thickness of the aluminum oxide layer and the concentration of magnesium on the surface of the panels compared to the alkaline treatment. Additionally, acid activation increased the copper concentration at the surface of the aluminum substrate. Based on the results, the acid based surface treatment appeared to expose copper rich intermetallics, thus increasing the number of cathodic sites on the surface, which led to an overall increase in the deposition rate.

  5. Site-specific labeling of proteins with NMR-active unnatural amino acids

    International Nuclear Information System (INIS)

    Jones, David H.; Cellitti, Susan E.; Hao Xueshi; Zhang Qiong; Jahnz, Michael; Summerer, Daniel; Schultz, Peter G.; Uno, Tetsuo; Geierstanger, Bernhard H.

    2010-01-01

    A large number of amino acids other than the canonical amino acids can now be easily incorporated in vivo into proteins at genetically encoded positions. The technology requires an orthogonal tRNA/aminoacyl-tRNA synthetase pair specific for the unnatural amino acid that is added to the media while a TAG amber or frame shift codon specifies the incorporation site in the protein to be studied. These unnatural amino acids can be isotopically labeled and provide unique opportunities for site-specific labeling of proteins for NMR studies. In this perspective, we discuss these opportunities including new photocaged unnatural amino acids, outline usage of metal chelating and spin-labeled unnatural amino acids and expand the approach to in-cell NMR experiments.

  6. Surface science of single-site heterogeneous olefin polymerization catalysts

    OpenAIRE

    Kim, Seong H.; Somorjai, Gabor A.

    2006-01-01

    This article reviews the surface science of the heterogeneous olefin polymerization catalysts. The specific focus is on how to prepare and characterize stereochemically specific heterogeneous model catalysts for the Ziegler–Natta polymerization. Under clean, ultra-high vacuum conditions, low-energy electron irradiation during the chemical vapor deposition of model Ziegler–Natta catalysts can be used to create a “single-site” catalyst film with a surface structure that produces only isotactic ...

  7. Organic acids in cloud water and rainwater at a mountain site in acid rain areas of South China.

    Science.gov (United States)

    Sun, Xiao; Wang, Yan; Li, Haiyan; Yang, Xueqiao; Sun, Lei; Wang, Xinfeng; Wang, Tao; Wang, Wenxing

    2016-05-01

    To investigate the chemical characteristics of organic acids and to identify their source, cloud water and rainwater samples were collected at Mount Lu, a mountain site located in the acid rain-affected area of south China, from August to September of 2011 and March to May of 2012. The volume-weighted mean (VWM) concentration of organic acids in cloud water was 38.42 μeq/L, ranging from 7.45 to 111.46 μeq/L, contributing to 2.50 % of acidity. In rainwater samples, organic acid concentrations varied from 12.39 to 68.97 μeq/L (VWM of 33.39 μeq/L). Organic acids contributed significant acidity to rainwater, with a value of 17.66 %. Formic acid, acetic acid, and oxalic acid were the most common organic acids in both cloud water and rainwater. Organic acids had an obviously higher concentration in summer than in spring in cloud water, whereas there was much less discrimination in rainwater between the two seasons. The contribution of organic acids to acidity was lower during summer than during spring in both cloud water (2.20 % in summer vs 2.83 % in spring) and rainwater (12.24 % in summer vs 19.89 % in spring). The formic-to-acetic acid ratio (F/A) showed that organic acids were dominated by primary emissions in 71.31 % of the cloud water samples and whole rainwater samples. Positive matrix factorization (PMF) analysis determined four factors as the sources of organic acids in cloud water, including biogenic emissions (61.8 %), anthropogenic emissions (15.28 %), marine emissions (15.07 %) and soil emissions (7.85 %). The findings from this study imply an indispensable role of organic acids in wet deposition, but organic acids may have a limited capacity to increase ecological risks in local environments.

  8. Surface fixation of dried blood by glutaraldehyde and peracetic acid.

    Science.gov (United States)

    Kampf, G; Bloss, R; Martiny, H

    2004-06-01

    The difficulties of successful prion inactivation by chemical agents has led to changes in recommendations regarding the reprocessing of instruments including flexible endoscopes. One of the changes is the preference for peracetic acid instead of glutaraldehyde in order to avoid fixation of organic material, but the surface fixation by various active agents has not been fully investigated. We used a standardized amount of dried blood soil on metal carriers (on average 22 mg). One part of the carriers was exposed to different disinfectants (four based on peracetic acid, three based on glutaraldehyde, two based on quaternary ammonium compounds (QAC), one based on QAC and amines, one based on phenols and one cleaning agent) and air dried. The difference compared with the non-exposed soiled carrier was taken as the measure of blood removal by exposure to the disinfectants. In addition the other part of the carriers was exposed to a cleaning agent and air dried. The cleaning agent itself was capable of removing more than 99% of the dried blood and served as a control for non-fixation. The rate of fixation of dried blood was calculated as the ratio of the weight of residual soil on 'soiled, disinfected and cleaned' carriers and on 'soiled and disinfected' carriers. All experiments were repeated eight times. Blood removal varied between 90.3% +/- 1.5% (phenol-based disinfectant) and peracetic acid. No other preparations showed a potential for blood fixation (peracetic acid, and support the evidence that effective cleaning should precede the chemical disinfection. Copyright 2004 The Hospital Infection Society

  9. Assessment of acid mine drainage remediation schemes on ground water flow regimes at a reclaimed mine site

    International Nuclear Information System (INIS)

    Gabr, M.A.; Bowders, J.J.

    1994-01-01

    Ground water modeling and a field monitoring program were conducted for a 35-acre reclaimed surface mine site that continues to produce acid mine drainage (AMD). The modeling effort was focused on predicting the effectiveness of various remedial measures implemented at the site for the abatement of AMD on predicting the effectiveness of various remedial measures implemented at the site for the abatement of AMD production. The field work included surface surveys and monitoring of ground water levels with time, seepage areas, and sedimentation ponds located on the site. The surveys provided the physical and topographic characteristics of the site. Pump tests conducted at the site provided general hydraulic conductivities (k) for two major areas of the site; undisturbed area (k ≅ 2.9 x 10 -5 ft/s) and disturbed area (k ≅ 3.3 x 10 -4 ft/s to 2.0 x 10 -3 ft/s). The monitored ground water data indicated rapid change in ground water levels during recharge events. Such behavior is indicative of flow regime that is dominated by fracture flow. Modeling of an approximately 700 ft by 1,500 ft area of the site was achieved using the US GS code MODFLOW, and ground water field measurements were used to calibrate the model. A hydraulic conductivity of about 1.15 x 10 -3 ft/s was estimated for the undisturbed area and 1.15 x 10 -2 ft/s for the reclaimed area. Remedial measures for diverting the ground water away from the areas of spoil included the use of a subsurface seepage cutoff wall and discrete sealing techniques. Modeling results indicated that the most effective remedial technique for this site is the use of a subsurface seepage cutoff wall installed at the interface (highwall) between the disturbed and undisturbed zones. Using this scheme caused a dewatering effect in the reclaimed area and therefore reduction in the volume of the AMD generated at the site

  10. Investigation on surface structure of potassium permanganate/nitric acid treated poly(tetrafluoroethylene)

    International Nuclear Information System (INIS)

    Fu, Congli; Liu, Shuling; Gong, Tianlong; Gu, Aiqun; Yu, Zili

    2014-01-01

    Highlights: • A new transformation (conversion) mechanism of PTFE surface from a hydrophobicity to a hydrophilicity was proposed through the treatment of KMnO 4 /HNO 3 . • Chemical reactions or defluorination of PTFE described in the reported paper was testified to be a misconceived conclusion by the combination of several testing measurements (IR, XPS, XRD and so on) in our present work. • Deposition of manganese oxide and/or manganese hydroxide on PTFE surface contributed to the hydrophilic property of the modified PTFE with KMnO 4 /HNO 3 treated. • The deposition thickness on the modified PTFE surface was about 5 μm, which was significantly helpful in enhancing the adhesive strength of PTFE with other materials. - Abstract: In the previous articles concerning the treatment of poly(tetrafluoroethylene) (PTFE) with potassium permanganate/nitric acid mixture, the conversion of a hydrophobic to a hydrophilic surface was partially assigned to the defluorination of PTFE and then the introduction of carbonyl and hydroxyl groups into the defluorinated sites. In the present work, PTFE sheets were treated with potassium permanganate/nitric acid, and the surfaces before and after treatment were comparatively characterized by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The surface sediments of the treated PTFE were also determined by atomic absorption spectroscopy (AAS). The results indicate that the conversion of the hydrophobicity to the hydrophilicity on the modified PTFE surface is mainly due to the deposition of hydrophilic manganese oxides which covered the fluorocarbon surface, and no detectable chemical reactions of PTFE occur in the treating process

  11. Investigation on surface structure of potassium permanganate/nitric acid treated poly(tetrafluoroethylene)

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Congli; Liu, Shuling; Gong, Tianlong; Gu, Aiqun; Yu, Zili, E-mail: ziliyu@scu.edu.cn

    2014-10-30

    Highlights: • A new transformation (conversion) mechanism of PTFE surface from a hydrophobicity to a hydrophilicity was proposed through the treatment of KMnO{sub 4}/HNO{sub 3}. • Chemical reactions or defluorination of PTFE described in the reported paper was testified to be a misconceived conclusion by the combination of several testing measurements (IR, XPS, XRD and so on) in our present work. • Deposition of manganese oxide and/or manganese hydroxide on PTFE surface contributed to the hydrophilic property of the modified PTFE with KMnO{sub 4}/HNO{sub 3} treated. • The deposition thickness on the modified PTFE surface was about 5 μm, which was significantly helpful in enhancing the adhesive strength of PTFE with other materials. - Abstract: In the previous articles concerning the treatment of poly(tetrafluoroethylene) (PTFE) with potassium permanganate/nitric acid mixture, the conversion of a hydrophobic to a hydrophilic surface was partially assigned to the defluorination of PTFE and then the introduction of carbonyl and hydroxyl groups into the defluorinated sites. In the present work, PTFE sheets were treated with potassium permanganate/nitric acid, and the surfaces before and after treatment were comparatively characterized by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The surface sediments of the treated PTFE were also determined by atomic absorption spectroscopy (AAS). The results indicate that the conversion of the hydrophobicity to the hydrophilicity on the modified PTFE surface is mainly due to the deposition of hydrophilic manganese oxides which covered the fluorocarbon surface, and no detectable chemical reactions of PTFE occur in the treating process.

  12. Status of siting studies for a near surface repository site for radioactive wastes in the Philippines

    International Nuclear Information System (INIS)

    Valdezco, E.M.; Palattao, M.V.B.; Marcelo, E.A.; Caseria, E.S.; Venida, L.L.; Cruz, J.M. dela

    2002-01-01

    The Philippines, through the Philippine Nuclear Research Institute (PNRI), decided to conduct a study on siting a low level radioactive waste disposal facility. The infrastructure set up for this purpose, the radioactive waste disposal concept, the overall siting process, the methodology applied and preliminary results obtained are described in this paper. (author)

  13. Modeling Bacteria Surface Acid-Base Properties: The Overprint Of Biology

    Science.gov (United States)

    Amores, D. R.; Smith, S.; Warren, L. A.

    2009-05-01

    Bacteria are ubiquitous in the environment and are important repositories for metals as well as nucleation templates for a myriad of secondary minerals due to an abundance of reactive surface binding sites. Model elucidation of whole cell surface reactivity simplifies bacteria as viable but static, i.e., no metabolic activity, to enable fits of microbial data sets from models derived from mineral surfaces. Here we investigate the surface proton charging behavior of live and dead whole cell cyanobacteria (Synechococcus sp.) harvested from a single parent culture by acid-base titration using a Fully Optimized ContinUouS (FOCUS) pKa spectrum method. Viability of live cells was verified by successful recultivation post experimentation, whereas dead cells were consistently non-recultivable. Surface site identities derived from binding constants determined for both the live and dead cells are consistent with molecular analogs for organic functional groups known to occur on microbial surfaces: carboxylic (pKa = 2.87-3.11), phosphoryl (pKa = 6.01-6.92) and amine/hydroxyl groups (pKa = 9.56-9.99). However, variability in total ligand concentration among the live cells is greater than those between the live and dead. The total ligand concentrations (LT, mol- mg-1 dry solid) derived from the live cell titrations (n=12) clustered into two sub-populations: high (LT = 24.4) and low (LT = 5.8), compared to the single concentration for the dead cell titrations (LT = 18.8; n=5). We infer from these results that metabolic activity can substantively impact surface reactivity of morphologically identical cells. These results and their modeling implications for bacteria surface reactivities will be discussed.

  14. Detection analysis of surface hydroxyl active sites and simulation calculation of the surface dissociation constants of aqueous diatomite suspensions

    International Nuclear Information System (INIS)

    Ma, Shu-Cui; Wang, Zhi-Gang; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-01-01

    Highlights: • To examine surface hydroxyl functional groups of the calcined diatomite by TGA-DSC, FTIR, and XPS. • To calculate the optimized log K 1 , log K 2 and log C values and the surface species distribution of each surface reactive site using ProtoFit and PHREEQC, respectively. - Abstract: The surface properties of the diatomite were investigated using nitrogen adsorption/deadsorption isotherms, TG-DSC, FTIR, and XPS, and surface protonation–deprotonation behavior was determined by continuous acid–base potentiometric titration technique. The diatomite sample with porous honeycomb structure has a BET specific surface area of 10.21 m 2 /g and large numbers of surface hydroxyl functional groups (i.e. ≡Si-OH, ≡Fe-OH, and ≡Al-OH). These surface hydroxyls can be protonated or deprotonated depending on the pH of the suspension. The experimental potentiometric data in two different ionic strength solutions (0.1 and 0.05 mol/L NaCl) were fitted using ProtoFit GUI V2.1 program by applying diffuse double layer model (DLM) with three amphoteric sites and minimizing the sum of squares between a dataset derivative function and a model derivative function. The optimized surface parameters (i.e. surface dissociation constants (log K 1 , log K 2 ) and surface site concentrations (log C)) of the sample were obtained. Based on the optimized surface parameters, the surface species distribution was calculated using Program-free PHREEQC 3.1.2. Thus, this work reveals considerable new information about surface protonation–deprotonation processes and surface adsorptive behaviors of the diatomite, which helps us to effectively use the cheap and cheerful diatomite clay adsorbent

  15. Detection analysis of surface hydroxyl active sites and simulation calculation of the surface dissociation constants of aqueous diatomite suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Shu-Cui [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Key Laboratory of Applied Chemistry and Nanotechnology at Universities of Jilin Province, Changchun University of Science and Technology, Changchun 130022 (China); Wang, Zhi-Gang [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Zhang, Ji-Lin, E-mail: zjl@ciac.ac.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Sun, De-Hui [Changchun Institute Technology, Changchun 130012 (China); Liu, Gui-Xia, E-mail: liuguixia22@163.com [Key Laboratory of Applied Chemistry and Nanotechnology at Universities of Jilin Province, Changchun University of Science and Technology, Changchun 130022 (China)

    2015-02-01

    Highlights: • To examine surface hydroxyl functional groups of the calcined diatomite by TGA-DSC, FTIR, and XPS. • To calculate the optimized log K{sub 1}, log K{sub 2} and log C values and the surface species distribution of each surface reactive site using ProtoFit and PHREEQC, respectively. - Abstract: The surface properties of the diatomite were investigated using nitrogen adsorption/deadsorption isotherms, TG-DSC, FTIR, and XPS, and surface protonation–deprotonation behavior was determined by continuous acid–base potentiometric titration technique. The diatomite sample with porous honeycomb structure has a BET specific surface area of 10.21 m{sup 2}/g and large numbers of surface hydroxyl functional groups (i.e. ≡Si-OH, ≡Fe-OH, and ≡Al-OH). These surface hydroxyls can be protonated or deprotonated depending on the pH of the suspension. The experimental potentiometric data in two different ionic strength solutions (0.1 and 0.05 mol/L NaCl) were fitted using ProtoFit GUI V2.1 program by applying diffuse double layer model (DLM) with three amphoteric sites and minimizing the sum of squares between a dataset derivative function and a model derivative function. The optimized surface parameters (i.e. surface dissociation constants (log K{sub 1}, log K{sub 2}) and surface site concentrations (log C)) of the sample were obtained. Based on the optimized surface parameters, the surface species distribution was calculated using Program-free PHREEQC 3.1.2. Thus, this work reveals considerable new information about surface protonation–deprotonation processes and surface adsorptive behaviors of the diatomite, which helps us to effectively use the cheap and cheerful diatomite clay adsorbent.

  16. Distribution of acidic and neutral drugs in surface waters near sewage treatment plants in the lower Great Lakes, Canada.

    Science.gov (United States)

    Metcalfe, Chris D; Miao, Xiu-Sheng; Koenig, Brenda G; Struger, John

    2003-12-01

    Prescription and nonprescription drugs have been detected in rivers and streams in Europe and the United States. Sewage treatment plants (STPs) are an important source of these contaminants, but few data exist on the spatial distribution of drugs in surface waters near STPs. Samples of surface water were collected in the summer and fall of 2000 at open-water sites in the lower Great Lakes (Lake Ontario and Lake Erie), at sites near the two STPs for the city of Windsor (ON, Canada), and at sites in Hamilton Harbour (ON, Canada), an embayment of western Lake Ontario that receives discharges from several STPs. In a follow-up study in the summer of 2002, samples of surface water and final effluent from adjacent STPs were collected from sites in Hamilton Harbour and Windsor. In addition, surface water and STP effluent samples were collected in Peterborough (ON, Canada). All samples of surface water and STP effluents were analyzed for selected acidic and neutral drugs. In the survey of Hamilton Harbour and Windsor conducted in 2000, acidic drugs and the antiepileptic drug carbamazepine were detected at ng/L concentrations at sites that were up to 500 m away from the STP, but the hydrological conditions of the receiving waters strongly influenced the spatial distribution of these compounds. Drugs were not detected at open-water locations in western Lake Erie or in the Niagara River near the municipality of Niagara-on-the-Lake (ON, Canada). However, clofibric acid, ketoprofen, fenoprofen, and carbamazepine were detected in samples collected in the summer of 2000 at sites in Lake Ontario and at a site in the Niagara River (Fort Erie, ON, Canada) that were relatively remote from STP discharges. Follow-up studies in the summer of 2002 indicated that concentrations of acidic and neutral drugs in surface waters near the point of sewage discharge into the Little River (ON, Canada) STP were approximately equal to the concentrations in the final effluent from the STP. Caffeine and

  17. Prediction of citrullination sites by incorporating k-spaced amino acid pairs into Chou's general pseudo amino acid composition.

    Science.gov (United States)

    Ju, Zhe; Wang, Shi-Yun

    2018-04-22

    As one of the most important and common protein post-translational modifications, citrullination plays a key role in regulating various biological processes and is associated with several human diseases. The accurate identification of citrullination sites is crucial for elucidating the underlying molecular mechanisms of citrullination and designing drugs for related human diseases. In this study, a novel bioinformatics tool named CKSAAP_CitrSite is developed for the prediction of citrullination sites. With the assistance of support vector machine algorithm, the highlight of CKSAAP_CitrSite is to adopt the composition of k-spaced amino acid pairs surrounding a query site as input. As illustrated by 10-fold cross-validation, CKSAAP_CitrSite achieves a satisfactory performance with a Sensitivity of 77.59%, a Specificity of 95.26%, an Accuracy of 89.37% and a Matthew's correlation coefficient of 0.7566, which is much better than those of the existing prediction method. Feature analysis shows that the N-terminal space containing pairs may play an important role in the prediction of citrullination sites, and the arginines close to N-terminus tend to be citrullinated. The conclusions derived from this study could offer useful information for elucidating the molecular mechanisms of citrullination and related experimental validations. A user-friendly web-server for CKSAAP_CitrSite is available at 123.206.31.171/CKSAAP_CitrSite/. Copyright © 2017. Published by Elsevier B.V.

  18. Tranexamic acid: optimal blood loss management in surface replacement arthroplasty.

    Science.gov (United States)

    Sassoon, A; Nam, D; Jackups, R; Johnson, S R; Nunley, R M; Barrack, R L

    2016-02-01

    This study investigated whether the use of tranexamic acid (TXA) decreased blood loss and transfusion related cost following surface replacement arthroplasty (SRA). A retrospective review of patients treated with TXA during a SRA, who did not receive autologous blood (TXA group) was performed. Two comparison groups were established; the first group comprised of patients who donated their own blood pre-operatively (auto group) and the second of patients who did not donate blood pre-operatively (control). Outcomes included transfusions, post-operative haemoglobin (Hgb), complications, and length of post-operative stay. Between 2009 and 2013, 150 patients undergoing SRA were identified for inclusion: 51 in the auto, 49 in the control, and 50 in the TXA group. There were no differences in the pre-operative Hgb concentrations between groups. The mean post-operative Hgb was 11.3 g/dL (9.1 to 13.6) in the auto and TXA groups, and 10.6 g/dL (8.1 to 12.1)in the control group (p = 0.001). Accounting for cost of transfusions, administration of TXA, and length of stay, the cost per patient was $1731, $339, and $185 for the auto, control and TXA groups, respectively. TXA use demonstrated higher post-operative Hgb concentrations when compared with controls and decreased peri-operative costs. Tranexamic acid safely limits allogeneic transfusion, maintains post-operative haemoglobin, and decreases direct and indirect transfusion related costs in surface replacement arthroplasty. ©2016 The British Editorial Society of Bone & Joint Surgery.

  19. Site specific incorporation of heavy atom-containing unnatural amino acids into proteins for structure determination

    Science.gov (United States)

    Xie, Jianming [San Diego, CA; Wang, Lei [San Diego, CA; Wu, Ning [Boston, MA; Schultz, Peter G [La Jolla, CA

    2008-07-15

    Translation systems and other compositions including orthogonal aminoacyl tRNA-synthetases that preferentially charge an orthogonal tRNA with an iodinated or brominated amino acid are provided. Nucleic acids encoding such synthetases are also described, as are methods and kits for producing proteins including heavy atom-containing amino acids, e.g., brominated or iodinated amino acids. Methods of determining the structure of a protein, e.g., a protein into which a heavy atom has been site-specifically incorporated through use of an orthogonal tRNA/aminoacyl tRNA-synthetase pair, are also described.

  20. Site selection report basalt waste isolation program near-surface test facility

    International Nuclear Information System (INIS)

    Sharpe, S.D.

    1978-01-01

    A site selection committee was established to review the information gathered on potential sites and to select a site for the Near-Surface Test Facility Phase I. A decision was made to use a site on the north face of Gable Mountain located on the Hanford Site. This site provided convenient access to the Pomona Basalt Flow. This flow was selected for use at this site because it exhibited the characteristics established in the primary criteria. These criteria were: the flows thickness; its dryness; its nearness to the surface; and, its similarities to basalt units which are candidates for the repository. After the selection of the Near-Surface Test Facility Phase I Site, the need arose for an additional facility to demonstrate safe handling, storage techniques, and the physical effects of radioactive materials on an in situ basalt formation. The committee reviewed the sites selected for Phase I and chose the same site for locating Phase II of the Near-Surface Test Facility

  1. Surface modification of calcium hydroxyapatite by grafting of etidronic acid

    Science.gov (United States)

    Othmani, Masseoud; Aissa, Abdallah; Bac, Christophe Goze; Rachdi, Férid; Debbabi, Mongi

    2013-06-01

    The surface of prepared calcium hydroxyapatite CaHAp has been modified by grafting the etidronic acid (ETD). For that purpose, CaHAp powders have been suspended in an aqueous etidronate solution with different concentrations. The obtained composites CaHAp-(ETD) were characterized by TEM and AFM techniques to determinate morphological properties and were also characterized by XRD, IR, NMR and chemical and thermal analysis to determinate their physico-chemical properties and essentially the nature of the interaction between the inorganic support and the grafted organic ETD. After reaction with ETD, XRD powder analysis shows that the apatitic structure remains unchanged with slight affectation of its crystallinity. The presence of etidronate fragment bounded to hydroxyapatite was confirmed by IR and solid-state NMR spectroscopy. TEM and AFM techniques indicate that the presence of etidronate changes the morphology of the particles. Basing on the obtained results, a reactional mechanism was proposed to explain the formation of covalent Casbnd Osbnd Porg bonds on the hydroxyapatite surface between the superficial hydroxyl groups (tbnd Casbnd OH) of the apatite and phosphonate group (Psbnd OH) of etidronate.

  2. Lactic acid bacteria in dairy food: surface characterization and interactions with food matrix components.

    Science.gov (United States)

    Burgain, J; Scher, J; Francius, G; Borges, F; Corgneau, M; Revol-Junelles, A M; Cailliez-Grimal, C; Gaiani, C

    2014-11-01

    This review gives an overview of the importance of interactions occurring in dairy matrices between Lactic Acid Bacteria and milk components. Dairy products are important sources of biological active compounds of particular relevance to human health. These compounds include immunoglobulins, whey proteins and peptides, polar lipids, and lactic acid bacteria including probiotics. A better understanding of interactions between bioactive components and their delivery matrix may successfully improve their transport to their target site of action. Pioneering research on probiotic lactic acid bacteria has mainly focused on their host effects. However, very little is known about their interaction with dairy ingredients. Such knowledge could contribute to designing new and more efficient dairy food, and to better understand relationships between milk constituents. The purpose of this review is first to provide an overview of the current knowledge about the biomolecules produced on bacterial surface and the composition of the dairy matter. In order to understand how bacteria interact with dairy molecules, adhesion mechanisms are subsequently reviewed with a special focus on the environmental conditions affecting bacterial adhesion. Methods dedicated to investigate the bacterial surface and to decipher interactions between bacteria and abiotic dairy components are also detailed. Finally, relevant industrial implications of these interactions are presented and discussed. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Site-Directed Immobilization of Bone Morphogenetic Protein 2 to Solid Surfaces by Click Chemistry.

    Science.gov (United States)

    Siverino, Claudia; Tabisz, Barbara; Lühmann, Tessa; Meinel, Lorenz; Müller, Thomas; Walles, Heike; Nickel, Joachim

    2018-03-29

    Different therapeutic strategies for the treatment of non-healing long bone defects have been intensively investigated. Currently used treatments present several limitations that have led to the use of biomaterials in combination with osteogenic growth factors, such as bone morphogenetic proteins (BMPs). Commonly used absorption or encapsulation methods require supra-physiological amounts of BMP2, typically resulting in a so-called initial burst release effect that provokes several severe adverse side effects. A possible strategy to overcome these problems would be to covalently couple the protein to the scaffold. Moreover, coupling should be performed in a site-specific manner in order to guarantee a reproducible product outcome. Therefore, we created a BMP2 variant, in which an artificial amino acid (propargyl-L-lysine) was introduced into the mature part of the BMP2 protein by codon usage expansion (BMP2-K3Plk). BMP2-K3Plk was coupled to functionalized beads through copper catalyzed azide-alkyne cycloaddition (CuAAC). The biological activity of the coupled BMP2-K3Plk was proven in vitro and the osteogenic activity of the BMP2-K3Plk-functionalized beads was proven in cell based assays. The functionalized beads in contact with C2C12 cells were able to induce alkaline phosphatase (ALP) expression in locally restricted proximity of the bead. Thus, by this technique, functionalized scaffolds can be produced that can trigger cell differentiation towards an osteogenic lineage. Additionally, lower BMP2 doses are sufficient due to the controlled orientation of site-directed coupled BMP2. With this method, BMPs are always exposed to their receptors on the cell surface in the appropriate orientation, which is not the case if the factors are coupled via non-site-directed coupling techniques. The product outcome is highly controllable and, thus, results in materials with homogeneous properties, improving their applicability for the repair of critical size bone defects.

  4. Direct conversion of bio-ethanol to isobutene on nanosized Zn(x)Zr(y)O(z) mixed oxides with balanced acid-base sites.

    Science.gov (United States)

    Sun, Junming; Zhu, Kake; Gao, Feng; Wang, Chongmin; Liu, Jun; Peden, Charles H F; Wang, Yong

    2011-07-27

    We report the design and synthesis of nanosized Zn(x)Zr(y)O(z) mixed oxides for direct and high-yield conversion of bio-ethanol to isobutene (~83%). ZnO is addded to ZrO(2) to selectively passivate zirconia's strong Lewis acidic sites and weaken Brönsted acidic sites, while simultaneously introducing basicity. As a result, the undesired reactions of bio-ethanol dehydration and acetone polymerization/coking are suppressed. Instead, a surface basic site-catalyzed ethanol dehydrogenation to acetaldehyde, acetaldehyde to acetone conversion via a complex pathway including aldol-condensation/dehydrogenation, and a Brönsted acidic site-catalyzed acetone-to-isobutene reaction pathway dominates on the nanosized Zn(x)Zr(y)O(z) mixed oxide catalyst, leading to a highly selective process for direct conversion of bio-ethanol to isobutene.

  5. Human acid β-glucosidase: isolation and amino acid sequence of a peptide containing the catalytic site

    International Nuclear Information System (INIS)

    Dinur, T.; Osiecki, K.M.; Legler, G.; Gatt, S.; Desnick, R.J.; Grabowski, G.A.

    1986-01-01

    Human acid β-glucosidase (D-glucosyl-N-acylsphingosine glucohydrolase, EC 3.2.1.45) cleaves the glucosidic bonds of glucosylceramide and synthetic β-glucosides. The deficient activity of this hydrolase is the enzymatic defect in the subtypes and variants of Gaucher disease, the most prevalent lysosomal storage disease. To isolate and characterize the catalytic site of the normal enzyme, brominated 3 H-labeled conduritol B epoxide ( 3 H-Br-CBE), which inhibits the enzyme by binding covalently to this site, was used as an affinity label. Under optimal conditions 1 mol of 3 H-Br-CBE bound to 1 mol of pure enzyme protein, indicating the presence of a single catalytic site per enzyme subunit. After V 8 protease digestion of the 3 H-Br-CBE-labeled homogeneous enzyme, three radiolabeled peptides, designated peptide A, B, or C, were resolved by reverse-phase HPLC. The partial amino acid sequence (37 residues) of peptide A (M/sub r/, 5000) was determined. The sequence of this peptide, which contained the catalytic site, had exact homology to the sequence near the carboxyl terminus of the protein, as predicted from the nucleotide sequence of the full-length cDNA encoding acid β-glucosidase

  6. Are the Viking Lander sites representative of the surface of Mars?

    Science.gov (United States)

    Jakosky, B. M.; Christensen, P. R.

    1986-01-01

    Global remote sensing data of the Martian surface, collected by earth- and satellite-based instruments, are compared with data from the two Viking Landers to determine if the Lander data are representative of the Martian surface. The landing sites are boulder-strewn and feature abundant fine material and evidence of strong eolian forces. One site (VL-1) is in a plains-covered basin which is associated with volcanic activity; the VL-2 site is in the northern plains. Thermal IR, broadband albedo, color imaging and radar remote sensing has been carried out of the global Martian surface. The VL-1 data do not fit a general correlation observed between increases in 70-cm radar cross-sections and thermal inertia. A better fit is found with 12.5-cm cross sections, implying the presence of a thinner or discontinuous duricrust at the VL-1 site, compared to other higher-inertia regions. A thin dust layer is also present at the VL-2 site, based on the Lander reflectance data. The Lander sites are concluded to be among the three observed regions of anomalous reflectivity, which can be expected in low regions selected for the landings. Recommendations are furnished for landing sites of future surface probes in order to choose sites more typical of the global Martian surface.

  7. Location and nature of calcium-binding sites in salivary acidic proline-rich phosphoproteins

    International Nuclear Information System (INIS)

    Bennick, A.; McLaughlin, A.C.; Grey, A.A.; Madapallimattam, G.

    1981-01-01

    The location of the calcium-binding sites in the human acidic proline-rich proteins, salivary proteins A and C, was determined by equilibrium dialysis of the tryptic peptides with buffers containing 45 Ca. All the calcium-binding sites are located in the NH 2 -terminal tryptic peptide (TX peptide). The nature of the calcium binding sites in the TX peptide and native salivary proteins A and C, as well as dephosphorylated proteins was compared. Two types of sites can be distinguished in peptide TX. Type I sites have an apparent dissociation constant (K) of 38 μM and are responsible for the binding of 2.6 mol of Ca/mol of peptide. The corresponding figures for Type II sites are 780 μM and 5.3 mol of Ca/mol of peptide. In the native proteins, the amount of calcium bound at the type II sites decreases to 3.9 mol of Ca/mol of proteins A and C and K increases to 1100 μM. The amount of calcium bound at type I sites decreases to 1.5 mol/mol of protein A and 0.6 mol/mol of protein C, but there is no change in K. Dephosphorylation affects the calcium binding at both types of sites. The experiments indicate that the COOH-terminal parts of the native proteins affect the number and the nature of the protein calcium-binding sites. Proton and phosphorous NMR data demonstrate that β-COOH in aspartic acid, as well as phosphoserine, are part of the calcium-binding sites. The difference in calcium binding to salivary proteins A and C may be due at least partially to differences in the environment of one or more aspartic acids

  8. Utilization of surface active sites on gold in preparation of highly reactive interfaces for alcohols electrooxidation in alkaline media

    International Nuclear Information System (INIS)

    Cherevko, Serhiy; Kulyk, Nadiia; Chung, Chan-Hwa

    2012-01-01

    Graphical abstract: - Abstract: Pt/Au and Pd/Au surface interfaces show very high activity in electrocatalytic oxidation of alcohols in alkaline media. In this work, we present a method for preparation of such structures, which is based on galvanic displacement of the more noble gold with the less noble elements, and investigate their electrocatalytic properties. We propose that active states atoms on the surface of gold may be replaced with Pt and Pd. The generation of active sites on gold is achieved by cathodization in acidic solution. We show that depending on the cathodization time (active sites amount) gold surface electrochemistry changes from that resembling Au to the one typical for pure Pt. The Pt/Au structures prepared with a trace amount of platinum show extremely high electrocatalytic activity. The peak current of methanol oxidation on the Pt/Au electrode is more than an order of magnitude higher than that of the platinum film electrode and more than two orders of magnitude higher than that on the gold unactivated electrode. The difference in the peak current of ethanol oxidation between the Pt/Au and Pt electrodes is ca. 25 times. Moreover, similar deposition of Pt and Pd on active sites on high surface area gold prepared by hydrogen evolution assisted deposition and improved electrocatalytic properties of such structures toward alcohols oxidation is shown.

  9. Could Mineral Surfaces have Oriented Amino Acid Polymerization Towards Useful Products?

    Science.gov (United States)

    Lambert, J. F.; Sakhno, Y.; Battistella, A.; Ribetto, B.; Mezzetti, A.; Georgelin, T.; Jaber, M.; Michot, L.

    2017-07-01

    We investigated selective amino acid polymerization on the surface of silicic minerals. Specific amino acid couples were deposited on silica or clays, thermally activated, and the oligomers formed were analyzed. Very different behaviors were observed.

  10. Interaction of Palmitic Acid with Metoprolol Succinate at the Binding Sites of Bovine Serum Albumin

    Directory of Open Access Journals (Sweden)

    Mashiur Rahman

    2014-12-01

    Full Text Available Purpose: The aim of this study was to characterize the binding profile as well as to notify the interaction of palmitic acid with metoprolol succinate at its binding site on albumin. Methods: The binding of metoprolol succinate to bovine serum albumin (BSA was studied by equilibrium dialysis method (ED at 27°C and pH 7.4, in order to have an insight in the binding chemistry of the drug to BSA in presence and absence of palmitic acid. The study was carried out using ranitidine as site-1 and diazepam as site-2 specific probe. Results: Different analysis of binding of metoprolol succinate to bovine serum albumin suggested two sets of association constants: high affinity association constant (k1 = 11.0 x 105 M-1 with low capacity (n1 = 2 and low affinity association (k2 = 4.0×105 M-1 constant with high capacity (n2 = 8 at pH 7.4 and 27°C. During concurrent administration of palmitic acid and metoprolol succinate in presence or absence of ranitidine or diazepam, it was found that palmitic acid displaced metoprolol succinate from its binding site on BSA resulting reduced binding of metoprolol succinate to BSA. The increment in free fraction of metoprolol succinate was from 26.27% to 55.08% upon the addition of increased concentration of palmitic acid at a concentration of 0×10-5 M to 16×10-5 M. In presence of ranitidine and diazepam, palmitic acid further increases the free fraction of metoprolol succinate from 33.05% to 66.95% and 40.68% to 72.88%, respectively. Conclusion: This data provided the evidence of interaction at higher concentration of palmitic acid at the binding sites on BSA, which might change the pharmacokinetic properties of metoprolol succinate.

  11. Site directed mutagenesis of amino acid residues at the active site of mouse aldehyde oxidase AOX1.

    Directory of Open Access Journals (Sweden)

    Silvia Schumann

    Full Text Available Mouse aldehyde oxidase (mAOX1 forms a homodimer and belongs to the xanthine oxidase family of molybdoenzymes which are characterized by an essential equatorial sulfur ligand coordinated to the molybdenum atom. In general, mammalian AOs are characterized by broad substrate specificity and an yet obscure physiological function. To define the physiological substrates and the enzymatic characteristics of mAOX1, we established a system for the heterologous expression of the enzyme in Escherichia coli. The recombinant protein showed spectral features and a range of substrate specificity similar to the native protein purified from mouse liver. The EPR data of recombinant mAOX1 were similar to those of AO from rabbit liver, but differed from the homologous xanthine oxidoreductase enzymes. Site-directed mutagenesis of amino acids Val806, Met884 and Glu1265 at the active site resulted in a drastic decrease in the oxidation of aldehydes with no increase in the oxidation of purine substrates. The double mutant V806E/M884R and the single mutant E1265Q were catalytically inactive enzymes regardless of the aldehyde or purine substrates tested. Our results show that only Glu1265 is essential for the catalytic activity by initiating the base-catalyzed mechanism of substrate oxidation. In addition, it is concluded that the substrate specificity of molybdo-flavoenzymes is more complex and not only defined by the three characterized amino acids in the active site.

  12. Silicon dioxide surfaces with aryl interaction sites for chromatographic applications

    International Nuclear Information System (INIS)

    Gadzal-Kopciuch, R.; Kluska, M.; Welniak, M.; Buszewski, B.

    2005-01-01

    The paper presents the results of a study on aryl phases aimed at the increase of the separation selectivity of substances containing π electrons, and improving the reproducibility of retention data. The above phases contain not only a carbon chain of a different length, linking them to the support, but also one or two aromatic rings. The suitability of the newly obtained packings for the purposes of high-performance liquid chromatography was verified on the basis of a description of surface topography before and after the modification process. Various physicochemical methods were employed to determine the effectiveness of chemical modification, i.e., elemental analysis, infrared spectroscopy, and nuclear magnetic resonance. The aryl packings obtained were used for the separation of polynuclear aromatic hydrocarbons and budesonide epimers, tested under hydroorganic conditions (water/ethanol, water/methanol, water/acetonitrile). The application of a methanol/water mobile phase and a new-generation naphthylpropyl stationary phase for the separation of the 22R and 22S diastereoisomers of budesonide allowed the obtention of reproducible results and make qualitative and quantitative determinations of particular enantiomers

  13. Synthesis and HPLC evaluation of carboxylic acid phases on a hydride surface.

    Science.gov (United States)

    Pesek, Joseph J; Matyska, Maria T; Gangakhedkar, Surekha; Siddiq, Rukhsana

    2006-04-01

    Three organic moieties containing carboxylic acid functional groups are attached to a particulate silica surface through silanization/hydrosilation. Two compounds (undecylenic acid and 10-undecynoic acid) have 11 carbon chains and the other is a five-carbon acid (pentenoic acid). Bonding is confirmed through carbon elemental analysis, diffuse reflectance infrared fourier transform spectroscopy, and carbon-13 and silicon-29 CP-MAS NMR spectroscopy. The bonded phases are tested by HPLC using PTH amino acids, nucleic acids, theophylline-related compounds, anilines, benzoic acid compounds, choline, and tobramycin. The latter two compounds are used to investigate the aqueous normal phase properties of the three bonded materials.

  14. Dual Mode Fluorophore-Doped Nickel Nitrilotriacetic Acid-Modified Silica Nanoparticles Combine Histidine-Tagged Protein Purification with Site-Specific Fluorophore Labeling

    OpenAIRE

    Kim, Sung Hoon; Jeyakumar, M.; Katzenellenbogen, John A.

    2007-01-01

    We present the first example of a fluorophore-doped nickel chelate surface- modified silica nanoparticle that functions in a dual mode, combining histidine-tagged protein purification with site-specific fluorophore labeling. Tetramethylrhodamine (TMR)-doped silica nanoparticles, estimated to contain 700–900 TMRs per ca. 23-nm particle, were surface modified with nitrilotriacetic acid (NTA), producing TMR-SiO2-NTA-Ni+2. Silica-embedded TMR retains very high quantum yield, is resistant to quenc...

  15. Pancreatic hormones are expressed on the surfaces of human and rat islet cells through exocytotic sites

    DEFF Research Database (Denmark)

    Larsson, L I; Hutton, J C; Madsen, O D

    1989-01-01

    . Electron microscopy reveals the labeling to occur at sites of exocytotic granule release, involving the surfaces of extruded granule cores. The surfaces of islet cells were labeled both by polyclonal and monoclonal antibodies, excluding that receptor-interacting, anti-idiotypic hormone antibodies were...... for these results. It is concluded that the staining reflects interactions between the appropriate antibodies and exocytotic sites of hormone release....

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

    Science.gov (United States)

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

    2015-04-01

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

  17. Are carboxyl groups the most acidic sites in amino acids? Gas-phase acidities, photoelectron spectra, and computations on tyrosine, p-hydroxybenzoic acid, and their conjugate bases.

    Science.gov (United States)

    Tian, Zhixin; Wang, Xue-Bin; Wang, Lai-Sheng; Kass, Steven R

    2009-01-28

    Deprotonation of tyrosine in the gas phase was found to occur preferentially at the phenolic site, and the conjugate base consists of a 70:30 mixture of phenoxide and carboxylate anions at equilibrium. This result was established by developing a chemical probe for differentiating these two isomers, and the presence of both ions was confirmed by photoelectron spectroscopy. Equilibrium acidity measurements on tyrosine indicated that deltaG(acid)(o) = 332.5 +/- 1.5 kcal mol(-1) and deltaH(acid)(o) = 340.7 +/- 1.5 kcal mol(-1). Photoelectron spectra yielded adiabatic electron detachment energies of 2.70 +/- 0.05 and 3.55 +/- 0.10 eV for the phenoxide and carboxylate anions, respectively. The H/D exchange behavior of deprotonated tyrosine was examined using three different alcohols (CF3CH2OD, C6H5CH2OD, and CH3CH2OD), and incorporation of up to three deuterium atoms was observed. Two pathways are proposed to account for these results, and all of the experimental findings are supplemented with B3LYP/aug-cc-pVDZ and G3B3 calculations. In addition, it was found that electrospray ionization of tyrosine from a 3:1 (v/v) CH3OH/H2O solution using a commercial source produces a deprotonated [M-H]- anion with the gas-phase equilibrium composition rather than the structure of the ion that exists in aqueous media. Electrospray ionization from acetonitrile, however, leads largely to the liquid-phase (carboxylate) structure. A control molecule, p-hydroxybenzoic acid, was found to behave in a similar manner. Thus, the electrospray conditions that are employed for the analysis of a compound can alter the isomeric composition of the resulting anion.

  18. Acid-Base Behavior of Carboxylic Acid Groups Covalently Attached at the Surface of Polyethylene: The Usefulness of Contact Angle in Following the Ionization of Surface Functionality

    Science.gov (United States)

    1985-08-01

    additional check, we converted granular PE-CO 2H to granular PE-CO 2CH3 by acid -catalyzed esterification. This material had no titrable groups. Upon...Task No. NR-631-840 TECHNICAL REPORT NO. 85-1 Acid -Base Behavior of Carboxylic Acid Groups Covalently Attached at the Surface of Polyethylene: The...34I Acid -Base Behavior K-142 ofCarboxylicAcidGroupsAttached...______________________ 12. PERSIIMAL AUTHOR IS) S.R. Holmes-Farly., R.H. Reamey, T.J

  19. Dissolution of Simulated and Radioactive Savannah River Site High-Level Waste Sludges with Oxalic Acid & Citric Acid Solutions

    International Nuclear Information System (INIS)

    STALLINGS, MARY

    2004-01-01

    This report presents findings from tests investigating the dissolution of simulated and radioactive Savannah River Site sludges with 4 per cent oxalic acid and mixtures of oxalic and citric acid previously recommended by a Russian team from the Khlopin Radium Institute and the Mining and Chemical Combine (MCC). Testing also included characterization of the simulated and radioactive waste sludges. Testing results showed the following: Dissolution of simulated HM and PUREX sludges with oxalic and citric acid mixtures at SRTC confirmed general trends reported previously by Russian testing. Unlike the previous Russian testing six sequential contacts of a mixture of oxalic acid citric acids at a 2:1 ratio (v/w) of acid to sludge did not produce complete dissolution of simulated HM and PUREX sludges. We observed that increased sludge dissolution occurred at a higher acid to sludge ratio, 50:1 (v/w), compared to the recommended ratio of 2:1 (v/w). We observed much lower dissolution of aluminum in a simulated HM sludge by sodium hydroxide leaching. We attribute the low aluminum dissolution in caustic to the high fraction of boehmite present in the simulated sludge. Dissolution of HLW sludges with 4 per cent oxalic acid and oxalic/citric acid followed general trends observed with simulated sludges. The limited testing suggests that a mixture of oxalic and citric acids is more efficient for dissolving HM and PUREX sludges and provides a more homogeneous dissolution of HM sludge than oxalic acid alone. Dissolution of HLW sludges in oxalic and oxalic/citric acid mixtures produced residual sludge solids that measured at higher neutron poison to equivalent 235U weight ratios than that in the untreated sludge solids. This finding suggests that residual solids do not present an increased nuclear criticality safety risk. Generally the neutron poison to equivalent 235U weight ratios of the acid solutions containing dissolved sludge components are lower than those in the untreated

  20. Enhancement of nitric oxide release and hemocompatibility by surface chirality of D-tartaric acid grafting

    Science.gov (United States)

    Han, Honghong; Wang, Ke; Fan, Yonghong; Pan, Xiaxin; Huang, Nan; Weng, Yajun

    2017-12-01

    Nitric Oxide (NO) generation from endogenous NO-donors catalyzed by diselenide modified biomaterials has been reported. Here we reported surface chirality by L-tartaric acid and D-tartaric acid grafting on the outermost showed a significant impact on diselenide modified biomaterials, which modulated protein adsorption, NO release and anti-platelet adhesion properties. D-tartaric acid grafted surface showed more blood protein adsorption than that of L-surfaces by QCM analysis, however, ELISA analysis disclosed less fibrinogen denatured on the D surfaces. Due to the surface ratio of selenium decreasing, NO release catalyzed by L-tartaric acid grafting on the outermost significantly decreased in comparison to that of only selenocystamine immobilized surfaces. While NO release catalyzed by D-tartaric acid grafting on the outermost didn't decrease and was similar with that of selenocystamine immobilized surfaces. Surface chirality combined with NO release had synergetic effects on platelet adhesion, and it showed the lowest number of platelets adhered on the D-tartaric acid grafted surfaces. Thus surface chirality from D-tartaric acid grafting enhanced hemocompatibility of the surface in this study. Our work provides new insights into engineering novel blood contacting biomaterials by taking into account surface chirality.

  1. Effect of surface acidic oxides of activated carbon on adsorption of ammonia.

    Science.gov (United States)

    Huang, Chen-Chia; Li, Hong-Song; Chen, Chien-Hung

    2008-11-30

    The influence of surface acidity of activated carbon (AC) was experimentally studied on adsorption of ammonia (NH(3)). Coconut shell-based AC was modified by various acids at different concentrations. There were five different acids employed to modified AC, which included nitric acid, sulfuric acid, hydrochloric acid, phosphoric acid, and acetic acid. Acidic functional groups on the surface of ACs were determined by a Fourier transform infrared spectrograph (FTIR) and by the Boehm titration method. Specific surface area and pore volume of the ACs were measured by a nitrogen adsorption apparatus. Adsorption amounts of NH(3) onto the ACs were measured by a dynamic adsorption system at room temperature according to the principle of the ASTM standard test method. The concentration of NH(3) in the effluent stream was monitored by a gas-detecting tube technique. Experimental results showed that adsorption amounts of NH(3) on the modified ACs were all enhanced. The ammonia adsorption amounts on various activated carbons modified by different acids are in the following order: nitric acid>sulfuric acid>acetic acid approximately phosphoric acid>hydrochloric acid. It is worth to note that the breakthrough capacity of NH(3) is linearly proportional to the amount of acidic functional groups of the ACs.

  2. Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.

    Science.gov (United States)

    Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro

    2016-09-07

    A chiral Brønsted acid containing two different acidic sites, chiral carboxylic acid-monophosphoric acid 1a, was designed to be a new and effective concept in catalytic asymmetric hetero-Diels-Alder reactions of azopyridinecarboxylate with amidodienes. The multipoint hydrogen-bonding interactions among the carboxylic acid, monophosphoric acid, azopyridinecarboxylate, and amidodiene achieved high catalytic and chiral efficiency, producing substituted 1,2,3,6-tetrahydropyridazines with excellent stereocontrol in a single step. This constitutes the first example of regio-, diastereo-, and enantioselective azo-hetero-Diels-Alder reactions by chiral Brønsted acid catalysis.

  3. Neutron activation analysis to the profile surface sediments from several sites on the Havana Bay

    International Nuclear Information System (INIS)

    Diaz Riso, O.; Gelen, A.; Lopez, N.; Gonzalez, H.; Manso, M.V.; Graciano, A.M.; Nogueira, C.A.; Beltran, J.; Soto, J.

    2003-01-01

    Instrumental neutron activation analysis (INAA) technique was employed to analyze the surface sediments from several sites on the Havana Bay, Cuba. Measurements of heavy and trace elements in the sediments are reported. The results show that the concentration of the elements is site dependent. The data suggest that an anthropogenic input into the bay from domestic sewage and industries occurred

  4. The promoter for a variant surface glycoprotein gene expression site in Trypanosoma brucei

    NARCIS (Netherlands)

    Zomerdijk, J. C.; Ouellette, M.; ten Asbroek, A. L.; Kieft, R.; Bommer, A. M.; Clayton, C. E.; Borst, P.

    1990-01-01

    The variant-specific surface glycoprotein (VSG) gene 221 of Trypanosoma brucei is transcribed as part of a 60 kb expression site (ES). We have identified the promoter controlling this multigene transcription unit by the use of 221 chromosome-enriched DNA libraries and VSG gene 221 expression site

  5. Site specificity of biosphere parameter values in performance assessments of near-surface repositories

    International Nuclear Information System (INIS)

    Zeevaert, Th.; Volckaert, G.; Vandecasleele

    1993-01-01

    The contribution is dealing with the performance assessment model for near surface repositories in Belgium. It consists of four submodels called: site, aquifer, biosphere and dose. For some characteristic radionuclides, results of the study are shown for a typical site, and differences in doses assessed with the generic approach discussed. Shortcomings are indicated

  6. Actinide migration from contaminated soil to surface water at the rocky flats environmental technology site

    International Nuclear Information System (INIS)

    Santschi, Peter H.; Roberts, Kimberly

    2002-01-01

    Surficial soils of the Rocky Flats Environmental Technology Site (RFETS) contain elevated levels of 239,240 Pu and 241 Am due to wind dispersal of soil particles, contaminated in the 1960's by leaking drums stored on the 903 Pad. Over the past 4 years, actinide mobility in the surface environment at RFETS, Golden, Colorado, USA, was examined through field and laboratory experiments. From measurements of total 239,240 Pu and 241 Am concentrations in storm runoff and pond discharge samples, collected during spring and summer times, it was established that most of the actinide transport from contaminated soils to streams occurred in the particulate (0.45μm) and colloidal (3kDa - 0.45μm) phases. Controlled laboratory investigations of soil resuspension, indicated that remobilization of colloid-bound Pu during soil erosion events can be enhanced by humic acids. 2-D Polyacrylamide Gel electrophoresis (PAGE) experiments of radiolabeled colloidal organic and inorganic matter, extracted from RFETS soils, suggested that colloidal Pu, which was focused at pH IEP of 4.5, is mainly associated with organic (humic acids) colloids of 10-15 kDa molecular weight. Pu(IV) oxide and inorganic colloids such as iron and aluminum oxides have pH IEP of 8-10. While some clay minerals also have pH IEP of 3-5, no Al was found coincident with Pu. This finding has important ramifications for possible remediation, erosion controls, and land-management strategies. (author)

  7. Ammonia IRMS-TPD study on the distribution of acid sites in mordenite.

    Science.gov (United States)

    Niwa, Miki; Suzuki, Katsuki; Katada, Naonobu; Kanougi, Tomonori; Atoguchi, Takashi

    2005-10-13

    Using an IRMS-TPD (temperature programmed desorption) of ammonia, we studied the nature, strength, crystallographic location, and distribution of acid sites of mordenite. In this method, infrared spectroscopy (IR) and mass spectroscopy (MS) work together to follow the thermal behavior of adsorbed and desorbed ammonia, respectively; therefore, adsorbed species were identified, and their thermal behavior was directly connected with the desorption of ammonia during an elevation of temperature. IR-measured TPD of the NH4(+) cation was similar to MS-measured TPD, thus showing the nature of Brønsted acidity. From the behavior of OH bands, it was found that the Brønsted acid sites consisted of two kinds of OH bands at high and low wavenumbers, ascribable to OH bands situated on 12- and 8-member rings (MR) of mordenite structure, respectively. The amount and strength of these Brønsted hydroxyls were measured quantitatively based on a theoretical equation using a curve fitting method. Up to ca. 30% of the exchange degree, NH4(+) was exchanged with Na+ on the 12-MR to arrive at saturation; therefore, in this region, the Brønsted acid site was situated on the large pore of 12-MR. The NH4(+) cation was then exchanged with Na+ on 8-MR, and finally exceeded the amount on 12-MR. In the 99% NH4-mordenite, Brønsted acid sites were located predominantly on the 8-MR more than on the 12-MR. Irrespective of the NH4(+) exchange degree, the strengths deltaH of Brønsted OH were 145 and 153 kJ mol(-1) on the 12- and 8-MR, respectively; that is, the strength of Brønsted acid site on the 8-MR was larger than that on the 12-MR. A density functional theory (DFT) calculation supported the difference in the strengths of the acid sites. Catalytic cracking activity of the Brønsted acid sites on the 8-MR declined rapidly, while that on the 12-MR was remarkably kept. The difference in strength and/or steric capacity may cause such a difference in the life of a catalyst.

  8. Boosted surface acidity in TiO{sub 2} and Al{sub 2}O{sub 3}-TiO{sub 2} nanotubes as catalytic supports

    Energy Technology Data Exchange (ETDEWEB)

    Camposeco, R. [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico); Department of Chemistry, UAM-A, 55534, México, D.F. (Mexico); Castillo, S., E-mail: scastill@imp.mx [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico); Department of Chemical Engineering, ESIQIE-IPN, 75876, México, D.F. (Mexico); Mejía-Centeno, Isidro; Navarrete, J.; Nava, N. [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico)

    2015-11-30

    Graphical abstract: - Highlights: • Surface acidity of NTs was modified by adding alumina. • Brönsted acid sites remain constant but Lewis acid sites are increased remarkably. • IR characterization by lutidine and pyridine confirms the surface acidity of NTs. • 98% of NO conversion was reached between 380 and 480 °C on NT-5Al. • The boosted surface acidity of NT-Al improves the catalytic activity for SCR-NO. - Abstract: In this study, titanate nanotubes (NT) and titanate nanotubes with alumina (NT-Al) were studied as solid acid catalytic supports to show the relationship between the kind of acidity and catalytic activity. The supports were characterized by XRD, TEM, FTIR, XPS, and tested in the SCR-NO with NH{sub 3}. It was found that the amount of Brönsted acid sites was maintained and the Lewis acid sites were significantly affected by the addition of alumina (1, 3, 5 and 10 wt.%); such acidity was higher than that of the titanate nanotubes (NT) by two-fold. To confirm the formation of titanate nanotubes and titanate nanotubes with alumina, transmission electron microscopy (TEM) was used. X-ray diffraction (XRD) revealed the formation of the H{sub 2}Ti{sub 4}O{sub 9}·H{sub 2}O phase. All NT and NT-Al supports presented catalytic activity to remove NO with NH{sub 3} under lean conditions, confirming the presence of an important amount of Brönsted and Lewis acid sites in both NT and NT-Al supports.

  9. Fluoride adsorption on goethite in relation to different types of surface sites

    NARCIS (Netherlands)

    Hiemstra, T.; Riemsdijk, van W.H.

    2000-01-01

    Metal (hydr)oxides have different types of surface groups. Fluoride ions have been used as a probe to assess the number of surface sites. We have studied the F− adsorption on goethite by measuring the F− and H interaction and F− adsorption isotherms. Fluoride ions exchange against singly coordinated

  10. Basement Surface Faulting and Topography for Savannah River Site and Vicinity

    International Nuclear Information System (INIS)

    Cumbest, R.J.

    1998-01-01

    This report integrates the data from more than 60 basement borings and over 100 miles of seismic reflection profiling acquired on the Savannah River Site to map the topography of the basement (unweathered rock) surface and faulting recorded on this surface

  11. Spectroscopic link between adsorption site occupation and local surface chemical reactivity

    DEFF Research Database (Denmark)

    Baraldi, A.; Lizzit, S.; Comelli, G.

    2004-01-01

    rules, from which adsorption sites are directly determined. Theoretical calculations rationalize the results for transition metal surfaces in terms of the energy shift of the d-band center of mass and this proves that adsorbate-induced SCL shifts provide a spectroscopic measure of local surface...

  12. 30 CFR 71.500 - Sanitary toilet facilities at surface work sites; installation requirements.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Sanitary toilet facilities at surface work sites; installation requirements. 71.500 Section 71.500 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY HEALTH STANDARDS-SURFACE COAL MINES AND...

  13. Geology, physical properties, and surface effects at Discus Thrower Site, Yucca Flat, Nevada Test Site

    International Nuclear Information System (INIS)

    Carr, W.J.; Miller, C.H.; Dodge, H.W. Jr.

    1975-01-01

    Geologic studies in connection with Project Discus Thrower have furnished detailed stratigraphic and structural information about northwestern Yucca Flat, Nevada Test Site. The Paleozoic rocks consist of a lower carbonate sequence, argillite of the Eleana Formation, and an upper carbonate sequence. The distribution of these rocks suggests that both top and bottom of the Eleana are structural contacts, probably thrusts or reverse faults. The overlying tuff includes several units recognized in the subsurface, such as the Fraction Tuff and tuff of Redrock Valley. Other units recognized include bedded tuff associated with the Grouse Canyon Member of Belted Range Tuff, and the Rainier Mesa and Ammonia Tanks Members of the Timber Mountain Tuff. The Timber Mountain and Grouse Canyon are extensively altered to montmorillonite (a swelling clay), possibly as a result of ponding of alkaline water. The overlying alluvium locally contains at the base a clayey, tuffaceous sandstone

  14. Identification of candidate sites for a near surface repository for radioactive waste

    International Nuclear Information System (INIS)

    Motiejunas, S.

    2004-01-01

    This Report comprises results of the area survey stage, which involves regional screening to define the regions of interest and identification of potential sites within suitable regions. The main goal was to define a few sites potentially suitable for constructing of the near surface repository. It was concluded that a vicinity of Ignalina NPP is among the best suitable regions for the near surface repository. At the present investigation level a ridge in Galilauke village has the most favorable conditions. However, Apvardai site is potentially suitable for the repository too

  15. Surface and subsurface characterization of uranium contamination at the Fernald environmental management site

    International Nuclear Information System (INIS)

    Schilk, A.J.; Perkins, R.W.; Abel, K.H.; Brodzinski, R.L.

    1993-04-01

    The past operations of uranium production and support facilities at several Department of Energy (DOE) sites have occasionally resulted in the local contamination of some surface and subsurface soils, and the three-dimensional distribution of the uranium at these sites must be thoroughly characterized before any effective remedial protocols can be established. To this end, Pacific Northwest Laboratory (PNL) has been tasked by the DOE's Office of Technology Development with adapting, developing, and demonstrating technologies for the measurement of uranium in surface and subsurface soils at the Fernald Uranium in Soils Integrated Demonstration site. These studies are detailed in this report

  16. The roles of phosphate and tungstate species in surface acidities of TiO2-ZrO2 binary oxides - A comparison study

    Science.gov (United States)

    Chaudhary, Manchal; Shen, Po-fan; Chang, Sue-min

    2018-05-01

    Porous tungstated and phosphated TiO2-ZrO2 (TZ) binary oxides with high and strong acidity were successfully prepared by means of sol-gel or impregnation approaches. In addition, the influences of the two types of modifiers on the microstructures and acidity were systematically examined, compared, and clarified. The TZ oxide derived from a surfactant-templating method exhibited a high surface area of 195 m2/g with a pore size of 6.3 nm. Moreover, it had a high acidity of 859 μmol/g with a density of 4.4 μmol/nm2 because of defective surface. Phosphation significantly increased the acidity to 1547 μmol/g and showed the highest acid density of 6.7 μmol/nm2 at a surface P density of 22.7P/nm2. On the other hand, tungstated compounds just showed the highest acidity of 972 μmol/g and the highest acid density of 4.8 μmol/nm2 at 4.7 W/nm2. Compared to tungstate species, phosphate anions are more capable of promoting the acidity because they are able to distort the host network and inhibit elemental rearrangement. While Lewis acidity prevailed in the tungstated compounds, Brønsted acidity was dominant in the phosphated oxides. The Wdbnd O and Psbnd OH groups were responsible for strong acidity in the modified compounds. Phosphated compounds formed strong Brønsted acid sites on the Psbnd OH groups with a particular strength, and tungstation produced Lewis acid sites with a continuous strength on the metal ions adjacent to the tungstate moieties. Cyclic NH3 adsorption-desorption processes revealed that the active sites for NH3 adsorption were stable in both the tungstate and phosphate modified compounds, revealing that these solid acids are promising as the adsorbents for removal of base gases.

  17. Spontaneous dispersion of PdO onto acid sites of zeolites studied by in situ DXAFS

    CERN Document Server

    Okumura, K; Niwa, M; Yokota, S; Kato, K; Tanida, H; Uruga, T

    2003-01-01

    The generation of highly dispersed PdO over zeolite supports was studied using in situ energy-dispersive XAFS (DXAFS) technique. From the comparison with the Na-ZSM-5, it was found that the oxidation as well as the spontaneous dispersion of Pd was promoted through the interaction between PdO and acid sites of H-form zeolites. (author)

  18. Acidic deposition: State of science and technology. Report 11. Historical changes in surface-water acid-base chemistry in response to acidic deposition. Final report

    International Nuclear Information System (INIS)

    Sullivan, T.J.; Small, M.J.; Kingston, J.C.; Bernert, J.A.; Thomas, D.R.

    1990-09-01

    The objectives of the analyses reported in the State of Science report are to: identify the lake and stream populations in the United States that have experienced chronic changes in biologically significant constituents of surface water chemistry (e.g. pH, Al) in response to acidic deposition; quantify biologically meaningful historical changes in chronic surface water chemistry associated with acidic deposition, with emphasis on ANC, pH, and Al; estimate the proportion of lakes nor acidic that were not acidic in pre-industrial times; estimate the proportional response of each of the major chemical constituents that have changed in response to acidic deposition using a subset of statistically selected Adirondack lakes for which paleolimnological reconstructions of pre-industrial surface water chemistry have been performed; evaluate and improve, where appropriate and feasible, empirical models of predicting changes in ANC; and evaluate the response of seepage lakes to acidic deposition

  19. Respiratory effects of kynurenic acid microinjected into the ventromedullary surface of the rat

    Directory of Open Access Journals (Sweden)

    F.P. Tolentino-Silva

    1998-10-01

    Full Text Available Several studies demonstrate that, within the ventral medullary surface (VMS, excitatory amino acids are necessary components of the neural circuits involved in the tonic and reflex control of respiration and circulation. In the present study we investigated the cardiorespiratory effects of unilateral microinjections of the broad spectrum glutamate antagonist kynurenic acid (2 nmol/200 nl along the VMS of urethane-anesthetized rats. Within the VMS only one region was responsive to this drug. This area includes most of the intermediate respiratory area, partially overlapping the rostral ventrolateral medulla (IA/RVL. When microinjected into the IA/RVL, kynurenic acid produced a respiratory depression, without changes in mean arterial pressure or heart rate. The respiratory depression observed was characterized by a decrease in ventilation, tidal volume and mean inspiratory flow and an increase in respiratory frequency. Therefore, the observed respiratory depression was entirely due to a reduction in the inspiratory drive. Microinjections of vehicle (200 nl of saline into this area produced no significant changes in breathing pattern, blood pressure or heart rate. Respiratory depression in response to the blockade of glutamatergic receptors inside the rostral VMS suggests that neurons at this site have an endogenous glutamatergic input controlling the respiratory cycle duration and the inspiratory drive transmission.

  20. Probability of growth of small damage sites on the exit surface of fused silica optics.

    Science.gov (United States)

    Negres, Raluca A; Abdulla, Ghaleb M; Cross, David A; Liao, Zhi M; Carr, Christopher W

    2012-06-04

    Growth of laser damage on fused silica optical components depends on several key parameters including laser fluence, wavelength, pulse duration, and site size. Here we investigate the growth behavior of small damage sites on the exit surface of SiO₂ optics under exposure to tightly controlled laser pulses. Results demonstrate that the onset of damage growth is not governed by a threshold, but is probabilistic in nature and depends both on the current size of a damage site and the laser fluence to which it is exposed. We also develop models for use in growth prediction. In addition, we show that laser exposure history also influences the behavior of individual sites.

  1. Bacterial periplasmic sialic acid-binding proteins exhibit a conserved binding site

    Energy Technology Data Exchange (ETDEWEB)

    Gangi Setty, Thanuja [Institute for Stem Cell Biology and Regenerative Medicine, NCBS Campus, GKVK Post, Bangalore, Karnataka 560 065 (India); Cho, Christine [Carver College of Medicine, University of Iowa, Iowa City, IA 52242-1109 (United States); Govindappa, Sowmya [Institute for Stem Cell Biology and Regenerative Medicine, NCBS Campus, GKVK Post, Bangalore, Karnataka 560 065 (India); Apicella, Michael A. [Carver College of Medicine, University of Iowa, Iowa City, IA 52242-1109 (United States); Ramaswamy, S., E-mail: ramas@instem.res.in [Institute for Stem Cell Biology and Regenerative Medicine, NCBS Campus, GKVK Post, Bangalore, Karnataka 560 065 (India)

    2014-07-01

    Structure–function studies of sialic acid-binding proteins from F. nucleatum, P. multocida, V. cholerae and H. influenzae reveal a conserved network of hydrogen bonds involved in conformational change on ligand binding. Sialic acids are a family of related nine-carbon sugar acids that play important roles in both eukaryotes and prokaryotes. These sialic acids are incorporated/decorated onto lipooligosaccharides as terminal sugars in multiple bacteria to evade the host immune system. Many pathogenic bacteria scavenge sialic acids from their host and use them for molecular mimicry. The first step of this process is the transport of sialic acid to the cytoplasm, which often takes place using a tripartite ATP-independent transport system consisting of a periplasmic binding protein and a membrane transporter. In this paper, the structural characterization of periplasmic binding proteins from the pathogenic bacteria Fusobacterium nucleatum, Pasteurella multocida and Vibrio cholerae and their thermodynamic characterization are reported. The binding affinities of several mutations in the Neu5Ac binding site of the Haemophilus influenzae protein are also reported. The structure and the thermodynamics of the binding of sugars suggest that all of these proteins have a very well conserved binding pocket and similar binding affinities. A significant conformational change occurs when these proteins bind the sugar. While the C1 carboxylate has been identified as the primary binding site, a second conserved hydrogen-bonding network is involved in the initiation and stabilization of the conformational states.

  2. Identification of nucleic acid binding sites on translin-associated factor X (TRAX protein.

    Directory of Open Access Journals (Sweden)

    Gagan Deep Gupta

    Full Text Available Translin and TRAX proteins play roles in very important cellular processes such as DNA recombination, spatial and temporal expression of mRNA, and in siRNA processing. Translin forms a homomeric nucleic acid binding complex and binds to ssDNA and RNA. However, a mutant translin construct that forms homomeric complex lacking nucleic acid binding activity is able to form fully active heteromeric translin-TRAX complex when co-expressed with TRAX. A substantial progress has been made in identifying translin sites that mediate its binding activity, while TRAX was thought not to bind DNA or RNA on its own. We here for the first time demonstrate nucleic acid binding to TRAX by crosslinking radiolabeled ssDNA to heteromeric translin-TRAX complex using UV-laser. The TRAX and translin, photochemically crosslinked with ssDNA, were individually detected on SDS-PAGE. We mutated two motifs in TRAX and translin, designated B2 and B3, to help define the nucleic acid binding sites in the TRAX sequence. The most pronounced effect was observed in the mutants of B3 motif that impaired nucleic acid binding activity of the heteromeric complexes. We suggest that both translin and TRAX are binding competent and contribute to the nucleic acid binding activity.

  3. Identification of Nucleic Acid Binding Sites on Translin-Associated Factor X (TRAX) Protein

    Science.gov (United States)

    Gupta, Gagan Deep; Kumar, Vinay

    2012-01-01

    Translin and TRAX proteins play roles in very important cellular processes such as DNA recombination, spatial and temporal expression of mRNA, and in siRNA processing. Translin forms a homomeric nucleic acid binding complex and binds to ssDNA and RNA. However, a mutant translin construct that forms homomeric complex lacking nucleic acid binding activity is able to form fully active heteromeric translin-TRAX complex when co-expressed with TRAX. A substantial progress has been made in identifying translin sites that mediate its binding activity, while TRAX was thought not to bind DNA or RNA on its own. We here for the first time demonstrate nucleic acid binding to TRAX by crosslinking radiolabeled ssDNA to heteromeric translin-TRAX complex using UV-laser. The TRAX and translin, photochemically crosslinked with ssDNA, were individually detected on SDS-PAGE. We mutated two motifs in TRAX and translin, designated B2 and B3, to help define the nucleic acid binding sites in the TRAX sequence. The most pronounced effect was observed in the mutants of B3 motif that impaired nucleic acid binding activity of the heteromeric complexes. We suggest that both translin and TRAX are binding competent and contribute to the nucleic acid binding activity. PMID:22427937

  4. Bacterial periplasmic sialic acid-binding proteins exhibit a conserved binding site

    International Nuclear Information System (INIS)

    Gangi Setty, Thanuja; Cho, Christine; Govindappa, Sowmya; Apicella, Michael A.; Ramaswamy, S.

    2014-01-01

    Structure–function studies of sialic acid-binding proteins from F. nucleatum, P. multocida, V. cholerae and H. influenzae reveal a conserved network of hydrogen bonds involved in conformational change on ligand binding. Sialic acids are a family of related nine-carbon sugar acids that play important roles in both eukaryotes and prokaryotes. These sialic acids are incorporated/decorated onto lipooligosaccharides as terminal sugars in multiple bacteria to evade the host immune system. Many pathogenic bacteria scavenge sialic acids from their host and use them for molecular mimicry. The first step of this process is the transport of sialic acid to the cytoplasm, which often takes place using a tripartite ATP-independent transport system consisting of a periplasmic binding protein and a membrane transporter. In this paper, the structural characterization of periplasmic binding proteins from the pathogenic bacteria Fusobacterium nucleatum, Pasteurella multocida and Vibrio cholerae and their thermodynamic characterization are reported. The binding affinities of several mutations in the Neu5Ac binding site of the Haemophilus influenzae protein are also reported. The structure and the thermodynamics of the binding of sugars suggest that all of these proteins have a very well conserved binding pocket and similar binding affinities. A significant conformational change occurs when these proteins bind the sugar. While the C1 carboxylate has been identified as the primary binding site, a second conserved hydrogen-bonding network is involved in the initiation and stabilization of the conformational states

  5. A review of acid drainage from waste rock dumps and mine sites (Australian and Scandinavia)

    International Nuclear Information System (INIS)

    Harries, J.R.

    1990-05-01

    This report reviews the literature from Australia and Scandinavia on acid drainage from pyritic waste rock dumps with an emphasis on measurements and theory of processes that control the rage of oxidation and the release of pollutants. Conditions within waste rock dumps have been measured at several mine sites and a range of rehabilitation treatments have been tried to reduce the release of pollutants. A number of models have been proposed to calculate air flow, water transport and geochemistry. The data and experience at the mine sites are compared with predictions of the models. Details of Australian and Swedish mine sites where waste rock is a source of acid drainage are described in the Appendices. 92 refs., 2 tabs., 10 figs

  6. Catalytic Pyrolysis of Chilean Oak: Influence of Brønsted Acid Sites of Chilean Natural Zeolite

    Directory of Open Access Journals (Sweden)

    Serguei Alejandro Martín

    2017-11-01

    Full Text Available This paper proposes the Chilean natural zeolite as catalyst on bio-oil upgrade processes. The aim of this study was to analyze chemical composition of bio-oil samples obtained from catalytic pyrolysis of Chilean native oak in order to increase bio-oil stability during storage. In order to identify chemical compounds before and after storage, biomass pyrolysis was carried out in a fixed bed reactor at 623 K and bio-oil samples were characterized by gas chromatography/mass spectrophotometry (GC/MS. A bio-oil fractionation method was successfully applied here. Results indicate that bio-oil viscosity decreases due to active sites on the zeolite framework. Active acids sites were associated with an increment of alcohols, aldehydes, and hydrocarbon content during storage. Higher composition on aldehydes and alcohols after storage could be attributed to the occurrence of carbonyl reduction reactions that promotes them. These reactions are influenced by zeolite surface characteristics and could be achieved via the direct contribution of Brønsted acid sites to Chilean natural zeolite.

  7. Acid-base properties of the surface of the α-Al2O3 suspension

    Science.gov (United States)

    Ryazanov, M. A.; Dudkin, B. N.

    2009-12-01

    The distribution of the acid-base centers on the surface of α-Al2O3 suspension particles was studied by potentiometric titration, and the corresponding p K spectra were constructed. It was inferred that the double electric layer created by the supporting electrolyte substantially affected the screening of the acid-base centers on the particle surface of the suspension.

  8. Effect of the association between citric acid and EDTA on root surface etching.

    Science.gov (United States)

    Manzolli Leite, Fabio Renato; Nascimento, Gustavo Giacomelli; Manzolli Leite, Elza Regina; Leite, Amauri Antiquera; Cezar Sampaio, Josá Eduardo

    2013-09-01

    This study aims to compare the clot stabilization on root surfaces conditioned with citric acid and ethylenediamine-tetraacetic acid (EDTA). Scaled root samples (n = 100) were set in fve groups: group I-control group (saline solution); group II (24% EDTA); group III (25% citric acid); group IV (EDTA + citric acid); group V (citric acid + EDTA). Fifty samples were assessed using the root surface modifcation index (RSMI). The other 50 received a blood drop after conditioning. Clot formation was assessed using blood elements adhesion index (BEAI). A blind examiner evaluated photomicrographs. Statistical analysis considered p EDTA employment before citric acid (group-IV) reduced clot formation in comparison to citric acid use alone (group-III). Root conditioning with citric acid alone and before EDTA had the best results for smear layer removal and clot stabilization. EDTA inhibited clot stabilization on root surface and must have a residual activity once it has diminished clot adhesion to root even after citric acid conditioning. Thus, EDTA can be used to neutralize citric acid effects on periodontal cells without affecting clot stabilization. Clinical signifcance: To demonstrate that citric acid use on root surfaces previously affected by periodontal disease may favor clot stabilization and may have a benefcial effect on surgical outcomes. Also, EDTA can be used to neutralize citric acid effects on periodontal cells.

  9. Physical-chemical properties of the surface of B2O3-P2O5-MeOx/SiO2 catalysts and its effect on the parameters of the process of aldol condensation of propionic acid with formaldehyde

    International Nuclear Information System (INIS)

    Yivasyiv, V.V.; Pyikh, Z.G.; Zhiznevs'kij, V.M.; Nebesnij, R.V.

    2011-01-01

    Effect of catalyst B 2 O 3 -P 2 O 5 -MeO x /SiO 2 composition on its physical-chemical properties has been investigated. Relations between physical-chemical and catalytic properties of catalysts in the gas-phase reaction of propionic acid with formaldehyde to methacrylic acid have been found. Effect of the specific surface area and the specific surface acidity on the propionic acid conversion has been determined. Effect of the acidic active site's strength on the selectivity of reaction products has been determined. It has been pointed that methacrylic acid is formed on the moderate strength acidic active sites, whereas the by-product (diethyl ketone) - on the strong acidic active sites of the catalyst.

  10. A new corresponding state-based correlation for the surface tension of organic fatty acids

    Science.gov (United States)

    Zhang, Cuihua; Tian, Jianxiang; Zheng, Mengmeng; Yi, Huili; Zhang, Laibin; Liu, Shuzhen

    2018-01-01

    In this paper, we proposed a new corresponding state-based correlation for organic fatty (aliphatic, carboxylic and polyfunctional) acids. By using the recently published surface tension data of the 99 acids [A. Mulero and I. Cachadiña, J. Phys. Chem. Ref. Data 45 (2016) 033105] and comparing with the recently published other corresponding state correlations, we found that this correlation reproduces the lowest absolute average deviation (AAD) values for 82 acids out of the 99 acids. It can reproduce the surface tension data with AAD less than 10% for 89 out of the 99 acids.

  11. Site competition on metal surfaces: an electron spectroscopic study of sequential adsorption on W(110)

    International Nuclear Information System (INIS)

    Steinkilberg, M.; Menzel, D.

    1977-01-01

    Using UPS and XPS, the sequential adsorption of hydrogen + carbon monoxide, and of hydrogen + oxygen, on W(110) has been studied at room temperature. Adsorption of CO on a H-covered surface is rapid and leads to total displacement of hydrogen. The resulting CO layer however, is different from that formed on the clean surface under identical conditions, in that it consists of a higher percentage of virgin CO, while considerably more β-CO forms on the clean surface. Oxygen does not adsorb on a H-covered surface, nor displace hydrogen. It is concluded that hydrogen most probably occupies the same sites utilized by dissociative adsorption of CO and oxygen, while virgin CO can also occupy different sites; its adsorption can thus lead to interactional weakening of the H-surface bond. (Auth.)

  12. Response Surface Optimized Extraction of Total Triterpene Acids ...

    African Journals Online (AJOL)

    Purpose: To optimize extraction of total triterpene acids from loquat leaf and evaluate their in vitro antioxidant activities. Methods: The independent variables were ethanol concentration, extraction time, and solvent ratio, while the dependent variable was content of total triterpene acids. Composite design and response ...

  13. Cesium Salts of Phosphotungstic Acid: Comparison of Surface ...

    African Journals Online (AJOL)

    NICO

    acidity and lowest solubility in reaction media in comparison with the other cesium content salts. KEYWORDS. Polyoxometalates, cesium ... insoluble salt of HPA is cesium salt of tungstophosphoric acid,. CsxH3-xPW12O40 (CsxPW), a ... of Cs2CO3, very fine particles (precipitates) were formed to make the solution milky.

  14. Surface Properties and Characteristics of Mars Landing Sites from Remote Sensing Data and Ground Truth

    Science.gov (United States)

    Golombek, M. P.; Haldemann, A. F.; Simpson, R. A.; Furgason, R. L.; Putzig, N. E.; Huertas, A.; Arvidson, R. E.; Heet, T.; Bell, J. F.; Mellon, M. T.; McEwen, A. S.

    2008-12-01

    Surface characteristics at the six sites where spacecraft have successfully landed on Mars can be related favorably to their signatures in remotely sensed data from orbit and from the Earth. Comparisons of the rock abundance, types and coverage of soils (and their physical properties), thermal inertia, albedo, and topographic slope all agree with orbital remote sensing estimates and show that the materials at the landing sites can be used as ground truth for the materials that make up most of the equatorial and mid- to moderately high-latitude regions of Mars. The six landing sites sample two of the three dominant global thermal inertia and albedo units that cover ~80% of the surface of Mars. The Viking, Spirit, Mars Pathfinder, and Phoenix landing sites are representative of the moderate to high thermal inertia and intermediate to high albedo unit that is dominated by crusty, cloddy, blocky or frozen soils (duricrust that may be layered) with various abundances of rocks and bright dust. The Opportunity landing site is representative of the moderate to high thermal inertia and low albedo surface unit that is relatively dust free and composed of dark eolian sand and/or increased abundance of rocks. Rock abundance derived from orbital thermal differencing techniques in the equatorial regions agrees with that determined from rock counts at the surface and varies from ~3-20% at the landing sites. The size-frequency distributions of rocks >1.5 m diameter fully resolvable in HiRISE images of the landing sites follow exponential models developed from lander measurements of smaller rocks and are continuous with these rock distributions indicating both are part of the same population. Interpretation of radar data confirms the presence of load bearing, relatively dense surfaces controlled by the soil type at the landing sites, regional rock populations from diffuse scattering similar to those observed directly at the sites, and root-mean-squared slopes that compare favorably

  15. Formation of Broensted acids sites in the reaction of cyclohexanol on NaCeY zeolites

    International Nuclear Information System (INIS)

    Vogt, O.; Nattich, M.; Datka, J.; Gil, B.

    2002-01-01

    This study was undertaken to elucidate why the catalytic activity of NaCeY in cyclohexanol reactions carried out in a pulse reactor increases with the pulse number. We studied therefore the effect of cyclohexanol and also of ethanol and water on catalytic activity NaCeY (of exchange degrees 36 and 72%) in cyclohexanol reactions: isomerization and disproportionation. We also studied the reaction of cyclohexanol and water with NaCeY zeolite by IR spectroscopy. Our results evidenced that new Broensted acid sites were formed by the reaction of cyclohexanol and water. This was shown by IR spectroscopy: the increase of Si-O 1 H-Al band 3638 cm -1 and in increase of ammonium ions band (upon ammonia adsorption). The new sites were formed by hydrolysis of Ce 3+ ions with water introduced in a pulse, or produced by dehydration of cyclohexanol catalyzed by acid sites. Formation of new Broensted acid sites resulted in an increase of catalytic activity of NaCeY in cyclohexane reaction as observed in this study and also in cyclohexanol reactions. (author)

  16. Response Surface Optimized Extraction of Total Triterpene Acids ...

    African Journals Online (AJOL)

    Tropical Journal of Pharmaceutical Research May 2014; 13 (5): 787-792 ... surface method were used to optimize the extraction process, while antioxidant activity was evaluated in vitro using α ... Response surface methodology is increasingly.

  17. Fundamental Mechanistic Understanding of Electrocatalysis of Oxygen Reduction on Pt and Non-Pt Surfaces: Acid versus Alkaline Media

    Directory of Open Access Journals (Sweden)

    Nagappan Ramaswamy

    2012-01-01

    Full Text Available Complex electrochemical reactions such as Oxygen Reduction Reaction (ORR involving multi-electron transfer is an electrocatalytic inner-sphere electron transfer process that exhibit strong dependence on the nature of the electrode surface. This criterion (along with required stability in acidic electrolytes has largely limited ORR catalysts to the platinum-based surfaces. New evidence in alkaline media, discussed here, throws light on the involvement of surface-independent outer-sphere electron transfer component in the overall electrocatalytic process. This surface non-specificity gives rise to the possibility of using a wide-range of non-noble metal surfaces as electrode materials for ORR in alkaline media. However, this outer-sphere process predominantly leads only to peroxide intermediate as the final product. The importance of promoting the electrocatalytic inner-sphere electron transfer by facilitation of direct adsorption of molecular oxygen on the active site is emphasized by using pyrolyzed metal porphyrins as electrocatalysts. A comparison of ORR reaction mechanisms between acidic and alkaline conditions is elucidated here. The primary advantage of performing ORR in alkaline media is found to be the enhanced activation of the peroxide intermediate on the active site that enables the complete four-electron transfer. ORR reaction schemes involving both outer- and inner-sphere electron transfer mechanisms are proposed.

  18. Recent progress in synthesis and surface functionalization of mesoporous acidic heterogeneous catalysts for esterification of free fatty acid feedstocks: A review

    International Nuclear Information System (INIS)

    Soltani, Soroush; Rashid, Umer; Al-Resayes, Saud Ibrahim; Nehdi, Imededdine Arbi

    2017-01-01

    Highlights: • Mesoporous catalysts have potential to esterify the wastes feedstocks. • Surface area of mesoporous catalysts depends on materials synthesis methods. • Hydrophobic surface of sulfonated catalyst causes adsorption on FFA particles. • Mesoporous catalysts have large active sites to trap free fatty acids particles. • Recyclability of mesoporous catalyst is a key feature for biodiesel production. - Abstract: Biodiesel is considered as a sulfur free, non-toxic and biodegradable source of energy and its burning provide less pollution than petroleum based fuels. In case of using fried waste oils, animal’s fats and waste cultivated oil which contain high free fatty acid (FFA), esterification is taking place. Through esterification reaction, catalyst is an integral part which accelerates the FFA conversion to the methyl ester (ME) in shorter reaction time. Although, most of the current catalysts have some defect such as poor recyclability, less surface area and poor porosity. Mesoporous materials have been recently attracted remarkable interests because of its desirable properties, such as large and harmonized surface area, tuneable mesoporous channels with flexible pore size, excellent thermal stability, and post-functionalization surface characteristics. The combination of remarkable physico-chemical and textural properties as well as high activity has proposed them as advanced materials. In this review, it has been attempted to present the details of fundamental properties of mesoporous catalysts, various synthetic methods and formation mechanisms, and surface functionalization methodologies. The effects of various factors (such as surface area, porosity, acidity, post-calcination temperature, and reaction parameters) on esterification of different feedstocks are discussed in detail. Furthermore, the kinetic study of esterification reaction in the presence of mesoporous catalysts is also elaborated. At the end, remarkable challenges and outlooks

  19. May 2012 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    International Nuclear Information System (INIS)

    2012-01-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 9-10, 2012, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location Johnson Artesian WL. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry and for tritium using the conventional and enrichment methods. Results of this monitoring at the Rio Blanco site demonstrate that groundwater and surface water outside the site boundaries have not been affected by project-related contaminants.

  20. Concentration of uranium in the drinking and surface water around the WIPP site

    International Nuclear Information System (INIS)

    Khaing, H.; Lemons, B.G.; Thakur, P.

    2016-01-01

    Activity concentration of uranium isotopes ( 238 U, 234 U and 235 U) were analyzed in drinking and surface water samples collected in the vicinity of the WIPP site using alpha spectroscopy. The purpose of this study was to investigate the changes in uranium concentrations (if any) in the vicinity of the WIPP site and whether the February 14, 2014 radiation release event at the WIPP had any detectable impact on the water bodies around the WIPP. (author)

  1. Site characterization field manual for near surface geologic disposal of low-level radioactive waste

    International Nuclear Information System (INIS)

    McCray, J.G.; Nowatzki, E.A.

    1985-01-01

    This field manual has been developed to aid states and regions to do a detailed characterization of a proposed near-surface low-level waste disposal site. The field manual is directed at planners, staff personnel and experts in one discipline to acquaint them with the requirements of other disciplines involved in site characterization. While it can provide a good review, it is not designed to tell experts how to do their job within their own discipline

  2. Aerosol measurements at the Southern Great Plains Site: Design and surface installation

    Energy Technology Data Exchange (ETDEWEB)

    Leifer, R.; Knuth, R.H.; Guggenheim, S.F.; Albert, B. [Department of Energy, New York, NY (United States)

    1996-04-01

    To impropve the predictive capabilities of the Atmospheric Radiation Measurements (ARM) program radiation models, measurements of awserosol size distributions, condensation particle concentrations, aerosol scattering coefficients at a number of wavelenghts, and the aerosol absorption coefficients are needed at the Southern Great Plains (SGP) site. Alos, continuous measurements of ozone concnetrations are needed for model validation. The environmental Measuremenr Laboratory (EMK) has the responsibility to establish the surface aerosol measurements program at the SGP site. EML has designed a special sampling manifold.

  3. Surface acidity of calcium phosphate and calcium hydroxyapatite: FTIR spectroscopic study of low-temperature CO adsorption

    International Nuclear Information System (INIS)

    Pekounov, Yassen; Chakarova, Kristina; Hadjiivanov, Konstantin

    2009-01-01

    The surface properties of calcium phosphate precursor (CP) and crystalline calcium hydroxyapatite (HA) prepared biomimetically have been studied by IR spectroscopy of adsorbed CO. Both samples are characterized by the absence of Bronsted acidity. Low-temperature CO adsorption on CP evacuated at 523 K leads to formation of only one family of Ca 2+ -CO species (2168 cm -1 ). The analysis indicates that the respective calcium ions on the surface are not isolated. Similar spectra were obtained with HA evacuated at 573 K. In this case, however, the Ca 2+ -CO band was detected at 2165 cm -1 due to enhanced lateral interaction between the adsorbed CO molecules. Another family of Ca 2+ sites (Ca 2+ -CO band at 2178 cm -1 ) was created after evacuation of the HA sample at 673 K. These sites were assumed to be a result of sample dehydroxylation. The results demonstrate the absence of any protonic acidity of the samples (i.e. P-OH surface groups) and weak electrostatic Lewis acidity caused by coordinatively unsaturated Ca 2+ cations.

  4. Active-site titration analysis of surface influence on immobilized Candida antarctica Lipase B activity

    Science.gov (United States)

    Matrix morphology and surface polarity effects were investigated for Candida antarctica lipase B immobilization. Measurements of the amount of lipase immobilized (bicinchoninic acid method) and the catalyst’s tributyrin hydrolysis activity, coupled with a determination of the lipase’s functional fr...

  5. A Climatology of Surface Cloud Radiative Effects at the ARM Tropical Western Pacific Sites

    Energy Technology Data Exchange (ETDEWEB)

    McFarlane, Sally A.; Long, Charles N.; Flaherty, Julia E.

    2013-04-01

    Cloud radiative effects on surface downwelling fluxes are investigated using long-term datasets from the three Atmospheric Radiation Measurement (ARM) sites in the Tropical Western Pacific (TWP) region. The Nauru and Darwin sites show significant variability in sky cover, downwelling radiative fluxes, and surface cloud radiative effect (CRE) due to El Niño and the Australian monsoon, respectively, while the Manus site shows little intra-seasonal or interannual variability. Cloud radar measurement of cloud base and top heights are used to define cloud types so that the effect of cloud type on the surface CRE can be examined. Clouds with low bases contribute 71-75% of the surface shortwave (SW) CRE and 66-74% of the surface longwave (LW) CRE at the three TWP sites, while clouds with mid-level bases contribute 8-9% of the SW CRE and 12-14% of the LW CRE, and clouds with high bases contribute 16-19% of the SW CRE and 15-21% of the LW CRE.

  6. Simple quantification of surface carboxylic acids on chemically oxidized multi-walled carbon nanotubes

    Science.gov (United States)

    Gong, Hyejin; Kim, Seong-Taek; Lee, Jong Doo; Yim, Sanggyu

    2013-02-01

    The surface of multi-walled carbon nanotube (MWCNT) was chemically oxidized using nitric acid and sulfuric-nitric acid mixtures. Thermogravimetric analysis, transmission electron microscopy and infrared spectroscopy revealed that the use of acid mixtures led to higher degree of oxidation. More quantitative identification of surface carboxylic acids was carried out using X-ray photoelectron spectroscopy (XPS) and acid-base titration. However, these techniques are costly and require very long analysis times to promptly respond to the extent of the reaction. We propose a much simpler method using pH measurements and pre-determined pKa value in order to estimate the concentration of carboxylic acids on the oxidized MWCNT surfaces. The results from this technique were consistent with those obtained from XPS and titration, and it is expected that this simple quantification method can provide a cheap and fast way to monitor and control the oxidation reaction of MWCNT.

  7. AECL strategy for surface-based investigations of potential disposal sites and the development of a geosphere model for a site

    International Nuclear Information System (INIS)

    Whitaker, S.H.; Brown, A.; Davison, C.C.; Gascoyne, M.; Lodha, G.S.; Stevenson, D.R.; Thorne, G.A.; Tomsons, D.

    1994-05-01

    The objective of this report is to summarize AECL's strategy for surface-based geotechnical site investigations used in screening and evaluating candidate areas and candidate sites for a nuclear fuel waste repository and for the development of geosphere models of sites. The report is one of several prepared by national nuclear fuel waste management programs for the Swedish Nuclear Fuel and Waste Management Co. (SKB) to provide international background on site investigations for SKB's R and D programme on siting.The scope of the report is limited to surface-based investigations of the geosphere, those done at surface or in boreholes drilled from surface. The report discusses AECL's investigation strategy and the methods proposed for use in surface-based reconnaissance and detailed site investigations at potential repository sites. Site investigations done for AECL's Underground Research Laboratory are used to illustrate the approach. The report also discusses AECL's strategy for developing conceptual and mathematical models of geological conditions at sites and the use of these models in developing a model (Geosphere Model) for use in assessing the performance of the disposal system after a repository is closed. Models based on the site data obtained at the URL are used to illustrate the approach. Finally, the report summarizes the lessons learned from AECL's R and D program on site investigations and mentions some recent developments in the R and D program. 120 refs, 33 figs, 7 tabs

  8. AECL strategy for surface-based investigations of potential disposal sites and the development of a geosphere model for a site

    Energy Technology Data Exchange (ETDEWEB)

    Whitaker, S H; Brown, A; Davison, C C; Gascoyne, M; Lodha, G S; Stevenson, D R; Thorne, G A; Tomsons, D [AECL Research, Whiteshell Labs., Pinawa, MB (Canada)

    1994-05-01

    The objective of this report is to summarize AECL`s strategy for surface-based geotechnical site investigations used in screening and evaluating candidate areas and candidate sites for a nuclear fuel waste repository and for the development of geosphere models of sites. The report is one of several prepared by national nuclear fuel waste management programs for the Swedish Nuclear Fuel and Waste Management Co. (SKB) to provide international background on site investigations for SKB`s R and D programme on siting.The scope of the report is limited to surface-based investigations of the geosphere, those done at surface or in boreholes drilled from surface. The report discusses AECL`s investigation strategy and the methods proposed for use in surface-based reconnaissance and detailed site investigations at potential repository sites. Site investigations done for AECL`s Underground Research Laboratory are used to illustrate the approach. The report also discusses AECL`s strategy for developing conceptual and mathematical models of geological conditions at sites and the use of these models in developing a model (Geosphere Model) for use in assessing the performance of the disposal system after a repository is closed. Models based on the site data obtained at the URL are used to illustrate the approach. Finally, the report summarizes the lessons learned from AECL`s R and D program on site investigations and mentions some recent developments in the R and D program. 120 refs, 33 figs, 7 tabs.

  9. Screening Mixtures of Small Molecules for Binding to Multiple Sites on the Surface Tetanus Toxin C Fragment by Bioaffinity NMR

    International Nuclear Information System (INIS)

    Cosman, M; Zeller, L; Lightstone, F C; Krishnan, V V; Balhorn, R

    2002-01-01

    The clostridial neurotoxins include the closely related tetanus (TeNT) and botulinum (BoNT) toxins. Botulinum toxin is used to treat severe muscle disorders and as a cosmetic wrinkle reducer. Large quantities of botulinum toxin have also been produced by terrorists for use as a biological weapon. Because there are no known antidotes for these toxins, they thus pose a potential threat to human health whether by an accidental overdose or by a hostile deployment. Thus, the discovery of high specificity and affinity compounds that can inhibit their binding to neural cells can be used as antidotes or in the design of chemical detectors. Using the crystal structure of the C fragment of the tetanus toxin (TetC), which is the cell recognition and cell surface binding domain, and the computational program DOCK, sets of small molecules have been predicted to bind to two different sites located on the surface of this protein. While Site-1 is common to the TeNT and BoNTs, Site-2 is unique to TeNT. Pairs of these molecules from each site can then be linked together synthetically to thereby increase the specificity and affinity for this toxin. Electrospray ionization mass spectroscopy was used to experimentally screen each compound for binding. Mixtures containing binders were further screened for activity under biologically relevant conditions using nuclear magnetic resonance (NMR) methods. The screening of mixtures of compounds offers increased efficiency and throughput as compared to testing single compounds and can also evaluate how possible structural changes induced by the binding of one ligand can influence the binding of the second ligand. In addition, competitive binding experiments with mixtures containing ligands predicted to bind the same site could identify the best binder for that site. NMR transfer nuclear Overhauser effect (trNOE) confirm that TetC binds doxorubicin but that this molecule is displaced by N-acetylneuraminic acid (sialic acid) in a mixture that

  10. GABAA [gamma-aminobutyric acid] type binding sites on membranes of spermatozoa

    International Nuclear Information System (INIS)

    Erdoe, S.L.; Wekerle, L.

    1990-01-01

    The binding of [ 3 H] gamma-aminobutyric acid (GABA) to seminal membranes of swines and rams was examined. Specific, GABA binding was demonstrated in both species, which showed the features of GABA A type receptors. The affinity of binding was similar in both species, whereas the density of seminal GABA binding sites was 5 times higher in swine. Our findings suggest that GABA may have a direct effect on spermatozoa

  11. Improving surface functional properties of tofu whey-derived peptides by chemical modification with fatty acids.

    Science.gov (United States)

    Matemu, Athanasia Oswald; Katayama, Shigeru; Kayahara, Hisataka; Murasawa, Hisashi; Nakamura, Soichiro

    2012-04-01

    Effect of acylation with saturated fatty acids on surface functional properties of tofu whey-derived peptides was investigated. Tofu whey (TW) and soy proteins (7S, 11S, and acid-precipitated soy protein [APP]) were hydrolyzed by Protease M 'Amano' G, and resulting peptide mixtures were acylated with esterified fatty acids of different chain length (6C to 18C) to form a covalent linkage between the carboxyl group of fatty acid and the free amino groups of peptide. Acylation significantly (P properties of 7S, 11S, and APP peptides independent of fatty acid chain length. Acylation decreased water binding capacity although oil binding capacity of acylated tofu whey ultra filtered fraction (UFTW acids had shown significant higher surface hydrophobicity as in contrast with acylated UFTW acids can further affect functional properties of soy proteins. © 2012 Institute of Food Technologists®

  12. Description of surface systems. Preliminary site description. Forsmark area Version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Lindborg, Tobias [ed.

    2005-06-01

    Swedish Nuclear Fuel and Waste Management Co (SKB) started site investigations for a deep repository for spent nuclear fuel in 2002 at two different sites in Sweden, Forsmark and Oskarshamn. The investigations should provide necessary information for a license application aimed at starting underground exploration. For this reason, ecosystem data need to be interpreted and assessed into site descriptive models, which in turn are used for safety assessment studies and for environmental impact assessment. Descriptions of the surface system are also needed for further planning of the site investigations. This report describes the surface ecosystems of the Forsmark site (e.g. hydrology, Quaternary deposits, chemistry, vegetation, animals and the human land use). The ecosystem description is an integration of the site and its regional setting, covering the current state of the biosphere as well as the ongoing natural processes affecting the longterm development. Improving the descriptions is important during both the initial and the complete site investigation phase. Before starting of the initial phase in Forsmark, version 0 of the site descriptive model was developed. The results of the initial site investigation phase is compiled into a preliminary site description of Forsmark (version 1.2) in June 2005. This report provides the major input and background to the biosphere description, in the 1.2 version of the Forsmark site description. The basis for this interim version is quality-assured field data from the Forsmark sub area and regional area, available in the SKB SICADA, and GIS data bases as of July 31th 2004 as well as version 1.1 of the Site Descriptive Model. To achieve an ecosystem site description there is a need to develop discipline-specific models by interpreting and analysing primary data. The different discipline-specific models are then integrated into a system describing interactions and flows and stocks of matter between and within functional units in

  13. Description of surface systems. Preliminary site description. Forsmark area Version 1.2

    International Nuclear Information System (INIS)

    Lindborg, Tobias

    2005-06-01

    Swedish Nuclear Fuel and Waste Management Co (SKB) started site investigations for a deep repository for spent nuclear fuel in 2002 at two different sites in Sweden, Forsmark and Oskarshamn. The investigations should provide necessary information for a license application aimed at starting underground exploration. For this reason, ecosystem data need to be interpreted and assessed into site descriptive models, which in turn are used for safety assessment studies and for environmental impact assessment. Descriptions of the surface system are also needed for further planning of the site investigations. This report describes the surface ecosystems of the Forsmark site (e.g. hydrology, Quaternary deposits, chemistry, vegetation, animals and the human land use). The ecosystem description is an integration of the site and its regional setting, covering the current state of the biosphere as well as the ongoing natural processes affecting the longterm development. Improving the descriptions is important during both the initial and the complete site investigation phase. Before starting of the initial phase in Forsmark, version 0 of the site descriptive model was developed. The results of the initial site investigation phase is compiled into a preliminary site description of Forsmark (version 1.2) in June 2005. This report provides the major input and background to the biosphere description, in the 1.2 version of the Forsmark site description. The basis for this interim version is quality-assured field data from the Forsmark sub area and regional area, available in the SKB SICADA, and GIS data bases as of July 31th 2004 as well as version 1.1 of the Site Descriptive Model. To achieve an ecosystem site description there is a need to develop discipline-specific models by interpreting and analysing primary data. The different discipline-specific models are then integrated into a system describing interactions and flows and stocks of matter between and within functional units in

  14. Oxygen isotope evidence for sorption of molecular oxygen to pyrite surface sites and incorporation into sulfate in oxidation experiments

    International Nuclear Information System (INIS)

    Tichomirowa, Marion; Junghans, Manuela

    2009-01-01

    Experiments were conducted to investigate (i) the rate of O-isotope exchange between SO 4 and water molecules at low pH and surface temperatures typical for conditions of acid mine drainage (AMD) and (ii) the O- and S-isotope composition of sulfates produced by pyrite oxidation under closed and open conditions (limited and free access of atmospheric O 2 ) to identify the O source/s in sulfide oxidation (water or atmospheric molecular O 2 ) and to better understand the pyrite oxidation pathway. An O-isotope exchange between SO 4 and water was observed over a pH range of 0-2 only at 50 deg. C, whereas no exchange occurred at lower temperatures over a period of 8 a. The calculated half-time of the exchange rate for 50 deg. C (pH = 0 and 1) is in good agreement with former experimental data for higher and lower temperatures and excludes the possibility of isotope exchange for typical AMD conditions (T ≤ 25 deg. C, pH ≥ 3) for decades. Pyrite oxidation experiments revealed two dependencies of the O-isotope composition of dissolved sulfates: O-isotope values decreased with longer duration of experiments and increasing grain size of pyrite. Both changes are interpreted as evidence for chemisorption of molecular O 2 to pyrite surface sites. The sorption of molecular O 2 is important at initial oxidation stages and more abundant in finer grained pyrite fractions and leads to its incorporation in the produced SO 4 . The calculated bulk contribution of atmospheric O 2 in the dissolved SO 4 reached up to 50% during initial oxidation stages (first 5 days, pH 2, fine-grained pyrite fraction) and decreased to less than 20% after about 100 days. Based on the direct incorporation of molecular O 2 in the early-formed sulfates, chemisorption and electron transfer of molecular O 2 on S sites of the pyrite surface are proposed, in addition to chemisorption on Fe sites. After about 10 days, the O of all newly-formed sulfates originates only from water, indicating direct interaction

  15. Geochemical evolution of acidic ground water at a reclaimed surface coal mine in western Pennsylvania

    Science.gov (United States)

    Cravotta,, Charles A.

    1991-01-01

    Concentrations of dissolved sulfate and acidity in ground water increase downflow in mine spoil and underlying bedrock at a reclaimed surface coal mine in the bituminous field of western Pennsylvania. Elevated dissolved sulfate and negligible oxygen in ground water from bedrock about 100 feet below the water table suggest that pyritic sulfur is oxidized below the water table, in a system closed to oxygen. Geochemical models for the oxidation of pyrite (FeS2) and production of sulfate (SO42-) and acid (H+) are presented to explain the potential role of oxygen (O2) and ferric iron (Fe3+) as oxidants. Oxidation of pyrite by O2 and Fe3+ can occur under oxic conditions above the water table, whereas oxidation by Fe3+ also can occur under anoxic conditions below the water table. The hydrated ferric-sulfate minerals roemerite [Fe2+Fe43+(SO4)4·14H2O], copiapite [Fe2+Fe43+(SO4)6(OH)2·20H20], and coquimbite [Fe2(SO4)3·9H2O] were identified with FeS2 in coal samples, and form on the oxidizing surface of pyrite in an oxic system above the water table. These soluble ferric-sulfate 11 salts11 can dissolve with recharge waters or a rising water table releasing Fe3+, SO42-. and H+, which can be transported along closed-system ground-water flow paths to pyrite reaction sites where O2 may be absent. The Fe3+ transported to these sites can oxidize pyritic sulfur. The computer programs WATEQ4F and NEWBAL were used to compute chemical speciation and mass transfer, respectively, considering mineral dissolution and precipitation reactions plus mixing of waters from different upflow zones. Alternative mass-balance models indicate that (a) extremely large quantities of O2, over 100 times its aqueous solubility, can generate the observed concentrations of dissolved SO42- from FeS2, or (b) under anoxic conditions, Fe3+ from dissolved ferric-sulfate minerals can oxidize FeS2 along closed-system ground-water flow paths. In a system open to O2, such as in the unsaturated zone, the aqueous

  16. Remaining Sites Verification Package for the 120-B-1, 105-B Battery Acid Sump. Attachment to Waste Site Reclassification Form 2006-057

    International Nuclear Information System (INIS)

    Dittmer, L.M.

    2006-01-01

    The 120-B-1 waste site, located in the 100-BC-1 Operable Unit of the Hanford Site, consisted of a concrete battery acid sump that was used from 1944 to 1969 to neutralize the spent sulfuric acid from lead cell batteries of emergency power packs and the emergency lighting system. The battery acid sump was associated with the 105-B Reactor Building and was located adjacent to the building's northwest corner. The results of verification sampling demonstrated that residual contaminant concentrations do not preclude any future uses and allow for unrestricted use of shallow zone soils. The results also showed that residual contaminant concentrations are protective of groundwater and the Columbia River

  17. Distribution of 137Cs in the Surface Soil of Serpong Nuclear Site

    OpenAIRE

    Lubis, E

    2011-01-01

    The distribution of 137Cs in the surface soil layer of Serpong Nuclear Site (SNS) was investigated by field sampling. The Objectives of the investigation is finding the profile of 137Cs distribution in the surface soil and the Tf value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the 137Cs activity in surface soil of SNS is 0.80 ± 0,29 Bq/kg, much lower than in the Antarctic. The contribution value of 137Cs from the operatio...

  18. Surface sealing systems for dumps and old waste sites. Oberflaechenabdichtungssysteme fuer Deponien und Altlasten

    Energy Technology Data Exchange (ETDEWEB)

    Egloffstein, T [ed.; ICP Ingenieurgesellschaft Prof. Czurda und Partner mbH, Karlsruhe (Germany); Burkhardt, G [ed.; ICP Ingenieurgesellschaft Prof. Czurda und Partner mbH, Karlsruhe (Germany)

    1994-01-01

    The primary task of surface lining is to prevent rainwater from seeping into the wastes deposited below the surface. Its function is therefore to seal the surface. Above the sealing layer there is a drainage system; if large amount of gas are generated (domestic wastes) the gas is channeled through a gas drainage layer. The top layer of the system serves as recultivation horizon for plants. The functions of the liner are: - sealing against precipitating water; - channeling off gas or - seepage water; - plant site. (orig./EF)

  19. Selectivity of the surface binding site (SBS) on barley starch synthase I

    DEFF Research Database (Denmark)

    Wilkens, Casper; Cuesta-Seijo, Jose A.; Palcic, Monica

    2014-01-01

    Starch synthase I (SSI) from various sources has been shown to preferentially elongate branch chains of degree of polymerisation (DP) from 6–7 to produce chains of DP 8–12. In the recently determined crystal structure of barley starch synthase I (HvSSI) a so-called surface binding site (SBS) was ...

  20. A methodology for evaluating alternative sites for a near-surface radioactive waste repository

    International Nuclear Information System (INIS)

    Watson, S.R.; Brownlow, S.A.

    1986-02-01

    This report addresses the issue of constructing an evaluation procedure for a near-surface radioactive waste repository. It builds on earlier work of the authors, and describes a basis for a practicable methodology for assessing the relative merits of different sites. (author)

  1. Remedial action at the Acid/Pueblo Canyon site, Los Alamos, New Mexico. Final report

    International Nuclear Information System (INIS)

    1984-10-01

    The Acid/Pueblo Canyon site (TA-45) was designated in 1976 for remedial action under the Formerly Utilized Sites Remedial Action Program (FUSRAP). During the period 1943 to 1964 untreated and treated liquid wastes generated by nuclear weapons research activities at the Los Alamos Scientific Laboratory (LASL) were discharged into the two canyons. A survey of the site conducted by LASL in 1976 to 1977 identified two areas where radiological contamination exceeded criteria levels. The selected remedial action was based on extensive radiological characterization and comprehensive engineering assessments and comprised the excavation and disposal of 390 yd 3 of contaminated soil and rock. This document describes the background to the remedial action, the parties involved in administering and executing it, the chronology of the work, verification of the adequacy of the remedial action, and the cost incurred. 14 references, 5 figures, 5 tables

  2. Chemical characteristics of fulvic acids from Arctic surface waters: Microbial contributions and photochemical transformations

    Science.gov (United States)

    Cory, Rose M.; McKnight, Diane M.; Chin, Yu-Ping; Miller, Penney; Jaros, Chris L.

    2007-12-01

    Dissolved organic matter (DOM) originating from the extensive Arctic tundra is an important source of organic material to the Arctic Ocean. Chemical characteristics of whole water dissolved organic matter (DOM) and the fulvic acid fraction of DOM were studied from nine surface waters in the Arctic region of Alaska to gain insight into the extent of microbial and photochemical transformation of this DOM. All the fulvic acids had a strong terrestrial/higher plant signature, with uniformly depleted δ13C values of -28‰, and low fluorescence indices around 1.3. Several of the measured chemical characteristics of the Arctic fulvic acids were related to water residence time, a measure of environmental exposure to sunlight and microbial activity. For example, fulvic acids from Arctic streams had higher aromatic contents, higher specific absorbance values, lower nitrogen content, lower amino acid-like fluorescence and were more depleted in δ15N relative to fulvic acids isolated from lake and coastal surface waters. The differences in the nitrogen signature between the lake and coastal fulvic acids compared to the stream fulvic acids indicated that microbial contributions to the fulvic acid pool increased with increasing water residence time. The photo-lability of the fulvic acids was positively correlated with water residence time, suggesting that the fulvic acids isolated from source waters with larger water residence times (i.e., lakes and coastal waters) have experienced greater photochemical degradation than the stream fulvic acids. In addition, many of the initial differences in fulvic acid chemical characteristics across the gradient of water residence times were consistent with changes observed in fulvic acid photolysis experiments. Taken together, results from this study suggest that photochemical processes predominantly control the chemical character of fulvic acids in Arctic surface waters. Our findings show that hydrologic transport in addition to

  3. New developments for the site-specific attachment of protein to surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Camarero, J A

    2005-05-12

    Protein immobilization on surfaces is of great importance in numerous applications in biology and biophysics. The key for the success of all these applications relies on the immobilization technique employed to attach the protein to the corresponding surface. Protein immobilization can be based on covalent or noncovalent interaction of the molecule with the surface. Noncovalent interactions include hydrophobic interactions, hydrogen bonding, van der Waals forces, electrostatic forces, or physical adsorption. However, since these interactions are weak, the molecules can get denatured or dislodged, thus causing loss of signal. They also result in random attachment of the protein to the surface. Site-specific covalent attachment of proteins onto surfaces, on the other hand, leads to molecules being arranged in a definite, orderly fashion and uses spacers and linkers to help minimize steric hindrances between the protein surface. This work reviews in detail some of the methods most commonly used as well as the latest developments for the site-specific covalent attachment of protein to solid surfaces.

  4. Spectra investigation on surface characteristics of graphene oxide nanosheets treated with tartaric, malic and oxalic acids.

    Science.gov (United States)

    Teng, Xiyao; Yan, Manqing; Bi, Hong

    2014-01-24

    The surface characteristics of graphene oxide nanosheets (GO) treated respectively with tartaric acid, malic acid and oxalic acid, have been investigated by mainly using optical spectroscopic methods including Fourier transform infrared spectroscopy (FT-IR), Ultraviolet-visible (UV-Vis) absorption and Raman spectroscopy. Additionally, the electrochemical property of the products has also been studied. The data revealed that oxygen-containing groups such as OH, COOH and CO on the GO surface have been almost removed and thus reduced graphene oxide nanosheets (RGN) were obtained. Interestingly, the number of sp(2) domains of RGN increases as treated by tartaric acidacidacid whereas the steric hindrance (SH) decreases and the ionization constant (IC) differs among these three acids. Furthermore, the specific capacitances (Cs) of GO have been greatly promoted from 2.4 F g(-1) to 100.8, 112.4, and 147 F g(-1) after treated with tartaric, malic and oxalic acids, respectively. This finding agrees well with the spectra result of the tendency of surface conjugated degree alteration. We claim that the difference in both SH and IC among these acids is the main reason for the diverse surface characteristics as well as the improved Cs of the RGN. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. May 2011 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    International Nuclear Information System (INIS)

    2011-01-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 16-17, 2011, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location Johnson Artesian WL. Samples were analyzed by the U.S. Environmental Protection Agency (EPA) Radiation&Indoor Environments National Laboratory in Las Vegas, Nevada. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry, and for tritium using the conventional method. Tritium was not measured using the enrichment method because the EPA laboratory no longer offers that service. Results of this monitoring at the Rio Blanco site demonstrate that groundwater and surface water outside the boundaries have not been affected by project-related contaminants.

  6. Multifaceted adsorption of α-cyano-4-hydroxycinnamic acid on silver colloidal and island surfaces

    Science.gov (United States)

    Jung, Dawoon; Jeon, Kooknam; Yeo, Juhyun; Hussain, Shafqat; Pang, Yoonsoo

    2017-12-01

    The surface adsorption of organic nitrile compounds on the silver colloidal and island surfaces has been studied using surface-enhanced Raman scattering (SERS). α-Cyano-4-hydroxycinnamic acid (CHCA) with nitrile and carboxyl groups shows various surface adsorption on the silver surfaces. In acidic conditions, the surface adsorption of CHCA via the nitrile group with a more or less tilted geometry to the surface was found. When the solution pH increases, the carboxylate and nitrile groups of deprotonated CHCA participate in the surface adsorption, whereas the molecular plane of CHCA becomes more parallel to the surface. The ν(Ctbnd N) band in SERS of CHCA is the indicator of the surface adsorption geometry. The strongly red-shifted and broadened ν(Ctbnd N) band in SERS represents the surface adsorption via π-electrons of the Ctbnd N bond (side-on geometry; π-coordination). Nitriles adsorbed on the surface via the nonbonding electron pair of the nitrogen atom (end-on geometry; σ-coordination) often cause the blue-shifts and small band broadening in ν(Ctbnd N) in SERS. The surface adsorption geometry of organic nitriles based on many previous experimental results was further confirmed by the surface adsorption of CHCA on the silver island surfaces and dinitrile compounds on the silver colloidal surfaces.

  7. Inhibition of beta-amino acid transport by diamide does not involve the brush border membrane surface

    International Nuclear Information System (INIS)

    Chesney, R.W.; Gusowski, N.; Albright, P.

    1985-01-01

    Diamide (dicarboxylic acid bis-(N,N-dimethylamide) has been shown in previous studies to block the uptake of the beta-amino acid taurine at its high affinity transport site in rat renal cortex slices. Diamide may act by increasing the efflux of taurine from the slice. Studies performed in rat slices again indicate enhanced efflux over 8-12 minutes. The time course of reduced glutathione (GSH) depletion from renal cortex is similar, indicating a potential interaction between GSH depletion and inhibition of taurine accumulation. The effect of 9 mM diamide on the Na+ -dependent accumulation of taurine (10 and 250 microM) by brush border membrane vesicles was examined, and the taurine uptake value both initially and at equilibrium was the same in the presence and absence of diamide. Isolation of the brush border surface and subsequent transport studies of taurine are not influenced by diamide. Thus, diamide inhibition of taurine uptake does not involve physiochemical alteration of the membrane surface where active amino acid transport occurs, despite the thiol-oxidizing properties of this agent. Further, these studies suggest that diamide either acts at the basolateral surface, rather than the brush border surface of rat renal cortex or requires the presence of an intact tubule, capable of metabolism, prior to its inhibitory action

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

    Science.gov (United States)

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

    2015-12-01

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

  9. Evaluation of surface water treatment and discharge options for the Weldon Spring Site Remedial Action Project

    International Nuclear Information System (INIS)

    Goyette, M.L.; MacDonell, M.M.

    1992-01-01

    The US Department of Energy (DOE), under its Environmental Restoration and Waste Management Program, is responsible for conducting response actions at the Weldon Spring site in St. Charles County, Missouri. The site consists of two noncontiguous areas: (1) the chemical plant area, which includes four raffinate pits and two small ponds, and (2) a 3.6-ha (9-acre) quarry located about 6.4 km (4 mi) southwest of the chemical plant area. Both of these areas became chemically and radioactively contaminated as a result of processing and disposal activities that took place from the 1940s through 1960s. The Weldon Spring site, located about 48 km (30 mi) west of St. Louis, is listed on the National Priorities List of the US Environmental Protection Agency. Nitroaromatic explosives were processed by the Army at the chemical plant area during the 1940s, and radioactive materials were processed by DOE's predecessor agency (the Atomic Energy Commission) during the 1950s and 1960s. Overall remediation of the Weldon Spring site is being addressed through the Weldon Spring Site Remedial Action Project, and it consists of several components. One component is the management of radioactively and chemically contaminated surface water impoundments at the chemical plant area -- i.e., the four raffinate pits, Frog Pond, and Ash Pond which was addressed under a separate action and documented in an engineering evaluation/cost analysis report. This report discusses the evaluation of surface water treatment at the Weldon Spring site

  10. Preliminary Correlation Map of Geomorphic Surfaces in North-Central Frenchman Flat, Nevada Test Site

    International Nuclear Information System (INIS)

    Bechtel Nevada

    2005-01-01

    This correlation map (scale = 1:12,000) presents the results of a mapping initiative that was part of the comprehensive site characterization required to operate the Area 5 Radioactive Waste Management Site, a low-level radioactive waste disposal facility located in northern Frenchman Flat at the Nevada Test Site. Eight primary map units are recognized for Quaternary surfaces: remnants of six alluvial fan or terrace surfaces, one unit that includes colluvial aprons associated with hill slopes, and one unit for anthropogenically disturbed surfaces. This surficial geology map provides fundamental data on natural processes for reconstruction of the Quaternary history of northern Frenchman Flat, which in turn will aid in the understanding of the natural processes that act to develop the landscape, and the time-frames involved in landscape development. The mapping was conducted using color and color-infrared aerial photographs and field verification of map unit composition and boundaries. Criteria for defining the map unit composition of geomorphic surface units are based on relative geomorphic position, landform morphology, and degree of preservation of surface morphology. The bedrock units identified on this map were derived from previous published mapping efforts and are included for completeness

  11. Assessment of perfluorooctanoic acid and perfluorooctane sulfonate in surface water - Tamil Nadu, India.

    Science.gov (United States)

    Sunantha, Ganesan; Vasudevan, Namasivayam

    2016-08-15

    As an emerging class of environmentally persistent organic pollutants, perfluorinated compounds (PFCs), particularly perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS); have been universally found in the environment. Wastewater and untreated effluents are likely the major causes for the accumulation of PFCs in surface water. There are very few reports on the contamination of PFCs in the developing countries, particularly in India. This study reports the quantitative analysis of PFOA and PFOS in Noyyal, Cauvery, and also lakes in and around Chennai, using Ultra-Fast liquid chromatograph. The concentration of PFOA and PFOS ranged from 4 to 93ng/L and 3 to 29ng/L, respectively. The concentration of PFOS was below detectable limit in Cauvery River. A reliable concentration of PFOA was recorded at all sites of River Cauvery (5ng/L). The present study could be useful for the assessment of future monitoring programs of PFOA and PFOS in the surface water. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Lysophosphatidic acid-functionalised titanium as a superior surface for supporting human osteoblast (MG63 maturation

    Directory of Open Access Journals (Sweden)

    JP Mansell

    2012-05-01

    Full Text Available Covalent modifications of titanium with small molecules known to promote human osteoblast maturation are especially attractive in developing superior biomaterials. An important step in securing competent bone formation at implant sites is promoting the formation of mature osteoblasts, either from committed pre-osteoblasts or from their mesenchymal progenitors. To this end our research has focussed on identifying molecules that enhance human osteoblast formation and maturation and to develop ways of covalently attaching these molecules to implant surfaces so that they are more likely to withstand the rigors of the implantation process whilst still retaining their bioactivity. Herein we report the novel production of lipid-functionalised titanium using lysophosphatidic acid or a related compound, (3S 1-fluoro-3-hydroxy-4-butyl-1-phosphonate. Both lipids were especially effective at co-operating with calcitriol to promote human osteoblast maturation at these modified Ti surfaces in vitro. The novel findings presented offer enticing new developments towards the fabrication of next-generation implant devices with the potential to significantly enhance the osseointegration process and with it improvements in future prosthesis performance and longevity.

  13. Soil degradation by sulfuric acid disposition on uranium producing sites in south Bulgaria

    International Nuclear Information System (INIS)

    Atanasov, I.; Gribachev, P.

    1997-01-01

    This study assesses the damage of soils caused by spills of sulfuric acid solutions used for in situ leaching of uranium at eight uranium producing (by open-cast method) sites (total area of approximately 220 ha) in the region of Momino-Rakovski (South Bulgaria). The upper soil layer is cinnamonic pseudopodzolic ( or Eutric Planosols by FAO Legend, 1974). The results of the investigation show that the sulfuric acid spills caused strong acidification of upper (0-20 cm) and subsurface (20-60 cm) soil horizons which is expressed as decreasing of pH (H 2 O) to 2.9-3.5 and increasing of exchangeable H + and Al 3+ to 18 and 32% from CEC. Acid degradation of soils is combined with reducing of organic matter content. The average concentration of the total heavy metal content in the upper soil horizon (in ppm) is: Cd=1.5; Cu=30; Pb=25; Zn=40 and U=8. No significant differences were detected between the upper and subsurface soil layers . The heavy metal concentration did not exceed the Bulgarian standards for heavy metals and uranium content of soils. But the coarse texture of the top soil layers, the lack of carbonates, The low CEC and strong acidity determine a low buffering capacity of the investigated soils and this can be considered as hazardous for plants. This indicates that a future soil monitoring should be carried out in the region together with measures for neutralizing of soil acidity

  14. Pollution distribution of heavy metals in surface soil at an informal electronic-waste recycling site.

    Science.gov (United States)

    Fujimori, Takashi; Takigami, Hidetaka

    2014-02-01

    We studied distribution of heavy metals [lead (Pb), copper (Cu) and zinc (Zn)] in surface soil at an electronic-waste (e-waste) recycling workshop near Metro Manila in the Philippines to evaluate the pollution size (spot size, small area or the entire workshop), as well as to assess heavy metal transport into the surrounding soil environment. On-site length-of-stride-scale (~70 cm) measurements were performed at each surface soil point using field-portable X-ray fluorescence (FP-XRF). The surface soil at the e-waste recycling workshop was polluted with Cu, Zn and Pb, which were distributed discretely in surface soil. The site was divided into five areas based on the distance from an entrance gate (y-axis) of the e-waste recycling workshop. The three heavy metals showed similar concentration gradients in the y-axis direction. Zn, Pb and Cu concentrations were estimated to decrease to half of their maximum concentrations at ~3, 7 and 7 m from the pollution spot, respectively, inside the informal e-waste recycling workshop. Distance from an entrance may play an important role in heavy metal transport at the soil surface. Using on-site FP-XRF, we evaluated the metal ratio to characterise pollution features of the solid surface. Variability analysis of heavy metals revealed vanishing surficial autocorrelation over metre ranges. Also, the possibility of concentration prediction at unmeasured points using geostatistical kriging was evaluated, and heavy metals had a relative "small" pollution scales and remained inside the original workshop compared with toxic organohalogen compounds. Thus, exposure to heavy metals may directly influence the health of e-waste workers at the original site rather than the surrounding habitat and environmental media.

  15. Site Classification using Multichannel Channel Analysis of Surface Wave (MASW) method on Soft and Hard Ground

    Science.gov (United States)

    Ashraf, M. A. M.; Kumar, N. S.; Yusoh, R.; Hazreek, Z. A. M.; Aziman, M.

    2018-04-01

    Site classification utilizing average shear wave velocity (Vs(30) up to 30 meters depth is a typical parameter. Numerous geophysical methods have been proposed for estimation of shear wave velocity by utilizing assortment of testing configuration, processing method, and inversion algorithm. Multichannel Analysis of Surface Wave (MASW) method is been rehearsed by numerous specialist and professional to geotechnical engineering for local site characterization and classification. This study aims to determine the site classification on soft and hard ground using MASW method. The subsurface classification was made utilizing National Earthquake Hazards Reduction Program (NERHP) and international Building Code (IBC) classification. Two sites are chosen to acquire the shear wave velocity which is in the state of Pulau Pinang for soft soil and Perlis for hard rock. Results recommend that MASW technique can be utilized to spatially calculate the distribution of shear wave velocity (Vs(30)) in soil and rock to characterize areas.

  16. Biomimetic Deposition of Hydroxyapatite by Mixed Acid Treatment of Titanium Surfaces.

    Science.gov (United States)

    Zhao, J M; Park, W U; Hwang, K H; Lee, J K; Yoon, S Y

    2015-03-01

    A simple chemical method was established for inducing bioactivity of Ti metal. In the present study, two kinds of mixed acid solutions were used to treat Ti specimens to induce Ca-P formation. Following a strong mixed acid activation process, Ca-P coatings successfully formed on the Ti surfaces in the simulated body fluid. Strong mixed acid etching was used to increase the roughness of the metal surface, because the porous and rough surfaces allow better adhesion between Ca-P coatings and substrate. Nano-scale modification of titanium surfaces can alter cellular and tissue responses, which may benefit osseointegration and dental implant therapy. Some specimens were treated with a 5 M NaOH aqueous solution, and then heat treated at 600 °C in order to form an amorphous sodium titanate layer on their surface. This treated titanium metal is believed to form a dense and uniform bone-like apatite layer on its surface in a simulated body fluid (SBF). This study proved that mixed acid treatment is not only important for surface passivation but is also another bioactive treatment for titanium surfaces, an alternative to alkali treatment. In addition, mixed acid treatment uses a lower temperature and shorter time period than alkali treatment.

  17. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    International Nuclear Information System (INIS)

    Sych, N.V.; Trofymenko, S.I.; Poddubnaya, O.I.; Tsyba, M.M.; Sapsay, V.I.; Klymchuk, D.O.; Puziy, A.M.

    2012-01-01

    Highlights: ► Phosphoric acid activation results in formation of carbons with acidic surface groups. ► Maximum amount of surface groups is introduced at impregnation ratio 1.25. ► Phosphoric acid activated carbons show high capacity to copper. ► Phosphoric acid activated carbons are predominantly microporous. ► Maximum surface area and pore volume achieved at impregnation ratio 1.0. - Abstract: Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 °C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (S BET = 2081 m 2 /g, V tot = 1.1 cm 3 /g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0–2.6), weakly acidic carboxylic (pK = 4.7–5.0), enol/lactone (pK = 6.7–7.4; 8.8–9.4) and phenol (pK = 10.1–10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  18. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Energy Technology Data Exchange (ETDEWEB)

    Sych, N.V.; Trofymenko, S.I.; Poddubnaya, O.I.; Tsyba, M.M. [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine); Sapsay, V.I.; Klymchuk, D.O. [M.G. Kholodny Institute of Botany, National Academy of Sciences of Ukraine, 2 Tereshchenkivska St., 01601 Kyiv (Ukraine); Puziy, A.M., E-mail: alexander.puziy@ispe.kiev.ua [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Phosphoric acid activation results in formation of carbons with acidic surface groups. Black-Right-Pointing-Pointer Maximum amount of surface groups is introduced at impregnation ratio 1.25. Black-Right-Pointing-Pointer Phosphoric acid activated carbons show high capacity to copper. Black-Right-Pointing-Pointer Phosphoric acid activated carbons are predominantly microporous. Black-Right-Pointing-Pointer Maximum surface area and pore volume achieved at impregnation ratio 1.0. - Abstract: Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 Degree-Sign C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (S{sub BET} = 2081 m{sup 2}/g, V{sub tot} = 1.1 cm{sup 3}/g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0-2.6), weakly acidic carboxylic (pK = 4.7-5.0), enol/lactone (pK = 6.7-7.4; 8.8-9.4) and phenol (pK = 10.1-10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  19. Selection of a Site for a Near-Surface Disposal Facility: A Joint Report on Characterization of Sites

    International Nuclear Information System (INIS)

    Motiejunas, S.; Cernakauskas, P.

    2005-01-01

    Report describes general and safety-relevant environmental conditions of investigated sites and provides an overview of information concerning wastes to be disposed of. Safety relevant design aspects are given in the Project Report on Reference Design for a Near-Surface Disposal Facility for Low-and Intermediate-Level Short-Lived Radioactive Waste in Lithuania. This Report summarizes results of investigations performed during 2003-2005 by a number of researchers and evaluated by RATA. The work was performed by the Institute of Geology and Geography, the Lithuanian Energy Institute, Vilnius University, the Institute of Chemistry, UAB Grota, the Lithuanian Geological Survey, Swedish consultants from Geodevelopment, SKB and SKI-ICP, and generalized by RATA

  20. Library of Antifouling Surfaces Derived From Natural Amino Acids by Click Reaction.

    Science.gov (United States)

    Xu, Chen; Hu, Xin; Wang, Jie; Zhang, Ye-Min; Liu, Xiao-Jiu; Xie, Bin-Bin; Yao, Chen; Li, Yi; Li, Xin-Song

    2015-08-12

    Biofouling is of great concern in numerous applications ranging from ophthalmological implants to catheters, and from bioseparation to biosensors. In this report, a general and facile strategy to combat surface fouling is developed by grafting of amino acids onto polymer substrates to form zwitterionic structure through amino groups induced epoxy ring opening click reaction. First of all, a library of poly(2-hydroxyethyl methacrylate-co-glycidyl methacrylate) hydrogels with zwitterionic surfaces were prepared, resulting in the formation of pairs of carboxyl anions and protonated secondary amino cations. The analysis of attenuated total reflectance Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy confirmed the successful immobilization of amino acids on the hydrogel surfaces. After that, the contact angle and equilibrium water content of the modified hydrogels showed that the hydrogels exhibited improved hydrophilicity compared with the parent hydrogel. Furthermore, the protein deposition was evaluated by bicinchoninic acid assay using bovine serum albumin (BSA) and lysozyme as models. The results indicated that the performance of the hydrogels was determined by the nature of incorporated amino acid: the hydrogels incorporated with neutral amino acids had nonspecific antiadsorption capability to both BSA and lysozyme; the hydrogels incorporated with charged amino acids showed antiadsorption behaviors against protein with same charge and enhanced adsorption to the protein with opposite charge; the optimal antiadsorption performance was observed on the hydrogels incorporated with polar amino acids with a hydroxyl residual. The improvement of antiprotein fouling of the neutral amino acids grafted hydrogels can be ascribed to the formation of zwitterionic surfaces. Finally, a couple of soft contact lenses grafted with amino acids were fabricated having improved antifouling property and hydrophilicity. The result demonstrated the success of

  1. Comparison of the surface ion density of silica gel evaluated via spectral induced polarization versus acid-base titration

    Science.gov (United States)

    Hao, Na; Moysey, Stephen M. J.; Powell, Brian A.; Ntarlagiannis, Dimitrios

    2016-12-01

    Surface complexation models are widely used with batch adsorption experiments to characterize and predict surface geochemical processes in porous media. In contrast, the spectral induced polarization (SIP) method has recently been used to non-invasively monitor in situ subsurface chemical reactions in porous media, such as ion adsorption processes on mineral surfaces. Here we compare these tools for investigating surface site density changes during pH-dependent sodium adsorption on a silica gel. Continuous SIP measurements were conducted using a lab scale column packed with silica gel. A constant inflow of 0.05 M NaCl solution was introduced to the column while the influent pH was changed from 7.0 to 10.0 over the course of the experiment. The SIP measurements indicate that the pH change caused a 38.49 ± 0.30 μS cm- 1 increase in the imaginary conductivity of the silica gel. This increase is thought to result from deprotonation of silanol groups on the silica gel surface caused by the rise in pH, followed by sorption of Na+ cations. Fitting the SIP data using the mechanistic model of Leroy et al. (Leroyet al., 2008), which is based on the triple layer model of a mineral surface, we estimated an increase in the silica gel surface site density of 26.9 × 1016 sites m- 2. We independently used a potentiometric acid-base titration data for the silica gel to calibrate the triple layer model using the software FITEQL and observed a total increase in the surface site density for sodium sorption of 11.2 × 1016 sites m- 2, which is approximately 2.4 times smaller than the value estimated using the SIP model. By simulating the SIP response based on the calibrated surface complexation model, we found a moderate association between the measured and estimated imaginary conductivity (R2 = 0.65). These results suggest that the surface complexation model used here does not capture all mechanisms contributing to polarization of the silica gel captured by the SIP data.

  2. Surface modification of calcium-copper hydroxyapatites using polyaspartic acid

    Science.gov (United States)

    Othmani, Masseoud; Aissa, Abdallah; Bachoua, Hassen; Debbabi, Mongi

    2013-01-01

    Mixed calcium-copper hydroxyapatite (Ca-CuHAp), with general formula Ca(10-x)Cux(PO4)6(OH)2, where 0 ≤ x ≤ 0.75 was prepared in aqueous medium in the presence of different concentrations of poly-L-aspartic acid (PASP). XRD, IR, TG-DTA, TEM-EDX, AFM and chemical analyses were used to characterize the structure, morphology and composition of the products. All techniques show the formation of new hybrid compounds Ca-CuHAp-PASP. The presence of the grafting moiety on the apatitic material is more significant with increasing of copper amount and/or organic concentration in the starting solution. These increases lead to the affectation of apatite crystallinity. The IR spectroscopy shows the conservation of (Psbnd OH) band of (HPO4)2- groups, suggesting that PASP acid was interacted only with metallic cations of hydroxyapatite.

  3. BIOPHYSICAL PROPERTIES OF NUCLEIC ACIDS AT SURFACES RELEVANT TO MICROARRAY PERFORMANCE

    OpenAIRE

    Rao, Archana N.; Grainger, David W.

    2014-01-01

    Both clinical and analytical metrics produced by microarray-based assay technology have recognized problems in reproducibility, reliability and analytical sensitivity. These issues are often attributed to poor understanding and control of nucleic acid behaviors and properties at solid-liquid interfaces. Nucleic acid hybridization, central to DNA and RNA microarray formats, depends on the properties and behaviors of single strand (ss) nucleic acids (e.g., probe oligomeric DNA) bound to surface...

  4. BIOPHYSICAL PROPERTIES OF NUCLEIC ACIDS AT SURFACES RELEVANT TO MICROARRAY PERFORMANCE.

    Science.gov (United States)

    Rao, Archana N; Grainger, David W

    2014-04-01

    Both clinical and analytical metrics produced by microarray-based assay technology have recognized problems in reproducibility, reliability and analytical sensitivity. These issues are often attributed to poor understanding and control of nucleic acid behaviors and properties at solid-liquid interfaces. Nucleic acid hybridization, central to DNA and RNA microarray formats, depends on the properties and behaviors of single strand (ss) nucleic acids (e.g., probe oligomeric DNA) bound to surfaces. ssDNA's persistence length, radius of gyration, electrostatics, conformations on different surfaces and under various assay conditions, its chain flexibility and curvature, charging effects in ionic solutions, and fluorescent labeling all influence its physical chemistry and hybridization under assay conditions. Nucleic acid (e.g., both RNA and DNA) target interactions with immobilized ssDNA strands are highly impacted by these biophysical states. Furthermore, the kinetics, thermodynamics, and enthalpic and entropic contributions to DNA hybridization reflect global probe/target structures and interaction dynamics. Here we review several biophysical issues relevant to oligomeric nucleic acid molecular behaviors at surfaces and their influences on duplex formation that influence microarray assay performance. Correlation of biophysical aspects of single and double-stranded nucleic acids with their complexes in bulk solution is common. Such analysis at surfaces is not commonly reported, despite its importance to microarray assays. We seek to provide further insight into nucleic acid-surface challenges facing microarray diagnostic formats that have hindered their clinical adoption and compromise their research quality and value as genomics tools.

  5. BIOPHYSICAL PROPERTIES OF NUCLEIC ACIDS AT SURFACES RELEVANT TO MICROARRAY PERFORMANCE

    Science.gov (United States)

    Rao, Archana N.; Grainger, David W.

    2014-01-01

    Both clinical and analytical metrics produced by microarray-based assay technology have recognized problems in reproducibility, reliability and analytical sensitivity. These issues are often attributed to poor understanding and control of nucleic acid behaviors and properties at solid-liquid interfaces. Nucleic acid hybridization, central to DNA and RNA microarray formats, depends on the properties and behaviors of single strand (ss) nucleic acids (e.g., probe oligomeric DNA) bound to surfaces. ssDNA’s persistence length, radius of gyration, electrostatics, conformations on different surfaces and under various assay conditions, its chain flexibility and curvature, charging effects in ionic solutions, and fluorescent labeling all influence its physical chemistry and hybridization under assay conditions. Nucleic acid (e.g., both RNA and DNA) target interactions with immobilized ssDNA strands are highly impacted by these biophysical states. Furthermore, the kinetics, thermodynamics, and enthalpic and entropic contributions to DNA hybridization reflect global probe/target structures and interaction dynamics. Here we review several biophysical issues relevant to oligomeric nucleic acid molecular behaviors at surfaces and their influences on duplex formation that influence microarray assay performance. Correlation of biophysical aspects of single and double-stranded nucleic acids with their complexes in bulk solution is common. Such analysis at surfaces is not commonly reported, despite its importance to microarray assays. We seek to provide further insight into nucleic acid-surface challenges facing microarray diagnostic formats that have hindered their clinical adoption and compromise their research quality and value as genomics tools. PMID:24765522

  6. Aluminum-contaminant transport by surface runoff and bypass flow from an acid sulphate soil

    NARCIS (Netherlands)

    Minh, L.Q.; Tuong, T.P.; Mensvoort, van M.E.F.; Bouma, J.

    2002-01-01

    Quantifying the process and the amount of acid-contaminant released to the surroundings is important in assessing the environmental hazards associated with reclaiming acid sulphate soils (ASS). The roles of surface runoff and bypass flow (i.e. the rapid downward flow of free water along macropores

  7. Observations of Martian surface winds at the Viking Lander 1 site

    International Nuclear Information System (INIS)

    Murphy, J.R.; Leovy, C.B.; Tillman, J.E.

    1990-01-01

    Partial failure of the wind instrumentation on the Viking Lander 1 (VL1) in the Martian subtropics (22.5 degree N) has limited previous analyses of meteorological data for this site. The authors describe a method for reconstructing surface winds using data from the partially failed sensor and present and analyze a time series of wind, pressure, and temperature at the site covering 350 Mars days (sols). At the beginning of the mission during early summer, winds were controlled by regional topography, but they soon underwent a transition to a regime controlled by the Hadley circulation. Diurnal and semidiurnal wind oscillations and synoptic variations have been analyzed and compared with the corresponding variations at the Viking Lander 2 middle latitude site (48 degree N). Diurnal wind oscillations were controlled primarily by regional topography and boundary layer forcing, although a global mode may have been influencing them during two brief episodes. Semidiurnal wind oscillations were controlled by the westward propagating semidiurnal tide from sol 210 onward. Comparison of the synoptic variations at the two sites suggests that the same eastward propagating wave trains were present at both sites, at least following the first 1977 great dust storm, but discordant inferred zonal wave numbers and phase speeds at the two sites cast doubt on the zonal wave numbers deduced from analyses of combined wind and pressure data, particularly at the VL1 site where the signal to noise ratio of the dominant synoptic waves is relatively small

  8. CD44 Binding to Hyaluronic Acid Is Redox Regulated by a Labile Disulfide Bond in the Hyaluronic Acid Binding Site.

    Directory of Open Access Journals (Sweden)

    Helena Kellett-Clarke

    Full Text Available CD44 is the primary leukocyte cell surface receptor for hyaluronic acid (HA, a component of the extracellular matrix. Enzymatic post translational cleavage of labile disulfide bonds is a mechanism by which proteins are structurally regulated by imparting an allosteric change and altering activity. We have identified one such disulfide bond in CD44 formed by Cys77 and Cys97 that stabilises the HA binding groove. This bond is labile on the surface of leukocytes treated with chemical and enzymatic reducing agents. Analysis of CD44 crystal structures reveal the disulfide bond to be solvent accessible and in the-LH hook configuration characteristic of labile disulfide bonds. Kinetic trapping and binding experiments on CD44-Fc chimeric proteins show the bond is preferentially reduced over the other disulfide bonds in CD44 and reduction inhibits the CD44-HA interaction. Furthermore cells transfected with CD44 no longer adhere to HA coated surfaces after pre-treatment with reducing agents. The implications of CD44 redox regulation are discussed in the context of immune function, disease and therapeutic strategies.

  9. Pb, Cu, and Zn distributions at humic acid-coated metal-oxide surfaces

    Science.gov (United States)

    Wang, Yingge; Michel, F. Marc; Choi, Yongseong; Eng, Peter J.; Levard, Clement; Siebner, Hagar; Gu, Baohua; Bargar, John R.; Brown, Gordon E.

    2016-09-01

    Mineral surfaces are often coated by natural organic matter (NOM), which has a major influence on metal-ion sorption and sequestration because of the abundance of binding sites in such coatings and the changes they cause in local nanoscale environments. The effects of NOM coatings on mineral surfaces are, however, still poorly understood at the molecular level due to the complexity of these systems. In this study, we have applied long-period X-ray standing wave-fluorescence yield (LP-XSW-FY) spectroscopy to measure the partitioning of naturally present Cu(II) (0.0226%), Zn(II) (0.009%), and Pb(II) (∼0.0004%) between Elliott Soil Humic Acid (ESHA) coatings and three model single-crystal metal-oxide substrates: α-Al2O3 (0 0 0 1), α-Al2O3 (1 -1 0 2), and α-Fe2O3 (0 0 0 1). The competitive sorption effects among these metal ions for binding sites in the ESHA coatings and on the metal-oxide surfaces were investigated as a function of reaction time, calcium content, and solution pH. Pb(II) ions present in the ESHA coatings were found to redistribute to reactive α-Al2O3 (1 -1 0 2) and α-Fe2O3 (0 0 0 1) surfaces after 3 h of reaction (pH = 6.0, [Ca(II)] = 2 mM). Pb(II) partitioning onto these reactive metal-oxide surfaces increased with increasing reaction time (up to 7 d). In addition, the partitioning of Cu(II) and Zn(II) from the ESHA coating to the α-Fe2O3 (0 0 0 1) substrate increased slightly with reaction time (2.4% and 3.7% for Cu(II) and Zn(II), respectively, after 3 h and 6.4% and 7.7% for Cu(II) and Zn(II), respectively, after 72 h of reaction time). However, no changes in the partitioning of Cu(II) and Zn(II) onto the α-Al2O3 (1 -1 0 2) surface were observed with increasing reaction time, suggesting that these ions strongly complex with functional groups in the ESHA coatings. Similar results were obtained for Cu(II) and Zn(II) on the ESHA-coated α-Al2O3 (1 -1 0 2) surfaces in samples without the addition of calcium. However, the amounts of Pb

  10. Surface complexation modeling of uranyl adsorption on corrensite from the Waste Isolation Pilot Plant Site

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sang-Won; Leckie, J.O. [Stanford Univ., CA (United States); Siegel, M.D. [Sandia National Labs., Albuquerque, NM (United States)

    1995-09-01

    Corrensite is the dominant clay mineral in the Culebra Dolomite at the Waste Isolation Pilot Plant. The surface characteristics of corrensite, a mixed chlorite/smectite clay mineral, have been studied. Zeta potential measurements and titration experiments suggest that the corrensite surface contains a mixture of permanent charge sites on the basal plane and SiOH and AlOH sites with a net pH-dependent charge at the edge of the clay platelets. Triple-layer model parameters were determined by the double extrapolation technique for use in chemical speciation calculations of adsorption reactions using the computer program HYDRAQL. Batch adsorption studies showed that corrensite is an effective adsorbent for uranyl. The pH-dependent adsorption behavior indicates that adsorption occurs at the edge sites. Adsorption studies were also conducted in the presence of competing cations and complexing ligands. The cations did not affect uranyl adsorption in the range studied. This observation lends support to the hypothesis that uranyl adsorption occurs at the edge sites. Uranyl adsorption was significantly hindered by carbonate. It is proposed that the formation of carbonate uranyl complexes inhibits uranyl adsorption and that only the carbonate-free species adsorb to the corrensite surface. The presence of the organic complexing agents EDTA and oxine also inhibits uranyl sorption.

  11. Surface complexation modeling of uranyl adsorption on corrensite from the Waste Isolation Pilot Plant Site

    International Nuclear Information System (INIS)

    Park, Sang-Won; Leckie, J.O.; Siegel, M.D.

    1995-09-01

    Corrensite is the dominant clay mineral in the Culebra Dolomite at the Waste Isolation Pilot Plant. The surface characteristics of corrensite, a mixed chlorite/smectite clay mineral, have been studied. Zeta potential measurements and titration experiments suggest that the corrensite surface contains a mixture of permanent charge sites on the basal plane and SiOH and AlOH sites with a net pH-dependent charge at the edge of the clay platelets. Triple-layer model parameters were determined by the double extrapolation technique for use in chemical speciation calculations of adsorption reactions using the computer program HYDRAQL. Batch adsorption studies showed that corrensite is an effective adsorbent for uranyl. The pH-dependent adsorption behavior indicates that adsorption occurs at the edge sites. Adsorption studies were also conducted in the presence of competing cations and complexing ligands. The cations did not affect uranyl adsorption in the range studied. This observation lends support to the hypothesis that uranyl adsorption occurs at the edge sites. Uranyl adsorption was significantly hindered by carbonate. It is proposed that the formation of carbonate uranyl complexes inhibits uranyl adsorption and that only the carbonate-free species adsorb to the corrensite surface. The presence of the organic complexing agents EDTA and oxine also inhibits uranyl sorption

  12. Surface modification of polylactic acid films by atmospheric pressure plasma treatment

    Science.gov (United States)

    Kudryavtseva, V. L.; Zhuravlev, M. V.; Tverdokhlebov, S. I.

    2017-09-01

    A new approach for the modification of polylactic acid (PLA) materials using atmospheric pressure plasma (APP) is described. PLA films plasma exposure time was 20, 60, 120 s. The surface morphology and wettability of the obtained PLA films were investigated by atomic force microscopy (AFM) and the sitting drop method. The atmospheric pressure plasma increased the roughness and surface energy of PLA film. The wettability of PLA has been improved with the application of an atmospheric plasma surface treatment. It was shown that it is possible to obtain PLA films with various surface relief and tunable wettability. Additionally, we demonstrated that the use of cold atmospheric pressure plasma for surface activation allows for the immobilization of bioactive compounds like hyaluronic acid (HA) on the surface of obtained films. It was shown that composite PLA-HA films have an increased long-term hydrophilicity of the films surface.

  13. Density Functional Theory Study of Leaching Performance of Different Acids on Pyrochlore (100) Surface

    Science.gov (United States)

    Yang, Xiuli; Fang, Qing; Ouyang, Hui

    2018-06-01

    Pyrochlore leaching using hydrofluoric, sulfuric, and hydrochloric acids has been studied via experimental methods for years, but the interactions between niobium atoms on the pyrochlore surface and different acids have not been investigated. In this work, first-principles calculations based on density functional theory were used to elucidate the leaching performance of these three acids from the viewpoint of geometrical and electronic structures. The calculation results indicate that sulfate, chloride, and fluoride anions influence the geometric structure of pyrochlore (100) to different extents, decreasing in the order: sulfate, fluoride, chloride. Orbitals of O1 and O2 atoms of sulfate hybridized with those of surface niobium atom. Fluorine orbitals hybridized with those of surface niobium atoms. However, no obvious overlap exists between any orbitals of chlorine and surface niobium, revealing that chlorine does not interact chemically with surface niobium atoms.

  14. Site-specific estimates of water yield applied in regional acid sensitivity surveys across western Canada

    Directory of Open Access Journals (Sweden)

    Patrick D. SHAW

    2010-08-01

    Full Text Available Runoff or water yield is an important input to the Steady-State Water Chemistry (SSWC model for estimating critical loads of acidity. Herein, we present site-specific water yield estimates for a large number of lakes (779 across three provinces of western Canada (Manitoba, Saskatchewan, and British Columbia using an isotope mass balance (IMB approach. We explore the impact of applying site-specific hydrology as compared to use of regional runoff estimates derived from gridded datasets in assessing critical loads of acidity to these lakes. In general, the average water yield derived from IMB is similar to the long-term average runoff; however, IMB results suggest a much larger range in hydrological settings of the lakes, attributed to spatial heterogeneity in watershed characteristics and landcover. The comparison of critical loads estimates from the two methods suggests that use of average regional runoff data in the SSWC model may overestimate critical loads for the majority of lakes due to systematic skewness in the actual runoff distributions. Implications for use of site-specific hydrology in regional critical loads assessments across western Canada are discussed.

  15. Modelling of nuclide migration for support of the site selection for near surface repository in Lithuania

    International Nuclear Information System (INIS)

    Kilda, R.; Poskas, P.; Ragaisis, V.

    2006-01-01

    Construction of the near surface repository (NSR) for disposal of short-lived low-and intermediate-level waste (LILW) is planned in Lithuania. Reference design of the repository was prepared. Site selection process is going on. Environmental Impact Assessment (EIA) Program and Report were prepared and are under review by regulators. Releases of radionuclides to water pathway and potential human exposure after closure of the NSR have been assessed for support of the site selection for NSR installation. Two candidate sites were taken under consideration. The assessments have been performed following ISAM methodology recommended by IAEA for safety assessments of near surface disposal facilities. The conceptual design of NSR as well as peculiarities of geological and hydro-geological environment relevant to each candidate site is taken into account. The results of the analysis as part of EIA Report are presented in the paper. It is demonstrated that estimated impact of potential radionuclide migration for both candidate sites is below dose constrain established by regulations of Lithuania. (author)

  16. Geologic surface effects of underground nuclear testing, Yucca Flat, Nevada Test Site, Nevada; TOPICAL

    International Nuclear Information System (INIS)

    Grasso, D.N.

    2000-01-01

    This report presents a new Geographic Information System composite map of the geologic surface effects caused by underground nuclear testing in the Yucca Flat Physiographic Area of the Nevada Test Site, Nye County, Nevada. The Nevada Test Site (NTS) was established in 1951 as a continental location for testing nuclear devices (Allen and others, 1997, p.3). Originally known as the ''Nevada Proving Ground'', the NTS hosted a total of 928 nuclear detonations, of which 828 were conducted underground (U.S. Department of Energy, 1994). Three principal testing areas of the NTS were used: (1) Yucca Flat, (2) Pahute Mesa, and (3) Rainier Mesa including Aqueduct Mesa. Underground detonations at Yucca Flat and Pahute Mesa were typically emplaced in vertical drill holes, while others were tunnel emplacements. Of the three testing areas, Yucca Flat was the most extensively used, hosting 658 underground tests (747 detonations) located at 719 individual sites (Allen and others, 1997, p.3-4). Figure 1 shows the location of Yucca Flat and other testing areas of the NTS. Figure 2 shows the locations of underground nuclear detonation sites at Yucca Flat. Table 1 lists the number of underground nuclear detonations conducted, the number of borehole sites utilized, and the number of detonations mapped for surface effects at Yucca Flat by NTS Operational Area

  17. Mechanistic Effects of Water on the Fe-Catalyzed Hydrodeoxygenation of Phenol. The Role of Brønsted Acid Sites

    Energy Technology Data Exchange (ETDEWEB)

    Hensley, Alyssa J. R. [The; amp, Linda Voiland School of Chemical Engineering and Bioengineering, ∥Department of Physics; Institute for Integrated Catalysis and §Fundamental and; Wang, Yong [The; amp, Linda Voiland School of Chemical Engineering and Bioengineering, ∥Department of Physics; Institute for Integrated Catalysis and §Fundamental and; Mei, Donghai [The; amp, Linda Voiland School of Chemical Engineering and Bioengineering, ∥Department of Physics; Institute for Integrated Catalysis and §Fundamental and; McEwen, Jean-Sabin [The; amp, Linda Voiland School of Chemical Engineering and Bioengineering, ∥Department of Physics; Institute for Integrated Catalysis and §Fundamental and

    2018-01-30

    A mechanistic understanding of the roles of water is essential for developing highly active and selective catalysts for hydrodeoxygenation (HDO) reactions since water is ubiquitous in such reaction systems. Here, we present a study for phenol HDO on Fe catalysts using density functional theory which examines the effect of water on three elementary pathways for phenol HDO using an explicit solvation model. The presence of water is found to significantly decrease activation barriers required by hydrogenation reactions via two pathways. First, the proton transfer in the hydrogen bonding network of the liquid water phase is nearly barrierless, which significantly promotes the direct through space tautomerization of phenol. Second, due to the high degree of oxophilicity on Fe, liquid water molecules are found to be easily dissociated into surface hydroxyl groups that can act as Brønsted acid sites. These sites dramatically promote hydrogenation reactions on the Fe surface. As a result, the hydrogen assisted dehydroxylation becomes the dominant phenol HDO pathway. This work provides new fundamental insights into aqueous phase HDO of biomass-derived oxygenates over Fe-based catalysts; e.g., the activity of Fe-based catalysts can be optimized by tuning the surface coverage of Brønsted acid sites via surface doping.

  18. Synthesis of α-MoC1-x Nanoparticles with a Surface-Modified SBA-15 Hard Template: Determination of Structure-Function Relationships in Acetic Acid Deoxygenation.

    Science.gov (United States)

    Baddour, Frederick G; Nash, Connor P; Schaidle, Joshua A; Ruddy, Daniel A

    2016-07-25

    Surface modification of mesoporous SBA-15 silica generated a hydrophobic environment for a molybdenum diamine (Mo-diamine) precursor solution, enabling direct growth of isolated 1.9±0.4 nm α-MoC1-x nanoparticles (NPs) inside the pores of the support. The resulting NP catalysts are bifunctional, and compared to bulk α-MoC1-x and β-Mo2 C, the NPs exhibit a greater acid-site:H-site ratio and a fraction of stronger acid sites. The greater acid-site:H-site ratio results in higher decarbonylation (DCO) selectivity during acetic acid hydrodeoxygenation (HDO) reactions, and the stronger acid sites lead to higher activity and ketonization (KET) selectivity at high temperatures. The hard-templating synthetic method could be a versatile route toward carbide NPs of varying size, composition, and phase, on a range of mesoporous oxide supports. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. May 2013 Groundwater and Surface Water Sampling at the Rio Blanco, Colorado, Site (Data Validation Package)

    Energy Technology Data Exchange (ETDEWEB)

    Hutton, Rick [S.M. Stoller Corporation, Broomfield, CO (United States)

    2013-10-01

    Annual sampling was conducted at the Rio Blanco, Colorado, site for the Long-Term Hydrologic Monitoring Program May 14-16, 2013, to monitor groundwater and surface water for potential radionuclide contamination. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for the U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated). A duplicate sample was collected from location CER #1 Black Sulphur. Samples were analyzed for gamma-emitting radionuclides by high-resolution gamma spectrometry and for tritium using the conventional and enrichment methods.

  20. Analysis of Surface Binding Sites (SBS) within GH62, GH13, and GH77

    DEFF Research Database (Denmark)

    Wilkens, Casper; Cockburn, Darrell; Andersen, Susan

    2015-01-01

    Certain interactions between carbohydrate active enzymes and polysaccharides involve surface binding sites (SBS) situated on catalytic domains outside of the active site. We recently undertook to develop a toolbox for SBS identification and characterization. In affinity gel electrophoresis (AGE...... of the reported SBSs. In GH13 SBSs have been seen in 17 subfamilies including SBSs with highly diverse functions in the same enzyme. Circumstantial evidence is provided for an SBS in the GH77 MalQ from Escherichia coli, the bacterial orthologue of Arabidopsis DPE2 involved in starch metabolism. Furthermore...

  1. Redatuming of borehole-to-surface electromagnetic data at the Kevin Dome exploration site

    DEFF Research Database (Denmark)

    Cai, Hongzhu; Zhdanov, Michael

    2013-01-01

    The method of redatuming the controlled-source electromagnetic data was introduced in Zhdanov and Cai (2012). The approach is based on a Stratton-Chu type integral and the Lorentz lemma to relate observed EM data on the earth’s surface to EM data on some horizontal plane P located underground....... By applying this methodology, we are able to calculate the EM scattering field at some depth from the observed data on the earth’s surface. Once the EM field at some underground plane P is found, we can use these data for upward continuation and recomputing of the EM scattering data on the earth’s surface...... the physics of the EM field, which makes the redatuming more accurate than simple mathematical transformation. In this paper, we illustrate this method by redatuming of borehole-to-surface electromagnetic data at the Kevin Dome exploration site....

  2. Cirrus cloud mimic surfaces in the laboratory: organic acids, bases and NOx heterogeneous reactions

    Science.gov (United States)

    Sodeau, J.; Oriordan, B.

    2003-04-01

    CIRRUS CLOUD MIMIC SURFACES IN THE LABORATORY:ORGANIC ACIDS, BASES AND NOX HETEROGENEOUS REACTIONS. B. ORiordan, J. Sodeau Department of Chemistry and Environment Research Institute, University College Cork, Ireland j.sodeau@ucc.ie /Fax: +353-21-4902680 There are a variety of biogenic and anthropogenic sources for the simple carboxylic acids to be found in the troposphere giving rise to levels as high as 45 ppb in certain urban areas. In this regard it is of note that ants of genus Formica produce some 10Tg of formic acid each year; some ten times that produced by industry. The expected sinks are those generally associated with tropospheric chemistry: the major routes studied, to date, being wet and dry deposition. No studies have been carried out hitherto on the role of water-ice surfaces in the atmospheric chemistry of carboxylic acids and the purpose of this paper is to indicate their potential function in the heterogeneous release of atmospheric species such as HONO. The deposition of formic acid on a water-ice surface was studied using FT-RAIR spectroscopy over a range of temperatures between 100 and 165K. In all cases ionization to the formate (and oxonium) ions was observed. The results were confirmed by TPD (Temperature Programmed Desorption) measurements, which indicated that two distinct surface species adsorb to the ice. Potential reactions between the formic acid/formate ion surface and nitrogen dioxide were subsequently investigated by FT-RAIRS. Co-deposition experiments showed that N2O3 and the NO+ ion (associated with water) were formed as products. A mechanism is proposed to explain these results, which involves direct reaction between the organic acid and nitrogen dioxide. Similar experiments involving acetic acid also indicate ionization on a water-ice surface. The results are put into the context of atmospheric chemistry potentially occuring on cirrus cloud surfaces.

  3. Concentrations of nitrous acid, nitric acid, nitrite and nitrate in the gas and aerosol phase at a site in the emission zone during ESCOMPTE 2001 experiment

    Science.gov (United States)

    Acker, K.; Möller, D.; Auel, R.; Wieprecht, W.; Kalaß, D.

    2005-03-01

    Ground-based measurements were performed at the "Expérience sur Site pour COntraindre les Modèles de Pollution atmosphérique et de Transport d`Emissions" (ESCOMPTE) field site E3 (Realtor) about 30 km north of the urban environment of Marseille and east of the industrial centre Berre pond to investigate the formation of nitrous and nitric acid and to detect the distribution of reactive N-species between the gas and particle phase during photochemical pollution events. A wet denuder sampling for gases followed by a steam jet collection for aerosols was both coupled to anion chromatographic analysis. The analytical system provided data continuously with 30-min time resolution between June 13 and July 13, 2001. Indications for heterogeneous formation of nitrous acid during nighttime and daytime on ground and aerosol surfaces were found, the average HNO 2/NO 2 ratio was 6%. Highest concentrations were observed during two episodes of strong pollution accumulation when sea breeze transported industrial, traffic and urban pollution land-inwards. After nocturnal heterogeneous formation (about 0.1 ppb v h -1 were estimated corresponding to increasing HNO 2/NO 2 ratios) and accumulation processes up to 1.2 ppb v HNO 2 were observed. Their photolysis produces up to 5-9×10 6 OH cm -3 s -1 and will contribute significantly to initiation of the daily photochemistry in the lowest part of the troposphere. For the key tropospheric species, HNO 3 daily peaks up to 4 ppb v were detected.

  4. Possible site-specific reagent for the general amino acid transport system of Saccharomyces cerevisiae.

    Science.gov (United States)

    Larimore, F S; Roon, R J

    1978-02-07

    The general amino acid transport system of Saccharomyces cerevisiae functions in the uptake of neutral, basic, and acidic amino acids. The amino acid analogue N-delta-chloroacetyl-L-ornithine (NCAO) has been tested as potential site specific reagent for this system. L-Tryptophan, which is transported exclusively by the general transport system, was used as a substrate. In the presence of glucose as an energy source, NCAO inhibited tryptophan transport competitively (Ki = 80 micrometer) during short time intervals (1-2 min), but adding 100 micrometer NCAO to a yeast cell suspension resulted in a time-dependent activation of tryptophan transport during the first 15 min of treatment. Following the activation a time-dependent decay of tryptophan transport activity occurred. Approximately 80% inactivation of the system was observed after 90 min. When a yeast cell suspension was treated with NCAO in the absence of an energy source, an 80% inactivation of tryptophan transport occurred in 90 min. The inactivation was noncompetitive (Ki congruent to 60 micrometer) and could not be reversed by the removal of the NCAO. Addition of a five-fold excess of L-lysine during NCAO treatment or prevented inactivation of tryptophan transport. Under parallel conditions of incubation, other closely related transport systems were not inhibited by NCAO.

  5. Magnetic Vinylphenyl Boronic Acid Microparticles for Surface Catalytic Performance in Esterification of Propionic Acid with Methanol

    Directory of Open Access Journals (Sweden)

    Ali Kara

    2016-12-01

    Full Text Available Magnetic vinylphenyl boronic acid microparticles, poly(ethylene glycol dimethacrylate-vinylphenyl boronic acid [m-poly(EGDMA-VPBA], produced by suspension polymerization, was found to be efficient solid acid catalyst for the esterification of methanol and propionic acid. Characterization techniques such as FT-IR, Elemental analyses, ICP-AES, ESR, SEM and N2 sorption showed that both of Fe3O4 and H2SO4 are bonded to the polymer successfully. Esterification was studied for different molar percentages of H2SO4 at temperature range of 50-70 oC. The apparent activation energy was found to be 27.7 kj.mol-1 for 10% H2SO4 doped m-poly(EGDMA-VPBA. Combining of strong acid H2SO4 with m-poly(EGDMA-VPBA, leads to materials with different functional properties. In addition, H2SO4 species could be introduced into the structure as acid centers, therefore this micro-dimensional catalyst has potential candidate for applications in the catalytic esterifications such as propionic acid with methanol.

  6. Surface acidity and solid-state compatibility of excipients with an acid-sensitive API: case study of atorvastatin calcium.

    Science.gov (United States)

    Govindarajan, Ramprakash; Landis, Margaret; Hancock, Bruno; Gatlin, Larry A; Suryanarayanan, Raj; Shalaev, Evgenyi Y

    2015-04-01

    The objectives of this study were to measure the apparent surface acidity of common excipients and to correlate the acidity with the chemical stability of an acid-sensitive active pharmaceutical ingredient (API) in binary API-excipient powder mixtures. The acidity of 26 solid excipients was determined by two methods, (i) by measuring the pH of their suspensions or solutions and (ii) the pH equivalent (pHeq) measured via ionization of probe molecules deposited on the surface of the excipients. The chemical stability of an API, atorvastatin calcium (AC), in mixtures with the excipients was evaluated by monitoring the appearance of an acid-induced degradant, atorvastatin lactone, under accelerated storage conditions. The extent of lactone formation in AC-excipient mixtures was presented as a function of either solution/suspension pH or pHeq. No lactone formation was observed in mixtures with excipients having pHeq > 6, while the lactone levels were pronounced (> 0.6% after 6 weeks at 50°C/20% RH) with excipients exhibiting pHeq 6, 3-6, and < 3) were consistent with the reported solution pH-stability profile of AC. In contrast to the pHeq scale, lactone formation did not show any clear trend when plotted as a function of the suspension/solution pH. Two mechanisms to explain the discrepancy between the suspension/solution pH and the chemical stability data were discussed. Acidic excipients, which are expected to be incompatible with an acid-sensitive API, were identified based on pHeq measurements. The incompatibility prediction was confirmed in the chemical stability tests using AC as an example of an acid-sensitive API.

  7. Surface modification of montmorillonite on surface Acid-base characteristics of clay and thermal stability of epoxy/clay nanocomposites.

    Science.gov (United States)

    Park, Soo-Jin; Seo, Dong-Il; Lee, Jae-Rock

    2002-07-01

    In this work, the effect of surface treatments on smectitic clay was investigated in surface energetics and thermal behaviors of epoxy/clay nanocomposites. The pH values, X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FT-IR) were used to analyze the effect of cation exchange on clay surface and the exfoliation phenomenon of clay interlayer. The surface energetics of clay and thermal properties of epoxy/clay nanocomposites were investigated in contact angles and thermogravimetric analysis (TGA), respectively. From the experimental results, the surface modification of clay by dodecylammonium chloride led to the increases in both distance between silicate layers of about 8 A and surface acid values, as well as in the electron acceptor component (gamma(+)(s)) of surface free energy, resulting in improved interfacial adhesion between basic (or electron donor) epoxy resins and acidic (electron acceptor) clay interlayers. Also, the thermal stability of nanocomposites was highly superior to pure epoxy resin due to the presence of the well-dispersed clay nanolayer, which has a barrier property in a composite system.

  8. Optimization of methanol crystallization for highly efficient separation of palmitic acid from palm fatty acid mixture using response surface methodology

    Directory of Open Access Journals (Sweden)

    A. A.W. Japir

    2018-01-01

    Full Text Available The objective of the current study was to develop parameters for the separation of palmitic acid (PA from a crude palm oil saturated fatty acid (SFAs mixture by using the methanol crystallization method. The conditions of methanol crystallization were optimized by the response surface methodology (RSM with the D-optimal design. The procedure of developing the solvent crystallization method was based on various different parameters. The fatty acid composition was carried out using a gas chromatography flame ionization detector (GC-FID as fatty acid methyl esters. The highest percentage of SFAs was more than 96% with the percentage yield of 87.5% under the optimal conditions of fatty acids-to-methanol ratio of 1: 20 (w/v, the crystallization temperature of -15 °C, and the crystallization time of 24 hours, respectively. The composition of separated SFAs in the solid fraction contains 96.7% of palmitic acid (C16:0 as a dominant component and 3.3% of stearic acid (C18:0. The results showed that utilizing methanol as a crystallization solvent is recommended because of its high efficiency, low cost, stability, availability, comparative ease of recovery and its ability to form needle-like crystals which have good filtering and washing characteristics.

  9. Optimization of methanol crystallization for highly efficient separation of palmitic acid from palm fatty acid mixture using response surface methodology

    International Nuclear Information System (INIS)

    Japir, A.A.W.; Salimon, J.; Derawi, D.; Yahaya, B.H.; Jamil, M.S.M.; Yusop, M.R.

    2017-01-01

    The objective of the current study was to develop parameters for the separation of palmitic acid (PA) from a crude palm oil saturated fatty acid (SFAs) mixture by using the methanol crystallization method. The conditions of methanol crystallization were optimized by the response surface methodology (RSM) with the D-optimal design. The procedure of developing the solvent crystallization method was based on various different parameters. The fatty acid composition was carried out using a gas chromatography flame ionization detector (GC-FID) as fatty acid methyl esters. The highest percentage of SFAs was more than 96% with the percentage yield of 87.5% under the optimal conditions of fatty acids-to-methanol ratio of 1: 20 (w/v), the crystallization temperature of -15 °C, and the crystallization time of 24 hours, respectively. The composition of separated SFAs in the solid fraction contains 96.7% of palmitic acid (C16:0) as a dominant component and 3.3% of stearic acid (C18:0). The results showed that utilizing methanol as a crystallization solvent is recommended because of its high efficiency, low cost, stability, availability, comparative ease of recovery and its ability to form needle-like crystals which have good filtering and washing characteristics. [es

  10. LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation

    Directory of Open Access Journals (Sweden)

    Schroeder Michael

    2006-09-01

    Full Text Available Abstract Background Identifying pockets on protein surfaces is of great importance for many structure-based drug design applications and protein-ligand docking algorithms. Over the last ten years, many geometric methods for the prediction of ligand-binding sites have been developed. Results We present LIGSITEcsc, an extension and implementation of the LIGSITE algorithm. LIGSITEcsc is based on the notion of surface-solvent-surface events and the degree of conservation of the involved surface residues. We compare our algorithm to four other approaches, LIGSITE, CAST, PASS, and SURFNET, and evaluate all on a dataset of 48 unbound/bound structures and 210 bound-structures. LIGSITEcsc performs slightly better than the other tools and achieves a success rate of 71% and 75%, respectively. Conclusion The use of the Connolly surface leads to slight improvements, the prediction re-ranking by conservation to significant improvements of the binding site predictions. A web server for LIGSITEcsc and its source code is available at scoppi.biotec.tu-dresden.de/pocket.

  11. Novel ion-molecular surface reaction to result in CH3 adsorbates on (111) surface of chemical vapor deposition diamond from ethane and surface anionic sites

    International Nuclear Information System (INIS)

    Komatsu, Shojiro; Okada, Katsuyuki; Shimizu, Yoshiki; Moriyoshi, Yusuke

    2001-01-01

    The existence of CH 3 adsorbates on (111) surface of chemical vapor deposited diamond, which was observed by scanning tunneling microscopy, was explained by the following S N 2 (bimolecular, substitutional, and nucleophilic) type surface reaction; C(s) - +C 2 H 6 ->C(s)-CH 3 +CH 3 - , where C(s) denotes a surface carbon atom. The activation energy was estimated to be 36.78 kcal/mol and the reaction proved to be exothermic with the enthalpy change of -9.250 kcal/mol, according to ab initio molecular orbital calculations at MP2/3-21+G * //RHF/3-21G * level; this result is consistent with typical substrate temperatures, namely about 900 degree C, for chemical vapor deposition of diamond. Charge transfer from the highest occupied molecular orbital of the surface anionic site to the lowest unoccupied molecular orbital of ethane, that is antibonding at the CH 3 - CH 3 bond, has been clearly visualized. A characteristic configuration of an ethane molecule which is associated with an anionic vacant site C(s) - on hydrogenated (111) surface of diamond was also found. [copyright] 2001 American Institute of Physics

  12. Utilizing knowledge base of amino acids structural neighborhoods to predict protein-protein interaction sites.

    Science.gov (United States)

    Jelínek, Jan; Škoda, Petr; Hoksza, David

    2017-12-06

    Protein-protein interactions (PPI) play a key role in an investigation of various biochemical processes, and their identification is thus of great importance. Although computational prediction of which amino acids take part in a PPI has been an active field of research for some time, the quality of in-silico methods is still far from perfect. We have developed a novel prediction method called INSPiRE which benefits from a knowledge base built from data available in Protein Data Bank. All proteins involved in PPIs were converted into labeled graphs with nodes corresponding to amino acids and edges to pairs of neighboring amino acids. A structural neighborhood of each node was then encoded into a bit string and stored in the knowledge base. When predicting PPIs, INSPiRE labels amino acids of unknown proteins as interface or non-interface based on how often their structural neighborhood appears as interface or non-interface in the knowledge base. We evaluated INSPiRE's behavior with respect to different types and sizes of the structural neighborhood. Furthermore, we examined the suitability of several different features for labeling the nodes. Our evaluations showed that INSPiRE clearly outperforms existing methods with respect to Matthews correlation coefficient. In this paper we introduce a new knowledge-based method for identification of protein-protein interaction sites called INSPiRE. Its knowledge base utilizes structural patterns of known interaction sites in the Protein Data Bank which are then used for PPI prediction. Extensive experiments on several well-established datasets show that INSPiRE significantly surpasses existing PPI approaches.

  13. [Adsorption of heavy metals on the surface of birnessite relationship with its Mn average oxidation state and adsorption sites].

    Science.gov (United States)

    Wang, Yan; Tan, Wen-Feng; Feng, Xiong-Han; Qiu, Guo-Hong; Liu, Fan

    2011-10-01

    Adsorption characteristics of mineral surface for heavy metal ions are largely determined by the type and amount of surface adsorption sites. However, the effects of substructure variance in manganese oxide on the adsorption sites and adsorption characteristics remain unclear. Adsorption experiments and powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) were combined to examine the adsorption characteristics of Pb2+, Cu2+, Zn2+ and Cd2+ sequestration by birnessites with different Mn average oxidation state (AOS), and the Mn AOS dependent adsorption sites and adsorption characteristics. The results show that the maximum adsorption capacity of Pb2+, Cu2+, Zn2+ and Cd2+ increased with increasing birnessite Mn AOS. The adsorption capacity followed the order of Pb2+ > Cu2+ > Zn2+ > Cd2+. The observations suggest that there exist two sites on the surface of birnessite, i. e., high-binding-energy site (HBE site) and low-binding-energy site (LBE site). With the increase of Mn AOS for birnessites, the amount of HBE sites for heavy metal ions adsorption remarkably increased. On the other hand, variation in the amount of LBE sites was insignificant. The amount of LBE sites is much more than those of HBE sites on the surface of birnessite with low Mn AOS. Nevertheless, both amounts on the surface of birnessite with high Mn AOS are very close to each other. Therefore, the heavy metal ions adsorption capacity on birnessite is largely determined by the amount of HBE sites. On birnessite surface, adsorption of Cu2+, Zn2+, and Cd2+ mostly occurred at HBE sites. In comparison with Zn2+ and Cd2+, more Cu2+ adsorbed on the LBW sites. Pb2+ adsorption maybe occupy at both LBE sites and HBE sites simultaneously.

  14. Surface collisions of formic acid cations HCOOH+ and DCOOD+ with a hydrocarbon-covered stainless steel surface

    Science.gov (United States)

    Tepnual, Thawatchai; Feketeová, Linda; Grill, Verena; Scheier, Paul; Herman, Zdenek; Märk, Tilmann D.

    2005-07-01

    Interaction of the formic acid cation HCOOH+ with a stainless steel surface covered with hydrocarbons has been studied as a function of the collision energy from a few eV up to 40 eV. Mass spectra of the product ions showed ions produced by surface-induced dissociation of the projectile and formation of HCO2H2+ in interaction with the surface material. The fragmentation of the projectile led to product ions HCOO+ and CHO+. The product ion HCO2H2+ fragmented to give only CHO+, indicating that its structure was HC(OH)2+ as suggested earlier by others. The results were confirmed by studies using the deuterated formic acid cation DCOOD+.

  15. Direct monophasic replacement of fatty acid by DMSA on SPION surface

    Energy Technology Data Exchange (ETDEWEB)

    Gogoi, M. [Department of Physics, Tezpur University (Central University), Tezpur 784028 (India); Deb, P., E-mail: pdeb@tezu.ernet.in [Department of Physics, Tezpur University (Central University), Tezpur 784028 (India); Interface Chemistry and Surface Engineering, Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Strasse 1, 40237 Duesseldorf (Germany); Vasan, G.; Keil, P.; Kostka, A.; Erbe, A. [Interface Chemistry and Surface Engineering, Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Strasse 1, 40237 Duesseldorf (Germany)

    2012-10-01

    Highlights: Black-Right-Pointing-Pointer Monophasic replacement of fatty acid coating. Black-Right-Pointing-Pointer Ultrastable dispersion of hydrophilic SPION in a wide pH range. Black-Right-Pointing-Pointer Unaltered microstructure and property on surface modification. - Abstract: Tailoring the surface and understanding the surface characteristics is necessary for biomedical applications of superparamagnetic nanoparticles. In this paper, superparamagnetic iron oxide nanoparticles (SPIONs) were prepared by thermal decomposition of iron nitrate in presence of stearic acid as surfactant. Due to the multilayer organization of surfactant molecules over the nanoparticle surface, the surface potential can be tuned by pH changes and hence the nanoparticles can be made dispersible in nonpolar as well as in polar solvents. We have presented a simple, facile procedure for controlled replacement of stearic acid from maghemite surface and subsequent derivatization by biocompatible dimercaptosuccinic acid (DMSA) to obtain ultrastable hydrophilic nanoparticles with unaltered morphology, phase and properties. The surface chemistry of the functionalized SPIONs was analyzed by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and X-ray photoelectron spectroscopy (XPS) revealing the presence of bound and unbound thiol groups and disulfides, leading to its prolonged stability in aqueous medium. The consequence of spatially selective functionalization on the stability and solubility of surface hydrophilic SPION has also been realized.

  16. Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Nørskov, Jens Kehlet

    2007-01-01

    A simple procedure is introduced to use periodic Density Functional Theory calculations to estimate trends in the thermodynamics of surface alloy dissolution in acidic media. With this approach, the dissolution potentials for solute metal atoms embedded in the surface layer of various host metals...

  17. Acrylic acid surface-modified contact lens for the culture of limbal stem cells.

    Science.gov (United States)

    Zhang, Hong; Brown, Karl David; Lowe, Sue Peng; Liu, Guei-Sheung; Steele, David; Abberton, Keren; Daniell, Mark

    2014-06-01

    Surface treatment to a biomaterial surface has been shown to modify and help cell growth. Our aim was to determine the best surface-modified system for the treatment of limbal stem cell deficiency (LSCD), which would facilitate expansion of autologous limbal epithelial cells, while maintaining cultivated epithelial cells in a less differentiated state. Commercially available contact lenses (CLs) were variously surface modified by plasma polymerization with ratios of acrylic acid to octadiene tested at 100% acrylic acid, 50:50% acrylic acid:octadiene, and 100% octadiene to produce high-, mid-, and no-acid. X-ray photoelectron spectroscopy was used to analyze the chemical composition of the plasma polymer deposited layer. Limbal explants cultured on high acid-modified CLs outgrew more cells. Immunofluorescence and RT2-PCR array results indicated that a higher acrylic acid content can also help maintain progenitor cells during ex vivo expansion of epithelial cells. This study provides the first evidence for the ability of high acid-modified CLs to preserve the stemness and to be used as substrates for the culture of limbal cells in the treatment of LSCD.

  18. Engineered surface barriers for waste disposal sites: lysimeter facility design and construction

    International Nuclear Information System (INIS)

    Phillips, S.J.; Ruben, M.S.; Kirkham, R.R.

    1988-01-01

    A facility to evaluate performance of engineered surface carriers for confinement of buried wastes has been designed, constructed, and operations initiated. The Field Lysimeter Test Facility is located at the US Department of Energy's Hanford Site in Richland, Washington. The facility consists of 18 one-dimensional drainage and weighing lysimeters used to evaluate 7 replicated barrier treatments. Distinct layers of natural earth materials were used to construct layered soil and rock barriers in each lysimeter. These barrier designs are capable in principal of significantly reducing or precluding infiltration of meteoric water through barriers into underlying contaminated zones. This paper summarizes salient facility design and construction features used in testing of the Hanford Site's engineered surface barriers

  19. Goethite surface reactivity: III. Unifying arsenate adsorption behavior through a variable crystal face - Site density model

    Science.gov (United States)

    Salazar-Camacho, Carlos; Villalobos, Mario

    2010-04-01

    We developed a model that describes quantitatively the arsenate adsorption behavior for any goethite preparation as a function of pH and ionic strength, by using one basic surface arsenate stoichiometry, with two affinity constants. The model combines a face distribution-crystallographic site density model for goethite with tenets of the Triple Layer and CD-MUSIC surface complexation models, and is self-consistent with its adsorption behavior towards protons, electrolytes, and other ions investigated previously. Five different systems of published arsenate adsorption data were used to calibrate the model spanning a wide range of chemical conditions, which included adsorption isotherms at different pH values, and adsorption pH-edges at different As(V) loadings, both at different ionic strengths and background electrolytes. Four additional goethite-arsenate systems reported with limited characterization and adsorption data were accurately described by the model developed. The adsorption reaction proposed is: lbond2 FeOH +lbond2 SOH +AsO43-+H→lbond2 FeOAsO3[2-]…SOH+HO where lbond2 SOH is an adjacent surface site to lbond2 FeOH; with log K = 21.6 ± 0.7 when lbond2 SOH is another lbond2 FeOH, and log K = 18.75 ± 0.9, when lbond2 SOH is lbond2 Fe 2OH. An additional small contribution of a protonated complex was required to describe data at low pH and very high arsenate loadings. The model considered goethites above 80 m 2/g as ideally composed of 70% face (1 0 1) and 30% face (0 0 1), resulting in a site density for lbond2 FeOH and for lbond2 Fe 3OH of 3.125/nm 2 each. Below 80 m 2/g surface capacity increases progressively with decreasing area, which was modeled by considering a progressively increasing proportion of faces (0 1 0)/(1 0 1), because face (0 1 0) shows a much higher site density of lbond2 FeOH groups. Computation of the specific proportion of faces, and thus of the site densities for the three types of crystallographic surface groups present in

  20. The effect of the distance between acidic site and basic site immobilized on mesoporous solid on the activity in catalyzing aldol condensation

    Science.gov (United States)

    Yu, Xiaofang; Yu, Xiaobo; Wu, Shujie; Liu, Bo; Liu, Heng; Guan, Jingqi; Kan, Qiubin

    2011-02-01

    Acid-base bifunctional heterogeneous catalysts containing carboxylic and amine groups, which were immobilized at defined distance from one another on the mesoporous solid were synthesized by immobilizing lysine onto carboxyl-SBA-15. The obtained materials were characterized by X-ray diffraction (XRD), N 2 adsorption, Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), scanning electron micrographs (SEM), transmission electron micrographs (TEM), elemental analysis, and back titration. Proximal-C-A-SBA-15 with a proximal acid-base distance was more active than maximum-C-A-SBA-15 with a maximum acid-base distance in aldol condensation reaction between acetone and various aldehydes. It appears that the distance between acidic site and basic site immobilized on mesoporous solid should be an essential factor for catalysis optimization.

  1. Savannah River Site Tank Cleaning: Corrosion Rate For One Versus Eight Percent Oxalic Acid Solution

    International Nuclear Information System (INIS)

    Ketusky, E.; Subramanian, K.

    2011-01-01

    Until recently, the use of oxalic acid for chemically cleaning the Savannah River Site (SRS) radioactive waste tanks focused on using concentrated 4 and 8-wt% solutions. Recent testing and research on applicable dissolution mechanisms have concluded that under appropriate conditions, dilute solutions of oxalic acid (i.e., 1-wt%) may be more effective. Based on the need to maximize cleaning effectiveness, coupled with the need to minimize downstream impacts, SRS is now developing plans for using a 1-wt% oxalic acid solution. A technology gap associated with using a 1-wt% oxalic acid solution was a dearth of suitable corrosion data. Assuming oxalic acid's passivation of carbon steel was proportional to the free oxalate concentration, the general corrosion rate (CR) from a 1-wt% solution may not be bound by those from 8-wt%. Therefore, after developing the test strategy and plan, the corrosion testing was performed. Starting with the envisioned process specific baseline solvent, a 1-wt% oxalic acid solution, with sludge (limited to Purex type sludge-simulant for this initial effort) at 75 C and agitated, the corrosion rate (CR) was determined from the measured weight loss of the exposed coupon. Environmental variations tested were: (a) Inclusion of sludge in the test vessel or assuming a pure oxalic acid solution; (b) acid solution temperature maintained at 75 or 45 C; and (c) agitation of the acid solution or stagnant. Application of select electrochemical testing (EC) explored the impact of each variation on the passivation mechanisms and confirmed the CR. The 1-wt% results were then compared to those from the 8-wt%. The immersion coupons showed that the maximum time averaged CR for a 1-wt% solution with sludge was less than 25-mils/yr for all conditions. For an agitated 8-wt% solution with sludge, the maximum time averaged CR was about 30-mils/yr at 50 C, and 86-mils/yr at 75 C. Both the 1-wt% and the 8-wt% testing demonstrated that if the sludge was removed from

  2. Locations of the three primary binding sites for long-chain fatty acids on bovine serum albumin

    International Nuclear Information System (INIS)

    Hamilton, J.A.; Era, S.; Bhamidipati, S.P.; Reed, R.G.

    1991-01-01

    Binding of 13 C-enriched oleic acid to bovine serum albumin and to three large proteolytic fragments of albumin - two complementary fragments corresponding to the two halved of albumin and one fragment corresponding to the carboxyl-terminal domain - yielded unique patterns of NMR resonances (chemical shifts and relative intensities) that were used to identify the locations of binding of the first 5 mol of oleic acid to the multidomain albumin molecule. The first 3 mol of oleic acid added to intact albumin generated three distinct NMR resonances as a result of simultaneous binding of oleic acid to three heterogeneous sites (primary sites). This distribution suggests albumin to be a less symmetrical binding molecule than theoretical models predict. This work also demonstrates the power of NMR for the study of microenvironments of individual fatty acid binding sites in specific domain

  3. Radiation-induced reactions of amino acids adsorbed on solid surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Esquivel Kranksith, L.; Negron-Mendoza, A. [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, UNAM. Cd. Universitaria, A.P. 70-543, 04510 Mexico D.F. (Mexico); Mosqueira, F.G. [Direcion General de Divulgacion de la Ciencia, Universidad Nacional Autonoma de Mexico, Cd. Universitaria, AP. 70-487 Mexico D.F. (Mexico); Ramos-Bernal, Sergio, E-mail: ramos@nucleares.unam.m [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, UNAM. Cd. Universitaria, A.P. 70-543, 04510 Mexico D.F. (Mexico)

    2010-07-21

    The purpose of this work is to study the adsorption of compounds such as amino acids on clays and carbon nanotubes (CNTs) as a possible phase in the chemical evolution that may have occurred on the primitive Earth or in extraterrestrial environments. We further study the behavior of amino acids adsorbed on these solid surfaces at different conditions of pH and levels of irradiation, simulating a high-radiation field at early Earth conditions. The relevance of this work is to explain the possible contribution of solids (clays and CNTs) as promoters of polymerization and as shields for the adsorbed organic compounds against external sources of energy. To this end, tryptophan, aspartic acid, and glutamic acid were adsorbed on fixed amounts of solid surfaces and were irradiated by a {sup 60}Co source for different periods of time at fixed dose rates. After irradiation, the amino acids were extracted from the solid and analyzed with UV and IR spectroscopes and high-performance liquid chromatography. The most efficient surface for adsorption of amino acids was clay, followed by CNTs. Studies of the gamma irradiation of amino acids adsorbed on clay (in the solid phase) show a low yield of recovery of the amino acid.

  4. A new temperature and humidity dependent surface site density approach for deposition ice nucleation

    OpenAIRE

    I. Steinke; C. Hoose; O. Möhler; P. Connolly; T. Leisner

    2014-01-01

    Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol ...

  5. Identifying potential surface water sampling sites for emerging chemical pollutants in Gauteng Province, South Africa

    OpenAIRE

    Petersen, F; Dabrowski, JM; Forbes, PBC

    2017-01-01

    Emerging chemical pollutants (ECPs) are defined as new chemicals which do not have a regulatory status, but which may have an adverse effect on human health and the environment. The occurrence and concentrations of ECPs in South African water bodies are largely unknown, so monitoring is required in order to determine the potential threat that these ECPs may pose. Relevant surface water sampling sites in the Gauteng Province of South Africa were identified utilising a geographic information sy...

  6. InterProSurf: a web server for predicting interacting sites on protein surfaces

    Science.gov (United States)

    Negi, Surendra S.; Schein, Catherine H.; Oezguen, Numan; Power, Trevor D.; Braun, Werner

    2009-01-01

    Summary A new web server, InterProSurf, predicts interacting amino acid residues in proteins that are most likely to interact with other proteins, given the 3D structures of subunits of a protein complex. The prediction method is based on solvent accessible surface area of residues in the isolated subunits, a propensity scale for interface residues and a clustering algorithm to identify surface regions with residues of high interface propensities. Here we illustrate the application of InterProSurf to determine which areas of Bacillus anthracis toxins and measles virus hemagglutinin protein interact with their respective cell surface receptors. The computationally predicted regions overlap with those regions previously identified as interface regions by sequence analysis and mutagenesis experiments. PMID:17933856

  7. Biogenic and Synthetic Peptides with Oppositely Charged Amino Acids as Binding Sites for Mineralization.

    Science.gov (United States)

    Lemloh, Marie-Louise; Altintoprak, Klara; Wege, Christina; Weiss, Ingrid M; Rothenstein, Dirk

    2017-01-28

    Proteins regulate diverse biological processes by the specific interaction with, e.g., nucleic acids, proteins and inorganic molecules. The generation of inorganic hybrid materials, such as shell formation in mollusks, is a protein-controlled mineralization process. Moreover, inorganic-binding peptides are attractive for the bioinspired mineralization of non-natural inorganic functional materials for technical applications. However, it is still challenging to identify mineral-binding peptide motifs from biological systems as well as for technical systems. Here, three complementary approaches were combined to analyze protein motifs consisting of alternating positively and negatively charged amino acids: (i) the screening of natural biomineralization proteins; (ii) the selection of inorganic-binding peptides derived from phage display; and (iii) the mineralization of tobacco mosaic virus (TMV)-based templates. A respective peptide motif displayed on the TMV surface had a major impact on the SiO₂ mineralization. In addition, similar motifs were found in zinc oxide- and zirconia-binding peptides indicating a general binding feature. The comparative analysis presented here raises new questions regarding whether or not there is a common design principle based on acidic and basic amino acids for peptides interacting with minerals.

  8. Initial site characterisation of a dissolved hydrocarbon groundwater plume discharging to a surface water environment

    International Nuclear Information System (INIS)

    Westbrook, S.J.; Commonwealth Scientific and Industrial Research Organisation Land and Water, Wembley, WA; Davis, G.B.; Rayner, J.L.; Fisher, S.J.; Clement, T.P.

    2000-01-01

    Preliminary characterisation of a dissolved hydrocarbon groundwater plume flowing towards a tidally- and seasonally-forced estuarine system has been completed at a site in Perth, Western Australia. Installation and sampling of multiport boreholes enabled fine scale (0.5-m) vertical definition of hydrocarbon concentrations. Vertical electrical conductivity profiles from multiport and spear probe sampling into the river sediments indicated that two groundwater/river water interfaces or dispersion zones are present: (a) an upper dispersion zone between brackish river water and groundwater, and (b) a lower interface between groundwater and deeper saline water. On-line water level loggers show that near-shore groundwater levels are also strongly influence by tidal oscillation. Results from the initial site characterisation will be used to plan further investigations of contaminated groundwater/surface water interactions and the biodegradation processes occurring at the site

  9. Innovative technology for expedited site remediation of extensive surface and subsurface contamination

    International Nuclear Information System (INIS)

    Audibert, J.M.E.; Lew, L.R.

    1994-01-01

    Large scale surface and subsurface contamination resulted from numerous releases of feed stock, process streams, waste streams, and final product at a major chemical plant. Soil and groundwater was contaminated by numerous compounds including lead, tetraethyl lead, ethylene dibromide, ethylene dichloride, and toluene. The state administrative order dictated that the site be investigated fully, that remedial alternative be evaluated, and that the site be remediated within a year period. Because of the acute toxicity and extreme volatility of tetraethyl lead and other organic compounds present at the site and the short time frame ordered by the regulators, innovative approaches were needed to carry out the remediation while protecting plant workers, remediation workers, and the public

  10. Secondary ion mass spectrometry (SIMS) analysis of hypervelocity microparticle impact sites on LDEF surfaces

    Science.gov (United States)

    Simon, C. G.; Buonaquisti, A. J.; Batchelor, D. A.; Hunter, J. L.; Griffis, D. P.; Misra, V.; Ricks, D. R.; Wortman, J. J.; Brownlee, D. E.; Best, S. R.

    1995-01-01

    Two dimensional elemental ion maps have been recorded for hundreds of microparticle impact sites and contamination features on LDEF surfaces. Since the majority of the analyzed surfaces were metal-oxide-silicon (MOS) impact detectors from the Interplanetary Dust Experiment, a series of 'standard' and 'blank' analyses of these surfaces are included. Hypervelocity impacts of forsterite olivine microparticles on activated flight sensors served as standards while stylus and pulsed laser simulated 'impacts' served as analytical blanks. Results showed that despite serious contamination issues, impactor residues can be identified in greater than 1/3 of the impact sites. While aluminum oxide particles could not be detected on aluminum surfaces, they were detected on germanium surfaces from row 12. Remnants of manmade debris impactors consisting of paint chips and bits of metal were identified on surfaces from LDEF Rows 3 (west or trailing side), 6 (south), 9 (ram or leading side), 12 (north) and the space end. Higher than expected ratios of manmade microparticle impacts to total microparticle impacts were found on the space end and the trailing side. These results were consistent with time-tagged and time-segregated microparticle impact data from the IDE and other LDEF experiments. A myriad of contamination interferences were identified and their effects on impactor debris identification mitigated during the course of this study. These interferences include pre-, post and inflight deposited surface contaminants as well as indigenous heterogeneous material contaminants. Non-flight contaminations traced to human origins, including spittle and skin oils, contributed significant levels of alkali-rich carbonaceous interferences. A ubiquitous layer of in-flight deposited silicaceous contamination varied in thickness with location on LDEF, even on a micro scale. In-flight deposited (low velocity) contaminants include urine droplets and bits of metal film from eroded thermal

  11. Creating diversity by site-selective peptide modification: a customizable unit affords amino acids with high optical purity.

    Science.gov (United States)

    Romero-Estudillo, Ivan; Boto, Alicia

    2013-11-15

    The development of peptide libraries by site-selective modification of a few parent peptides would save valuable time and materials in discovery processes, but still is a difficult synthetic challenge. Herein natural hydroxyproline is introduced as a "convertible" unit for the production of a variety of optically pure amino acids, including expensive N-alkyl amino acids, and to achieve the mild, efficient, and site-selective modification of peptides.

  12. Surface-based test plan, Deaf Smith County, Texas Site: Draft

    International Nuclear Information System (INIS)

    1985-01-01

    The Surface-Based Test Plan (SBTP) is the plan which accounts for all surface-based site field work to be conducted at the Permian salt site selected for characterization. The SBTP relates data needs from program requirement documents and presents plans to satisfy the data needs. The SBTP excludes plans for construction of the Exploratory Shaft Facility (ESF) and plans for the in situ testing. The SBTP is a hierarchical plan stemming from the Technical Program Plan. The SBTP describes in detail the process by which surface-based study plans are defined, developed, and controlled. The plans hierarchy extends downward thru subordinate Site Study Plans (SSPs), which describe in detail elements of field work to be done, to detailed Procedures which document the exact methodologies to be employed in the conduct of field work. The plan is a QA level S document, although some of its elements are at lower QA levels. The plan is a controlled document, and any proposed amendments to the plan or subordinate documents can only be implemented through the specified change control procedure

  13. DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites.

    Science.gov (United States)

    Gowthaman, Ragul; Miller, Sven A; Rogers, Steven; Khowsathit, Jittasak; Lan, Lan; Bai, Nan; Johnson, David K; Liu, Chunjing; Xu, Liang; Anbanandam, Asokan; Aubé, Jeffrey; Roy, Anuradha; Karanicolas, John

    2016-05-12

    Protein-protein interactions represent an exciting and challenging target class for therapeutic intervention using small molecules. Protein interaction sites are often devoid of the deep surface pockets presented by "traditional" drug targets, and crystal structures reveal that inhibitors typically engage these sites using very shallow binding modes. As a consequence, modern virtual screening tools developed to identify inhibitors of traditional drug targets do not perform as well when they are instead deployed at protein interaction sites. To address the need for novel inhibitors of important protein interactions, here we introduce an alternate docking strategy specifically designed for this regime. Our method, termed DARC (Docking Approach using Ray-Casting), matches the topography of a surface pocket "observed" from within the protein to the topography "observed" when viewing a potential ligand from the same vantage point. We applied DARC to carry out a virtual screen against the protein interaction site of human antiapoptotic protein Mcl-1 and found that four of the top-scoring 21 compounds showed clear inhibition in a biochemical assay. The Ki values for these compounds ranged from 1.2 to 21 μM, and each had ligand efficiency comparable to promising small-molecule inhibitors of other protein-protein interactions. These hit compounds do not resemble the natural (protein) binding partner of Mcl-1, nor do they resemble any known inhibitors of Mcl-1. Our results thus demonstrate the utility of DARC for identifying novel inhibitors of protein-protein interactions.

  14. Characterization of Polymer Surfaces by the Use of Different Wetting Theories Regarding Acid-Base Properties

    Directory of Open Access Journals (Sweden)

    Eduard Kraus

    2017-01-01

    Full Text Available The existing wetting methods for the determination of acid-base properties on solid surfaces are discussed. Striving for a better understanding of the adhesive polymer interactions in adhesively joined polymers, the methods of Berger and van Oss-Chaudhury-Good were found as the most suitable methods for the investigation of wetting on solid polymer surfaces. Methods of nonlinear systems by Della Volpe and Siboni were adapted and evaluated on plastic surfaces. In the context of these investigations various data of the surface free energy as well as its components have been identified for a number of polymer surfaces by application of spatial equation solutions.

  15. Effect of particle surface area on ice active site densities retrieved from droplet freezing spectra

    Directory of Open Access Journals (Sweden)

    H. Beydoun

    2016-10-01

    Full Text Available Heterogeneous ice nucleation remains one of the outstanding problems in cloud physics and atmospheric science. Experimental challenges in properly simulating particle-induced freezing processes under atmospherically relevant conditions have largely contributed to the absence of a well-established parameterization of immersion freezing properties. Here, we formulate an ice active, surface-site-based stochastic model of heterogeneous freezing with the unique feature of invoking a continuum assumption on the ice nucleating activity (contact angle of an aerosol particle's surface that requires no assumptions about the size or number of active sites. The result is a particle-specific property g that defines a distribution of local ice nucleation rates. Upon integration, this yields a full freezing probability function for an ice nucleating particle. Current cold plate droplet freezing measurements provide a valuable and inexpensive resource for studying the freezing properties of many atmospheric aerosol systems. We apply our g framework to explain the observed dependence of the freezing temperature of droplets in a cold plate on the concentration of the particle species investigated. Normalizing to the total particle mass or surface area present to derive the commonly used ice nuclei active surface (INAS density (ns often cannot account for the effects of particle concentration, yet concentration is typically varied to span a wider measurable freezing temperature range. A method based on determining what is denoted an ice nucleating species' specific critical surface area is presented and explains the concentration dependence as a result of increasing the variability in ice nucleating active sites between droplets. By applying this method to experimental droplet freezing data from four different systems, we demonstrate its ability to interpret immersion freezing temperature spectra of droplets containing variable particle concentrations. It is shown

  16. Description of surface systems. Preliminary site description Simpevarp sub area - Version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Lindborg, Tobias [ed.

    2005-03-01

    Swedish Nuclear Fuel and Waste Management Co is currently conducting site characterisation in the Simpevarp area. The area is divided into two subareas, the Simpevarp and the Laxemar subarea. The two subareas are surrounded by a common regional model area, the Simpevarp area. This report describes both the regional area and the subareas. This report is an interim version (model version 1.2) of the description of the surface systems at the Simpevarp area, and should be seen as a background report to the site description of the Simpevarp area, version 1.2, SKB-R--05-08. The basis for this description is quality-assured field data available in the SKB SICADA and GIS databases, together with generic data from the literature. The Surface system, here defined as everything above the bedrock, comprises a number of separate disciplines (e.g. hydrology, geology, topography, oceanography and ecology). Each discipline has developed descriptions and models for a number of properties that together represent the site description. The current methodology for developing the surface system description and the integration to ecosystem models is documented in a methodology strategy report SKB-R--03-06. The procedures and guidelines given in that report were followed in this report. Compared with version 1.1 of the surface system description SKB-R--04-25, this report presents considerable additional features, especially in the ecosystem description (Chapter 4) and in the description of the surface hydrology (Section 3.4). A first attempt has also been made to connect the flow of matter (carbon) between the different ecosystems into an overall ecosystem model at a landscape level. A summarised version of this report is also presented in SKB-R--05-08 together with geological-, hydrogeological-, transport properties-, thermal properties-, rock mechanics- and hydrogeochemical descriptions.

  17. Description of surface systems. Preliminary site description Simpevarp sub area - Version 1.2

    International Nuclear Information System (INIS)

    Lindborg, Tobias

    2005-03-01

    Swedish Nuclear Fuel and Waste Management Co is currently conducting site characterisation in the Simpevarp area. The area is divided into two subareas, the Simpevarp and the Laxemar subarea. The two subareas are surrounded by a common regional model area, the Simpevarp area. This report describes both the regional area and the subareas. This report is an interim version (model version 1.2) of the description of the surface systems at the Simpevarp area, and should be seen as a background report to the site description of the Simpevarp area, version 1.2, SKB-R--05-08. The basis for this description is quality-assured field data available in the SKB SICADA and GIS databases, together with generic data from the literature. The Surface system, here defined as everything above the bedrock, comprises a number of separate disciplines (e.g. hydrology, geology, topography, oceanography and ecology). Each discipline has developed descriptions and models for a number of properties that together represent the site description. The current methodology for developing the surface system description and the integration to ecosystem models is documented in a methodology strategy report SKB-R--03-06. The procedures and guidelines given in that report were followed in this report. Compared with version 1.1 of the surface system description SKB-R--04-25, this report presents considerable additional features, especially in the ecosystem description (Chapter 4) and in the description of the surface hydrology (Section 3.4). A first attempt has also been made to connect the flow of matter (carbon) between the different ecosystems into an overall ecosystem model at a landscape level. A summarised version of this report is also presented in SKB-R--05-08 together with geological-, hydrogeological-, transport properties-, thermal properties-, rock mechanics- and hydrogeochemical descriptions

  18. Insights into the mechanism of acetic acid hydrogenation to ethanol on Cu(111) surface

    International Nuclear Information System (INIS)

    Zhang, Minhua; Yao, Rui; Jiang, Haoxi; Li, Guiming; Chen, Yifei

    2017-01-01

    Highlights: • The scission of C–OH bond of acetic acid is the rate-determined step in acetic acid hydrogenation to ethanol on Cu(111). • Acetic acid adsorption and reaction barrier of C–OH scission of acetic acid are factors related to acetic acid conversion. • Acetaldehyde adsorption and reaction barriers of O–H formation of C_2–oxygenates are factors related to ethanol selectivity. - Abstract: Density functional theory (DFT) calculations were employed to theoretically explain the reaction mechanism of acetic acid hydrogenation to ethanol on Cu catalyst. The activation barriers of key elementary steps and the adsorption configurations of key intermediates involved in acetic acid hydrogenation on Cu(111) surface were investigated. The results indicated that the direct dissociation of acetic acid to acetyl (CH_3COOH → CH_3CO + OH) is the rate-determined step. The activation barrier of acetic acid scission to acetyl and the adsorption energy of acetic acid are two descriptors which could determine the conversion of acetic acid. The descriptors might have effects on the ethanol selectivity including: the adsorption energy of acetaldehyde and the activation barriers for O−H bond formation of C_2-oxygenates (CH_3CO + H → CH_3COH, CH_3CHO + H → CH_3CHOH and CH_3CH_2O + H → CH_3CH_2OH). These proposed descriptors could be used as references to design new Cu-based catalysts that have excellent catalytic performance.

  19. Hatching success in salamanders and chorus frogs at two sites in Colorado, USA: Effects of acidic deposition and climate

    Science.gov (United States)

    Muths, E.; Campbell, D.H.; Corn, P.S.

    2003-01-01

    The snowpack in the vicinity of the Mount Zirkel Wilderness Area is among the most acidic in the western United States. We analyzed water chemistry and examined hatching success in tiger salamanders and chorus frogs at ponds there and at nearby Rabbit Ears Pass (Dumont) to determine whether acid deposition affects amphibians or their breeding habitats at these potentially sensitive locations. We found a wide range of acid neutralizing capacity among ponds within sites; the minimum pH recorded during the experiment was 5.4 at one of 12 ponds with all others at pH ??? 5.7. At Dumont, hatching success for chorus frogs was greater in ponds with low acid neutralizing capacity; however, lowest pHs were >5.8. At current levels of acid deposition, weather and pond characteristics are likely more important than acidity in influencing hatching success in amphibian larvae at these sites.

  20. Site-discrimination by molecular imposters at dissymmetric molecular crystal surfaces

    Science.gov (United States)

    Poloni, Laura N.

    The organization of atoms and molecules into crystalline forms is ubiquitous in nature and has been critical to the development of many technologies on which modern society relies. Classical crystal growth theory can describe atomic crystal growth, however, a description of molecular crystal growth is lacking. Molecular crystals are often characterized by anisotropic intermolecular interactions and dissymmetric crystal surfaces with anisotropic growth rates along different crystallographic directions. This thesis describes combination of experimental and computational techniques to relate crystal structure to surface structure and observed growth rates. Molecular imposters, also known as tailor-made impurities, can be used to control crystal growth for practical applications such as inhibition of pathological crystals, but can also be used to understand site specificity at crystal growth surfaces. The first part of this thesis builds on previous real-time in situ atomic force microscopy (AFM) observations of dislocation-actuated growth on the morphologically significant face of hexagonal L-cystine crystals, which aggregate in vivo to form kidney stones in patients suffering from cystinuria. The inhibitory effect of various L-cystine structural mimics (a.k.a. molecular imposters) was investigated through experimental and computational methods to identify the key structural factors responsible for molecular recognition between molecular imposters and L-cystine crystal surface sites. The investigation of L-cystine crystal growth in the presence of molecular imposters through a combination of kinetic analysis using in situ AFM, morphology analysis and birefringence measurements of bulk crystals, and molecular modeling of imposter binding to energetically inequivalent surface sites revealed that different molecular imposters inhibited crystal growth by a Cabrera-Vermilyea pinning mechanism and that imposters bind to a single binding site on the dissymmetric {1000} L

  1. Antimicrobial activity of transition metal acid MoO3 prevents microbial growth on material surfaces

    International Nuclear Information System (INIS)

    Zollfrank, Cordt; Gutbrod, Kai; Wechsler, Peter; Guggenbichler, Josef Peter

    2012-01-01

    Serious infectious complications of patients in healthcare settings are often transmitted by materials and devices colonised by microorganisms (nosocomial infections). Current strategies to generate material surfaces with an antimicrobial activity suffer from the consumption of the antimicrobial agent and emerging multidrug-resistant pathogens amongst others. Consequently, materials surfaces exhibiting a permanent antimicrobial activity without the risk of generating resistant microorganisms are desirable. This publication reports on the extraordinary efficient antimicrobial properties of transition metal acids such as molybdic acid (H 2 MoO 4 ), which is based on molybdenum trioxide (MoO 3 ). The modification of various materials (e.g. polymers, metals) with MoO 3 particles or sol–gel derived coatings showed that the modified materials surfaces were practically free of microorganisms six hours after contamination with infectious agents. The antimicrobial activity is based on the formation of an acidic surface deteriorating cell growth and proliferation. The application of transition metal acids as antimicrobial surface agents is an innovative approach to prevent the dissemination of microorganisms in healthcare units and public environments. Highlights: ► The presented modifications of materials surfaces with MoO 3 are non-cytotoxic and decrease biofilm growth and bacteria transmission. ► The material is insensitive towards emerging resistances of bacteria. ► Strong potential to reduce spreading of infectious agents on inanimate surfaces.

  2. Sand Dune Ridge Alignment Effects on Surface BRF over the Libya-4 CEOS Calibration Site

    Directory of Open Access Journals (Sweden)

    Yves M. Govaerts

    2015-02-01

    Full Text Available The Libya-4 desert area, located in the Great Sand Sea, is one of the most important bright desert CEOS pseudo-invariant calibration sites by its size and radiometric stability. This site is intensively used for radiometer drift monitoring, sensor intercalibration and as an absolute calibration reference based on simulated radiances traceable to the SI standard. The Libya-4 morphology is composed of oriented sand dunes shaped by dominant winds. The effects of sand dune spatial organization on the surface bidirectional reflectance factor is analyzed in this paper using Raytran, a 3D radiative transfer model. The topography is characterized with the 30 m resolution ASTER digital elevation model. Four different regions-of-interest sizes, ranging from 10 km up to 100 km, are analyzed. Results show that sand dunes generate more backscattering than forward scattering at the surface. The mean surface reflectance averaged over different viewing and illumination angles is pretty much independent of the size of the selected area, though the standard deviation differs. Sun azimuth position has an effect on the surface reflectance field, which is more pronounced for high Sun zenith angles. Such 3D azimuthal effects should be taken into account to decrease the simulated radiance uncertainty over Libya-4 below 3% for wavelengths larger than 600 nm.

  3. Mass transfer of CO2 to groundwaters from a near-surface waste disposal site

    International Nuclear Information System (INIS)

    Caron, F.; Wilkinson, S.R.; Manni, G.; Torok, J.

    1995-01-01

    Gaseous 14 CO 2 originating from buried low-level radioactive wastes (LLRW) in a near-surface disposal site can be released to the environment via two major paths: gas-phase diffusion through soils to the atmosphere, and dissolution in groundwater, followed by aqueous migration. Aqueous migration would give the highest dose to an individual, especially if C-14 was converted to an organic form and ingested. Gaseous diffusion would give a lower dose, largely because of atmospheric dispersion and dilution. The objective of this study was to develop the capability to estimate which of the two paths will likely be dominant for typical near-surface disposal facilities. The main missing parameter for making this estimate was a mass-transfer coefficient (K L ) of 14 CO 2 to groundwaters, which was determined experimentally using a large sand box. The K L thus determined was approximately 10 to 20 times smaller than for an open liquid surface. This suggests that there is a potential resistance to mass transfer, probably caused by the capillary fringe. The value obtained was incorporated into a simple model of CO 2 transport around a typical near-surface disposal site. The model suggests that CO 2 transport via both gaseous release and aqueous migration paths are of similar magnitude for a repository located ∼2 m above the water table. (author). 11 refs., 2 tabs., 2 figs

  4. Heterogeneous surface fluxes and their effects on the SGP CART site

    International Nuclear Information System (INIS)

    Doran, J.C.; Hu, Q.; Hubbe, J.M.; Liljegren, J.C.; Shaw, W.J.; Zhong, S.; Collatz, G.J.

    1995-03-01

    The treatment of subgrid-scale variations of surface properties and the resultant spatial variations of sensible and latent heat fluxes has received increasing attention in recent years. Mesoscale numerical simulations of highly idealized conditions, in which strong flux contrasts exist between adjacent surfaces, have shown that under some circumstances the secondary circulations induced by land-use differences can significantly affect the properties of the planetary boundary layer (PBL) and the region of the atmosphere above the PBL. At the Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site, the fluxes from different land-surface types are not expected to differ as dramatically as those found in idealized simulations. Although the corresponding effects on the atmosphere should thus be less dramatic, they are still potentially important. From an ARM perspective, in tests of single column models (SCMs) it would be useful to understand the effects of the lower boundary conditions on model performance. We describe here our initial efforts to characterize the variable surface fluxes over the CART site and to assess their effects on the PBL that are important for the performance of SCMs

  5. Geomorphic Surface Maps of Northern Frenchman Flat, Nevada Test Site, Southern Nevada

    International Nuclear Information System (INIS)

    Bechtel Nevada

    2005-01-01

    Large-scale (1:6000) surficial geology maps of northern Frenchman Flat were developed in 1995 as part of comprehensive site characterization required to operate a low-level radioactive waste disposal facility in that area. Seven surficial geology maps provide fundamental data on natural processes and are the platform needed to reconstruct the Quaternary history of northern Frenchman Flat. Reconstruction of the Quaternary history provides an understanding of the natural processes that act to develop the landscape, and the time-frames involved in landscape development. The mapping was conducted using color and color-infrared aerial photographs and field verification of map unit composition and boundaries. Criteria for defining the map unit composition of geomorphic surface units are based on relative geomorphic position, landform morphology, and degree of preservation of surface morphology. Seven geomorphic surfaces (Units 1 through 7) are recognized, spanning from the early Quaternary to present time

  6. A flexible metal-organic framework with a high density of sulfonic acid sites for proton conduction

    Science.gov (United States)

    Yang, Fan; Xu, Gang; Dou, Yibo; Wang, Bin; Zhang, Heng; Wu, Hui; Zhou, Wei; Li, Jian-Rong; Chen, Banglin

    2017-11-01

    The design of stable electrolyte materials with high proton conductivity for use in proton exchange membrane fuel cells remains a challenge. Most of the materials explored have good conductivity at high relative humidity (RH), but significantly decreased conductivity at reduced RH. Here we report a chemically stable and structurally flexible metal-organic framework (MOF), BUT-8(Cr)A, possessing a three-dimensional framework structure with one-dimensional channels, in which high-density sulfonic acid (-SO3H) sites arrange on channel surfaces for proton conduction. We propose that its flexible nature, together with its -SO3H sites, could allow BUT-8(Cr)A to self-adapt its framework under different humid environments to ensure smooth proton conduction pathways mediated by water molecules. Relative to other MOFs, BUT-8(Cr)A not only has a high proton conductivity of 1.27 × 10-1 S cm-1 at 100% RH and 80 °C but also maintains moderately high proton conductivity at a wide range of RH and temperature.

  7. Chemical modification of chitosan film via surface grafting of citric acid molecular to promote the biomineralization

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yang, E-mail: liuyang@cczu.edu.cn [Institute of Biomedical Engineering and Health Sciences, Changzhou University, Changzhou 213164 (China); Engineering Research Center of Nano-Geo Materials of Ministry of Education, China University of Geosciences, Wuhan 430074 (China); School of Materials Science and Engineering, South China University of Technology, Guangzhou 510641 (China); Shen, Xin; Zhou, Huan [Institute of Biomedical Engineering and Health Sciences, Changzhou University, Changzhou 213164 (China); Wang, Yingjun [School of Materials Science and Engineering, South China University of Technology, Guangzhou 510641 (China); Deng, Linhong, E-mail: dlh@cczu.edu.cn [Institute of Biomedical Engineering and Health Sciences, Changzhou University, Changzhou 213164 (China)

    2016-05-01

    Graphical abstract: - Highlights: • Chitosan film was modified by surface grafting of citric acid. • The modified film has good hydrophilicity and moisture-retaining capacity. • The citric acid grafting treatment significantly promote the biomineralization. • MC3T3-E1 osteoblasts research confirms the biocompatibility of the film. - Abstract: We develop a novel chitosan–citric acid film (abbreviated as CS–CA) suitable for biomedical applications in this study. In this CS–CA film, the citric acid, which is a harmless organic acid has been extensively investigated as a modifying agent on carbohydrate polymers, was cross-linked by 1-Ethyl-3-(3-dimethyl aminopropyl) carbodiimide (EDC) and N-hydroxysuccinimide (NHS) onto the surface of chitosan (CS) film. Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) confirms the graft copolymerization of the modified chitosan film (CS–CA). Surface wettability, moisturizing performance, the capacity of mineralization in vitro and biocompatibility of the films were characterized. After modification, this CS–CA film has good hydrophilicity. It is very evident that the citric acid grafting treatment significantly promotes the biomineralization of the chitosan based substrates. Cell experiments show that the MC3T3-E1 osteoblasts can adhere and proliferate well on the surface of CS–CA film. This CS–CA film, which can be prepared in large quantities and at low cost, should have potential application in bone tissue engineering.

  8. Modification of carbon fiber surfaces via grafting with Meldrum's acid

    International Nuclear Information System (INIS)

    Cuiqin, Fang; Jinxian, Wu; Julin, Wang; Tao, Zhang

    2015-01-01

    Graphical abstract: - Highlights: • The mechanism of Meldrum's acid modifying carbon fiber surfaces was investigated. • The existing carbonyl groups of carbon fibers were grafted with Meldrum's acid. • The relative content of carboxylic groups on carbon fiber surfaces was increased. • The surfaces of carbon fibers neither etched nor generated coating. • Tensile strength of carbon fibers was preserved after grafting reaction. - Abstract: The mechanism of Meldrum's acid modifying carbon fiber surfaces was investigated in this work. The existing carbonyl groups of carbon fibers were grafted with Meldrum's acid to create carboxylic functionalized surfaces. The surface functionalization effect was detected with X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), atomic force microscopy (AFM), and thermogravimetric analysis (TGA). The XPS results showed that the relative content of carboxylic groups on carbon fiber surfaces was increased from initial 1.41% to 7.84%, however, that of carbonyl groups was decreased from 23.11% to 13.28% after grafting reaction. The SEM, AFM and TGA results indicated that the surfaces of carbon fibers neither etched nor generated coating. The tensile strength of carbon fibers was preserved after grafting reaction according to single fiber tensile strength tests. The fibers were well combined with matrix and the maximal interlaminar shear strength (ILSS) of carbon fiber/epoxy resin composites was sharply increased approximately 74% after functionalization. The effects of acetic acid and sonication on the degree of the surface functionalization were also studied.

  9. Modification of carbon fiber surfaces via grafting with Meldrum's acid

    Energy Technology Data Exchange (ETDEWEB)

    Cuiqin, Fang; Jinxian, Wu [Beijing Key Laboratory of Electrochemical Process and Technology for Materials, Beijing University of Chemical Technology, Beijing 100029 (China); Julin, Wang, E-mail: wjl@mail.buct.edu.cn [Beijing Key Laboratory of Electrochemical Process and Technology for Materials, Beijing University of Chemical Technology, Beijing 100029 (China); Tao, Zhang [Beijing Institute of Ancient Architecture, Beijing 100050 (China)

    2015-11-30

    Graphical abstract: - Highlights: • The mechanism of Meldrum's acid modifying carbon fiber surfaces was investigated. • The existing carbonyl groups of carbon fibers were grafted with Meldrum's acid. • The relative content of carboxylic groups on carbon fiber surfaces was increased. • The surfaces of carbon fibers neither etched nor generated coating. • Tensile strength of carbon fibers was preserved after grafting reaction. - Abstract: The mechanism of Meldrum's acid modifying carbon fiber surfaces was investigated in this work. The existing carbonyl groups of carbon fibers were grafted with Meldrum's acid to create carboxylic functionalized surfaces. The surface functionalization effect was detected with X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), atomic force microscopy (AFM), and thermogravimetric analysis (TGA). The XPS results showed that the relative content of carboxylic groups on carbon fiber surfaces was increased from initial 1.41% to 7.84%, however, that of carbonyl groups was decreased from 23.11% to 13.28% after grafting reaction. The SEM, AFM and TGA results indicated that the surfaces of carbon fibers neither etched nor generated coating. The tensile strength of carbon fibers was preserved after grafting reaction according to single fiber tensile strength tests. The fibers were well combined with matrix and the maximal interlaminar shear strength (ILSS) of carbon fiber/epoxy resin composites was sharply increased approximately 74% after functionalization. The effects of acetic acid and sonication on the degree of the surface functionalization were also studied.

  10. Uncertainty analysis of the Operational Simplified Surface Energy Balance (SSEBop) model at multiple flux tower sites

    Science.gov (United States)

    Chen, Mingshi; Senay, Gabriel B.; Singh, Ramesh K.; Verdin, James P.

    2016-01-01

    Evapotranspiration (ET) is an important component of the water cycle – ET from the land surface returns approximately 60% of the global precipitation back to the atmosphere. ET also plays an important role in energy transport among the biosphere, atmosphere, and hydrosphere. Current regional to global and daily to annual ET estimation relies mainly on surface energy balance (SEB) ET models or statistical and empirical methods driven by remote sensing data and various climatological databases. These models have uncertainties due to inevitable input errors, poorly defined parameters, and inadequate model structures. The eddy covariance measurements on water, energy, and carbon fluxes at the AmeriFlux tower sites provide an opportunity to assess the ET modeling uncertainties. In this study, we focused on uncertainty analysis of the Operational Simplified Surface Energy Balance (SSEBop) model for ET estimation at multiple AmeriFlux tower sites with diverse land cover characteristics and climatic conditions. The 8-day composite 1-km MODerate resolution Imaging Spectroradiometer (MODIS) land surface temperature (LST) was used as input land surface temperature for the SSEBop algorithms. The other input data were taken from the AmeriFlux database. Results of statistical analysis indicated that the SSEBop model performed well in estimating ET with an R2 of 0.86 between estimated ET and eddy covariance measurements at 42 AmeriFlux tower sites during 2001–2007. It was encouraging to see that the best performance was observed for croplands, where R2 was 0.92 with a root mean square error of 13 mm/month. The uncertainties or random errors from input variables and parameters of the SSEBop model led to monthly ET estimates with relative errors less than 20% across multiple flux tower sites distributed across different biomes. This uncertainty of the SSEBop model lies within the error range of other SEB models, suggesting systematic error or bias of the SSEBop model is within

  11. Success: evolutionary and structural properties of amino acids prove effective for succinylation site prediction.

    Science.gov (United States)

    López, Yosvany; Sharma, Alok; Dehzangi, Abdollah; Lal, Sunil Pranit; Taherzadeh, Ghazaleh; Sattar, Abdul; Tsunoda, Tatsuhiko

    2018-01-19

    Post-translational modification is considered an important biological mechanism with critical impact on the diversification of the proteome. Although a long list of such modifications has been studied, succinylation of lysine residues has recently attracted the interest of the scientific community. The experimental detection of succinylation sites is an expensive process, which consumes a lot of time and resources. Therefore, computational predictors of this covalent modification have emerged as a last resort to tackling lysine succinylation. In this paper, we propose a novel computational predictor called 'Success', which efficiently uses the structural and evolutionary information of amino acids for predicting succinylation sites. To do this, each lysine was described as a vector that combined the above information of surrounding amino acids. We then designed a support vector machine with a radial basis function kernel for discriminating between succinylated and non-succinylated residues. We finally compared the Success predictor with three state-of-the-art predictors in the literature. As a result, our proposed predictor showed a significant improvement over the compared predictors in statistical metrics, such as sensitivity (0.866), accuracy (0.838) and Matthews correlation coefficient (0.677) on a benchmark dataset. The proposed predictor effectively uses the structural and evolutionary information of the amino acids surrounding a lysine. The bigram feature extraction approach, while retaining the same number of features, facilitates a better description of lysines. A support vector machine with a radial basis function kernel was used to discriminate between modified and unmodified lysines. The aforementioned aspects make the Success predictor outperform three state-of-the-art predictors in succinylation detection.

  12. Multi-site evaluation of the JULES land surface model using global and local data

    Directory of Open Access Journals (Sweden)

    D. Slevin

    2015-02-01

    Full Text Available This study evaluates the ability of the JULES land surface model (LSM to simulate photosynthesis using local and global data sets at 12 FLUXNET sites. Model parameters include site-specific (local values for each flux tower site and the default parameters used in the Hadley Centre Global Environmental Model (HadGEM climate model. Firstly, gross primary productivity (GPP estimates from driving JULES with data derived from local site measurements were compared to observations from the FLUXNET network. When using local data, the model is biased with total annual GPP underestimated by 16% across all sites compared to observations. Secondly, GPP estimates from driving JULES with data derived from global parameter and atmospheric reanalysis (on scales of 100 km or so were compared to FLUXNET observations. It was found that model performance decreases further, with total annual GPP underestimated by 30% across all sites compared to observations. When JULES was driven using local parameters and global meteorological data, it was shown that global data could be used in place of FLUXNET data with a 7% reduction in total annual simulated GPP. Thirdly, the global meteorological data sets, WFDEI and PRINCETON, were compared to local data to find that the WFDEI data set more closely matches the local meteorological measurements (FLUXNET. Finally, the JULES phenology model was tested by comparing results from simulations using the default phenology model to those forced with the remote sensing product MODIS leaf area index (LAI. Forcing the model with daily satellite LAI results in only small improvements in predicted GPP at a small number of sites, compared to using the default phenology model.

  13. Spectroscopic study on variations in illite surface properties after acid-base titration.

    Science.gov (United States)

    Liu, Wen-xin; Coveney, R M; Tang, Hong-xiao

    2003-07-01

    FT-IR, Raman microscopy, XRD, 29Si and 27Al MAS NMR, were used to investigate changes in surface properties of a natural illite sample after acid-base potentiometric titration. The characteristic XRD lines indicated the presence of surface Al-Si complexes, preferable to Al(OH)3 precipitates. In the microscopic Raman spectra, the vibration peaks of Si-O and Al-O bonds diminished as a result of treatment with acid, then increased after hydroxide back titration. The varied ratio of signal intensity between (IV)Al and (VI)Al species in 27Al MAS NMR spectra, together with the stable BET surface area after acidimetric titration, suggested that edge faces and basal planes in the layer structure of illite participated in dissolution of structural components. The combined spectroscopic evidence demonstrated that the reactions between illite surfaces and acid-leaching silicic acid and aluminum ions should be considered in the model description of surface acid-base properties of the aqueous illite.

  14. Protection of copper surface with phytic acid against corrosion in chloride solution.

    Science.gov (United States)

    Peca, Dunja; Pihlar, Boris; Ingrid, Milošev

    2014-01-01

    Phytic acid (inositol hexaphosphate) was tested as a corrosion inhibitor for copper in 3% sodium chloride. Phytic acid is a natural compound derived from plants, it is not toxic and can be considered as a green inhibitor. Electrochemical methods of linear polarization and potentiodynamic polarization were used to study the electrochemical behaviour and evaluate the inhibition effectiveness. To obtain the optimal corrosion protection the following experimental conditions were investigated: effect of surface pre-treatment (abrasion and three procedures of surface roughening), pre-formation of the layer of phytic acid, time of immersion and concentration of phytic acid. To evaluate the surface pre-treatment procedures the surface roughness and contact angle were measured. Optimal conditions for formation of phytic layer were selected resulting in the inhibition effectiveness of nearly 80%. Morphology and composition of the layer were further studied by scanning electron microscopy, energy dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy. The layer of phytic acid with thickness in the nanometer range homogeneously covers the copper surface. The obtained results show that this natural compound can be used as a mildly effective corrosion inhibitor for copper in chloride solution.

  15. The use of desk studies, remote sensing and surface geological and geophysical techniques in site investigations

    International Nuclear Information System (INIS)

    Mather, J.D.

    1984-02-01

    The geoscientific investigations required to characterise a site for the underground disposal of radioactive wastes involve a wide range of techniques and expertise. Individual national investigations need to be planned with the specific geological environment and waste form in mind. However, in any investigation there should be a planned sequence of operations leading through desk studies and surface investigations to the more expensive and sophisticated sub-surface investigations involving borehole drilling and the construction of in situ test facilities. Desk studies are an important and largely underestimated component of site investigations. Most developed countries have archives of topographical, geological and environmental data within government agencies, universities, research institutes and learned societies. Industry is another valuable source but here confidentiality can be a problem. However, in developing countries and in some regions of developed countries the amount of basic data, which needs to be collected over many decades, will not be as extensive. In such regions remote sensing offers a rapid method of examining large areas regardless of land access, vegetation or geological setting, rapidly and at relatively low cost. It can also be used to examine features, such as discontinuity patterns, over relatively small areas in support of intensive ground investigations. Examples will be given of how remote sensing has materially contributed to site characterisation in a number of countries, particularly those such as Sweden, Canada and the United Kingdom where the major effort has concentrated on crystalline rocks. The main role of desk studies and surface investigations is to provide basic data for the planning and execution of more detailed subsurface investigations. However, such studies act as a valuable screening mechanism and if they are carried out correctly can enable adverse characteristics of a site to be identified at an early stage before

  16. Superhydrophilicity of a nanofiber-covered aluminum surface fabricated via pyrophosphoric acid anodizing

    Science.gov (United States)

    Nakajima, Daiki; Kikuchi, Tatsuya; Natsui, Shungo; Suzuki, Ryosuke O.

    2016-12-01

    A superhydrophilic aluminum surface covered by numerous alumina nanofibers was fabricated via pyrophosphoric acid anodizing. High-density anodic alumina nanofibers grow on the bottom of a honeycomb oxide via anodizing in concentrated pyrophosphoric acid. The water contact angle on the nanofiber-covered aluminum surface decreased with time after a 4 μL droplet was placed on the surface, and a superhydrophilic behavior with a contact angle measuring 2.2° was observed within 2 s; this contact angle is considerably lower than those observed for electropolished and porous alumina-covered aluminum surfaces. There was no dependence of the superhydrophilicity on the density of alumina nanofibers fabricated via different constant voltage anodizing conditions. The superhydrophilic property of the surface covered by anodic alumina nanofibers was maintained during an exposure test for 359 h. The quick-drying and snow-sliding behaviors of the superhydrophilic aluminum covered with anodic alumina nanofibers were demonstrated.

  17. Adsorption of perfluoroalkyl acids by carbonaceous adsorbents: Effect of carbon surface chemistry

    International Nuclear Information System (INIS)

    Zhi, Yue; Liu, Jinxia

    2015-01-01

    Adsorption by carbonaceous sorbents is among the most feasible processes to remove perfluorooctane sulfonic (PFOS) and carboxylic acids (PFOA) from drinking and ground waters. However, carbon surface chemistry, which has long been recognized essential for dictating performance of such sorbents, has never been considered for PFOS and PFOA adsorption. Thus, the role of surface chemistry was systematically investigated using sorbents with a wide range in precursor material, pore structure, and surface chemistry. Sorbent surface chemistry overwhelmed physical properties in controlling the extent of uptake. The adsorption affinity was positively correlated carbon surface basicity, suggesting that high acid neutralizing or anion exchange capacity was critical for substantial uptake of PFOS and PFOA. Carbon polarity or hydrophobicity had insignificant impact on the extent of adsorption. Synthetic polymer-based Ambersorb and activated carbon fibers were more effective than activated carbon made of natural materials in removing PFOS and PFOA from aqueous solutions. - Highlights: • Adsorption of PFOS and PFOA by ten carbonaceous adsorbents were compared. • Surface chemistry of the adsorbents controlled adsorption affinity. • Carbon surface basicity was positively correlated with the extent of PFOS and PFOA uptake. • Carbon polarity or hydrophobicity was not correlated with adsorption affinity. • Synthetic polymer-based adsorbents were more effective in removing PFOS and PFOA. - Carbon surface basicity is the primary factor that influences adsorption affinity of the carbonaceous sorbents for perfluorooctane sulfonic and carboxylic acids

  18. Identification of metal ion binding sites based on amino acid sequences.

    Science.gov (United States)

    Cao, Xiaoyong; Hu, Xiuzhen; Zhang, Xiaojin; Gao, Sujuan; Ding, Changjiang; Feng, Yonge; Bao, Weihua

    2017-01-01

    The identification of metal ion binding sites is important for protein function annotation and the design of new drug molecules. This study presents an effective method of analyzing and identifying the binding residues of metal ions based solely on sequence information. Ten metal ions were extracted from the BioLip database: Zn2+, Cu2+, Fe2+, Fe3+, Ca2+, Mg2+, Mn2+, Na+, K+ and Co2+. The analysis showed that Zn2+, Cu2+, Fe2+, Fe3+, and Co2+ were sensitive to the conservation of amino acids at binding sites, and promising results can be achieved using the Position Weight Scoring Matrix algorithm, with an accuracy of over 79.9% and a Matthews correlation coefficient of over 0.6. The binding sites of other metals can also be accurately identified using the Support Vector Machine algorithm with multifeature parameters as input. In addition, we found that Ca2+ was insensitive to hydrophobicity and hydrophilicity information and Mn2+ was insensitive to polarization charge information. An online server was constructed based on the framework of the proposed method and is freely available at http://60.31.198.140:8081/metal/HomePage/HomePage.html.

  19. Experimental Investigation and Analysis of Mercerized and Citric Acid Surface Treated Bamboo Fiber Reinforced Composite

    Science.gov (United States)

    De, Jyotiraman; Baxi, R. N., Dr.

    2017-08-01

    Mercerization or NaOH fiber surface treatment is one of the most popular surface treatment processes to make the natural fibers such as bamboo fibers compatible for use as reinforcing material in composites. But NaOH being a chemical is hazardous and polluting to the nature. This paper explores the possibility of use of naturally derived citric acid for bamboo fiber surface treatment and its comparison with NaOH treated Bamboo Fiber Composites. Untreated, 2.5 wt% NaOH treated and 5 wt% citric acid treated Bamboo Fiber Composites with 5 wt% fiber content were developed by Hand Lay process. Bamboo mats made of bamboo slivers were used as reinforcing material. Mechanical and physical characterization was done to compare the effects of NaOH and citric acid bamboo fiber surface treatment on mechanical and physical properties of Bamboo Fiber Composite. The experiment data reveals that the tensile and flexural strength was found to be highest for citric acid and NaOH treated Bamboo Fiber Composite respectively. Water absorption tendency was found more than the NaOH treated Bamboo Fiber Composites. SEM micrographs used to analyze the morphology of fracture surface of tensile test specimens confirm improvement in fiber-matrix interface bonding due to surface treatment of bamboo fibers.

  20. Imaging Preferential Flow Pathways of Contaminants from Passive Acid Mine Drainage Mitigation Sites Using Electrical Resistivity

    Science.gov (United States)

    Kelley, N.; Mount, G.; Terry, N.; Herndon, E.; Singer, D. M.

    2017-12-01

    The Critical Zone represents the surficial and shallow layer of rock, air, water, and soil where most interactions between living organisms and the Earth occur. Acid mine drainage (AMD) resulting from coal extraction can influence both biological and geochemical processes across this zone. Conservative estimates suggest that more than 300 million gallons of AMD are released daily, making this acidic solution of water and contaminants a common issue in areas with legacy or current coal extraction. Electrical resistivity imaging (ERI) provides a rapid and minimally invasive method to identify and monitor contaminant pathways from AMD remediation systems in the subsurface of the Critical Zone. The technique yields spatially continuous data of subsurface resistivity that can be inverted to determine electrical conductivity as a function of depth. Since elevated concentrations of heavy metals can directly influence soil conductivity, ERI data can be used to trace the flow pathways or perhaps unknown mine conduits and transport of heavy metals through the subsurface near acid mine drainage sources. This study aims to examine preferential contaminant migration from those sources through substrate pores, fractures, and shallow mine workings in the near subsurface surrounding AMD sites in eastern Ohio and western Pennsylvania. We utilize time lapse ERI measures during different hydrologic conditions to better understand the variability of preferential flow pathways in relation to changes in stage and discharge within the remediation systems. To confirm ERI findings, and provide constraint to geochemical reactions occurring in the shallow subsurface, we conducted Inductively Coupled Plasma (ICP) spectrometry analysis of groundwater samples from boreholes along the survey transects. Through these combined methods, we can provide insight into the ability of engineered systems to contain and isolate metals in passive acid mine drainage treatment systems.

  1. Predicting Ligand Binding Sites on Protein Surfaces by 3-Dimensional Probability Density Distributions of Interacting Atoms

    Science.gov (United States)

    Jian, Jhih-Wei; Elumalai, Pavadai; Pitti, Thejkiran; Wu, Chih Yuan; Tsai, Keng-Chang; Chang, Jeng-Yih; Peng, Hung-Pin; Yang, An-Suei

    2016-01-01

    Predicting ligand binding sites (LBSs) on protein structures, which are obtained either from experimental or computational methods, is a useful first step in functional annotation or structure-based drug design for the protein structures. In this work, the structure-based machine learning algorithm ISMBLab-LIG was developed to predict LBSs on protein surfaces with input attributes derived from the three-dimensional probability density maps of interacting atoms, which were reconstructed on the query protein surfaces and were relatively insensitive to local conformational variations of the tentative ligand binding sites. The prediction accuracy of the ISMBLab-LIG predictors is comparable to that of the best LBS predictors benchmarked on several well-established testing datasets. More importantly, the ISMBLab-LIG algorithm has substantial tolerance to the prediction uncertainties of computationally derived protein structure models. As such, the method is particularly useful for predicting LBSs not only on experimental protein structures without known LBS templates in the database but also on computationally predicted model protein structures with structural uncertainties in the tentative ligand binding sites. PMID:27513851

  2. Hanford Site environmental data for calendar year 1989, surface and Columbia River

    International Nuclear Information System (INIS)

    Bisping, L.E.; Woodruff, R.K.

    1990-06-01

    Environmental monitoring at the Hanford Site, located in southeastern Washington State, is conducted by Battelle Memorial Institute, Pacific Northwest Division, as part of its contract to operate the Pacific Northwest Laboratory (PNL) for the US Department of Energy. The data collected provide a historical record of radionuclide and radiation levels attributable to natural causes, worldwide fallout, and Hanford operations. Data are also collected to monitor chemicals on the site and in the Columbia River. Pacific Northwest Laboratory publishes an annual environmental report Hanford Site Environmental Report for Calendar Year 1989. That report is a comprehensive source of offsite and onsite environmental monitoring data collected during 1989 by PNL's Environmental Monitoring Program. Appendix C of that report contains data summaries created from raw surface and river monitoring data. This volume contains the actual raw data used to create the summaries. Ground-water monitoring data will be available separately. Questions concerning the data appearing here can be directed to R. K. Woodruff, PNL Project Manager, Surface Environmental Surveillance Project

  3. Study of mixed Ca-Zn hydroxyapatite surface modified by lactic acid

    Science.gov (United States)

    Turki, Thouraya; Aissa, Abdallah; Bac, Christophe Goze; Rachdi, Férid; Debbabi, Mongi

    2012-07-01

    The new hybrid inorganic-organic composites, Ca(10-x)Znx(PO4)6(OH)2-lactic acid, at different amounts of zinc and lactic acid were prepared by dissolution of the organic compound in an hydroxyapatite suspension. They were characterized by XRD, IR, MAS NMR (13C and 1H) and chemical analysis. The crystallinity was slightly affected by the presence of organic fragments. IR and (13C and 1H) MAS NMR measurements indicate that the carboxylic groups of the acid interact with calcium and zinc ions of hydroxyapatite surface. Chemical analysis displays that zinc promotes the acid grafting. A mechanism of surface modification is proposed based on the obtained results.

  4. Study of mixed Ca-Zn hydroxyapatite surface modified by lactic acid

    Energy Technology Data Exchange (ETDEWEB)

    Turki, Thouraya; Aissa, Abdallah [Laboratoire de Physico-Chimie des Materiaux, Faculte des Sciences de Monastir, 5019 Monastir (Tunisia); Bac, Christophe Goze [Laboratoire Charles Coulomb, UMR 5221 CNRS/UM2, Universite Montpellier 2, Place E. Bataillon, 34095 Montpellier (France); Rachdi, Ferid, E-mail: Ferid.Rachdi@univ-montp2.fr [Laboratoire Charles Coulomb, UMR 5221 CNRS/UM2, Universite Montpellier 2, Place E. Bataillon, 34095 Montpellier (France); Debbabi, Mongi [Laboratoire de Physico-Chimie des Materiaux, Faculte des Sciences de Monastir, 5019 Monastir (Tunisia)

    2012-07-01

    The new hybrid inorganic-organic composites, Ca{sub (10-x)}Zn{sub x}(PO{sub 4}){sub 6}(OH){sub 2}-lactic acid, at different amounts of zinc and lactic acid were prepared by dissolution of the organic compound in an hydroxyapatite suspension. They were characterized by XRD, IR, MAS NMR ({sup 13}C and {sup 1}H) and chemical analysis. The crystallinity was slightly affected by the presence of organic fragments. IR and ({sup 13}C and {sup 1}H) MAS NMR measurements indicate that the carboxylic groups of the acid interact with calcium and zinc ions of hydroxyapatite surface. Chemical analysis displays that zinc promotes the acid grafting. A mechanism of surface modification is proposed based on the obtained results.

  5. Study of mixed Ca-Zn hydroxyapatite surface modified by lactic acid

    International Nuclear Information System (INIS)

    Turki, Thouraya; Aissa, Abdallah; Bac, Christophe Goze; Rachdi, Férid; Debbabi, Mongi

    2012-01-01

    The new hybrid inorganic-organic composites, Ca (10-x) Zn x (PO 4 ) 6 (OH) 2 -lactic acid, at different amounts of zinc and lactic acid were prepared by dissolution of the organic compound in an hydroxyapatite suspension. They were characterized by XRD, IR, MAS NMR ( 13 C and 1 H) and chemical analysis. The crystallinity was slightly affected by the presence of organic fragments. IR and ( 13 C and 1 H) MAS NMR measurements indicate that the carboxylic groups of the acid interact with calcium and zinc ions of hydroxyapatite surface. Chemical analysis displays that zinc promotes the acid grafting. A mechanism of surface modification is proposed based on the obtained results.

  6. Adhesion and friction in polymer films on solid substrates: conformal sites analysis and corresponding surface measurements.

    Science.gov (United States)

    An, Rong; Huang, Liangliang; Mineart, Kenneth P; Dong, Yihui; Spontak, Richard J; Gubbins, Keith E

    2017-05-21

    In this work, we present a statistical mechanical analysis to elucidate the molecular-level factors responsible for the static and dynamic properties of polymer films. This analysis, which we term conformal sites theory, establishes that three dimensionless parameters play important roles in determining differences from bulk behavior for thin polymer films near to surfaces: a microscopic wetting parameter, α wx , defined as the ratio of polymer-substrate interaction to polymer-polymer interaction; a dimensionless film thickness, H*; and dimensionless temperature, T*. The parameter α wx introduced here provides a more fundamental measure of wetting than previous metrics, since it is defined in terms of intermolecular forces and the atomic structure of the substrate, and so is valid at the nanoscale for gas, liquid or solid films. To test this theoretical analysis, we also report atomic force microscopy measurements of the friction coefficient (μ), adhesion force (F A ) and glass transition temperature (T g ) for thin films of two polymers, poly(methyl methacrylate) (PMMA) and polystyrene (PS), on two planar substrates, graphite and silica. Both the friction coefficient and the glass transition temperature are found to increase as the film thickness decreases, and this increase is more pronounced for the graphite than for the silica surface. The adhesion force is also greater for the graphite surface. The larger effects encountered for the graphite surface are attributed to the fact that the microscopic wetting parameter, α wx , is larger for graphite than for silica, indicating stronger attraction of polymer chains to the graphite surface.

  7. Titan's surface spectra at the Huygens landing site and Shangri-La

    Science.gov (United States)

    Rannou, P.; Toledo, D.; Lavvas, P.; D'Aversa, E.; Moriconi, M. L.; Adriani, A.; Le Mouélic, S.; Sotin, C.; Brown, R.

    2016-05-01

    Titan is an icy satellite of Saturn with a dense atmosphere and covered by a global photochemical organic haze. Ground based observations and the Huygens descent probe allowed to retrieve the main spectral signature of the water ice (Griffith, C.A. et al. [2003]. Science 300(5619), 628-630; Coustenis, A. et al. [2005]. Icarus 177, 89-105) at the surface, possibly covered by a layer of sedimented organic material (Tomasko, M.G. et al. [2005]. Nature 438(7069), 765-778). However, the spectrum of the surface is not yet understood. In this study, we find that the surface reflectivity at the Huygens Landing Site (HLS) is well modeled by a layer of water ice grains overlaid by a moist layer of weakly compacted photochemical aggregated aerosols. Moist soils have spectra shifted toward short wavelengths relatively to spectra of dry soils. Cassini observations of Shangri-La region from orbit also show a very dark surface with a reflectivity peak shifted toward short wavelengths in respect to the reflectivity peak of bright surfaces, revealing a dichotomy between terrains based to their spectra in visible.

  8. Directed Hierarchical Patterning of Polycarbonate Bisphenol A Glass Surface along Predictable Sites

    Directory of Open Access Journals (Sweden)

    Mazen Khaled

    2015-01-01

    Full Text Available This paper reports a new approach in designing textured and hierarchical surfaces on polycarbonate bisphenol A type glass to improve hydrophobicity and dust repellent application for solar panels. Solvent- and vapor-induced crystallization of thermoplastic glass polycarbonate bisphenol A (PC is carried out to create hierarchically structured surfaces. In this approach dichloromethane (DCM and acetone are used in sequence. Samples are initially immersed in DCM liquid to generate nanopores, followed by exposing to acetone vapor resulting in the generation of hierarchical structure along the interporous sites. The effects of exposure time on the size, density, and distance of the generated spherules and gaps are studied and correlated with the optical transmittance and contact angle measurements at the surface. At optimized exposure time a contact angle of 98° was achieved with 80% optical transmittance. To further increase the hydrophobicity while maintaining optical properties, the hierarchical surfaces were coated with a transparent composite of tetraethyl orthosilicate as precursor and hexamethyldisilazane as silylation agent resulting in an average contact angle of 135.8° and transmittance of around 70%. FTIR and AFM characterization techniques are employed to study the composition and morphology of the generated surfaces.

  9. Remaining Sites Verification Package for the 100-B-1 Surface Chemical and Solid Waste Dumping Area,. Attachment to Waste Site Reclassification Form 2006-003

    International Nuclear Information System (INIS)

    Carlson, R.A.

    2006-01-01

    The 100-B-1 waste site was a dumping site that was divided into two areas. One area was used as a laydown area for construction materials, and the other area was used as a chemical dumping area. The 100-B-1 Surface Chemical and Solid Waste Dumping Area site meets the remedial action objectives specified in the Remaining Sites ROD. The results demonstrate that residual contaminant concentrations support future unrestricted land uses that can be represented by a rural-residential scenario. The results also demonstrate that residual contaminant concentrations are protective of groundwater and the Columbia River

  10. Towards corrosion testing of unglazed solar absorber surfaces in simulated acid rain

    International Nuclear Information System (INIS)

    Salo, T.; Pehkonen, A.; Konttinen, P.; Lund, P.

    2005-01-01

    Electrochemical impedance spectroscopy and potentiodynamic polarization tests were utilized for determining corrosion probabilities of unglazed C/Al 2 O 3 /Al solar absorber surfaces in simulated acid rain. Previously, the main degradation mechanism found was exponentially temperature-related hydration of aluminium oxide. In acid rain tests the main corrosion determinant was the pH value of the rain. Results indicate that these methods measure corrosion characteristics of Al substrate instead of the C/Al 2 O 3 /Al surface, probably mainly due to the rough and non-uniform microstructure of the latter. Further analyses of the test methods are required in order to estimate their applicability on Al-based uniform sputtered absorber surfaces. (author) (C/Al 2 O 3 /Al solar absorber; Acid rain; Corrosion; Electrochemical tests)

  11. Enriched surface acidity for surfactant-free suspensions of carboxylated carbon nanotubes purified by centrifugation

    Directory of Open Access Journals (Sweden)

    Elizabeth I. Braun

    2016-06-01

    Full Text Available It is well known that surfactant-suspended carbon nanotube (CNT samples can be purified by centrifugation to decrease agglomerates and increase individually-dispersed CNTs. However, centrifugation is not always part of protocols to prepare CNT samples used in biomedical applications. Herein, using carboxylated multi-walled CNTs (cMWCNTs suspended in water without a surfactant, we developed a Boehm titrimetric method for the analysis of centrifuged cMWCNT suspensions and used it to show that the surface acidity of oxidized carbon materials in aqueous cMWCNT suspensions was enriched by ∼40% by a single low-speed centrifugation step. This significant difference in surface acidity between un-centrifuged and centrifuged cMWCNT suspensions has not been previously appreciated and is important because the degree of surface acidity is known to affect the interactions of cMWCNTs with biological systems.

  12. Vapor-Phase Hydrodeoxygenation of Guaiacol to Aromatics over Pt/HBeta: Identification of the Role of Acid Sites and Metal Sites on the Reaction Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Nie, Lei [Collaborative Innovation Center of Chemical Science and Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 P.R. China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, P.O. Box 999 Richland WA 99352 USA; Peng, Bo [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, P.O. Box 999 Richland WA 99352 USA; Zhu, Xinli [Collaborative Innovation Center of Chemical Science and Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 P.R. China

    2018-02-05

    Hydrodeoxygenation of guaiacol, a phenolic compound derived from lignin fraction of biomass, over a Pt/HBeta catalyst at 350 °C and atmospheric pressure produces benzene, toluene, xylenes, and C9+ aromatics with yield of 42%, 29%, 12%, and 5%, respectively. Reaction pathways for conversion of two functional groups (hydroxyl and methoxyl) over the bifunctional catalyst were studied. Both guaiacol and intermediate products (catechol and cyclopentanone) were fed onto zeolite HBeta and Pt/SiO2 to identify the individual role of acid site and metal site. Acid sites (mainly Brønsted acid site, BAS) catalyze transalkylation and dehydroxylation reactions in sequence, producing phenol, cresols and xylenols as the major products at high conversion. Pt sites catalyze demethylation reaction resulting in catechol as the primary product, which can either be deoxygenated to phenol followed by phenol to benzene, or decarbonylated to cyclopentanone and further to butane. The close proximity of Pt and BAS in bifunctional Pt/HBeta enables both transalkylation and deoxygenation reactions with inhibited demethylation and decarbonylation reactions, producing aromatics as major final products with a total yield > 85%. Both activity and stability of bifunctional Pt/HBeta during hydrodeoxygenation of guaiacol is improved compared to HBeta and Pt/SiO2. The addition of water to the feed further improves the activity and stability via hydrolysis of O-CH3 bond of guaiacol on BAS and removing coke around Pt.

  13. Dansyl labeling to modulate the relative affinity of bile acids for the binding sites of human serum albumin.

    Science.gov (United States)

    Rohacova, Jana; Sastre, German; Marin, M Luisa; Miranda, Miguel A

    2011-09-08

    Binding of natural bile acids to human serum albumin (HSA) is an important step in enterohepatic circulation and provides a measure of liver function. In this article, we report on the use of four dansyl (Dns) derivatives of cholic acid (ChA) to demonstrate a regiodifferentiation in their relative affinity for the two binding sites of HSA. Using both steady-state and time-resolved fluorescence, formation of Dns-ChA@HSA complexes was confirmed; the corresponding binding constants were determined, and their distribution between bulk solution and HSA microenvironment was estimated. By means of energy transfer from Trp to the Dns moiety, donor-acceptor distances were estimated (21-25 Å) and found to be compatible with both site 1 and site 2 occupancies. Nevertheless, titration using warfarin and ibuprofen as specific displacement probes clearly indicated that 3α- and 3β-Dns-ChA bind to HSA at site 2, whereas their C-7 regioisomers bind to HSA at site 1. Furthermore, the C-3-labeled compounds are displaced by lithocholic acid, whereas they are insensitive to ChA, confirming the assumption that the former binds to HSA at site 2. Thus, Dns labeling provides a useful tool to modulate the relative affinity of ChA to the major binding sites of HSA and, in combination with other fluorescent ChA analogs, to mimic the binding behavior of natural bile acids.

  14. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Science.gov (United States)

    Sych, N. V.; Trofymenko, S. I.; Poddubnaya, O. I.; Tsyba, M. M.; Sapsay, V. I.; Klymchuk, D. O.; Puziy, A. M.

    2012-11-01

    Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 °C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (SBET = 2081 m2/g, Vtot = 1.1 cm3/g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0-2.6), weakly acidic carboxylic (pK = 4.7-5.0), enol/lactone (pK = 6.7-7.4; 8.8-9.4) and phenol (pK = 10.1-10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  15. Hanford Site environmental data for calendar year 1994: Surface and Columbia River

    International Nuclear Information System (INIS)

    Bisping, L.E.

    1995-07-01

    Environmental monitoring at the Hanford Site, located in southeastern Washington State, is conducted by Battelle Memorial Institute, Pacific Northwest Division, as part of its contract to operate the Pacific Northwest Laboratory (PNL) for the US Department of Energy. The data collected provide a historical record of radionuclide and radiation levels attributable to natural causes, worldwide fallout, and Hanford operations. Data are also collected to monitor several chemicals. Pacific Northwest Laboratory publishes an annual environmental report for the Hanford Site each calendar year. The Hanford Site Environmental Report for Calendar Year 1994 describes the Site mission and activities, general environmental features, radiological and chemical releases from operations, status of compliance with environmental regulations, status of programs to accomplish compliance, and environmental monitoring activities and results. The report includes a summary of offsite and onsite environmental monitoring data collected during 1994 b PNL's Environmental Monitoring Program. Appendix A of that report contains data summaries created from raw surface and river monitoring data. This volume contains the actual raw data used to create the summaries

  16. Hanford Site environmental data for calendar year 1993--surface and Columbia River

    International Nuclear Information System (INIS)

    Bisping, L.E.

    1994-06-01

    Environmental monitoring at the Hanford Site, located in southeastern Washington State, is conducted by Battelle Memorial Institute, Pacific Northwest Division, as part of its contract to operate the Pacific Northwest Laboratory (PNL) for the U.S. Department of Energy. The data collected provide a historical record of radionuclide and radiation levels attributable to natural causes, worldwide fallout, and Hanford operations. Data are also collected to monitor several chemicals. Pacific Northwest Laboratory publishes an annual environmental report for the Hanford Site each calendar year. The Hanford Site Environmental Report for Calendar Year 1993 describes the Site mission and activities, general environmental features, radiological and chemical releases from operations, status of compliance with environmental regulations, status of programs to accomplish compliance, and environmental monitoring activities and results. The report includes a summary of offsite and onsite environmental monitoring data collected during 1993 by PNL's Environmental Monitoring Program. Appendix A of that report contains data summaries created from raw surface and river monitoring data. This volume contains the actual raw data used to create the summaries

  17. Hanford Site environmental data for calendar year 1994: Surface and Columbia River

    Energy Technology Data Exchange (ETDEWEB)

    Bisping, L.E.

    1995-07-01

    Environmental monitoring at the Hanford Site, located in southeastern Washington State, is conducted by Battelle Memorial Institute, Pacific Northwest Division, as part of its contract to operate the Pacific Northwest Laboratory (PNL) for the US Department of Energy. The data collected provide a historical record of radionuclide and radiation levels attributable to natural causes, worldwide fallout, and Hanford operations. Data are also collected to monitor several chemicals. Pacific Northwest Laboratory publishes an annual environmental report for the Hanford Site each calendar year. The Hanford Site Environmental Report for Calendar Year 1994 describes the Site mission and activities, general environmental features, radiological and chemical releases from operations, status of compliance with environmental regulations, status of programs to accomplish compliance, and environmental monitoring activities and results. The report includes a summary of offsite and onsite environmental monitoring data collected during 1994 b PNL`s Environmental Monitoring Program. Appendix A of that report contains data summaries created from raw surface and river monitoring data. This volume contains the actual raw data used to create the summaries.

  18. Hanford Site environmental data for calendar year 1993--surface and Columbia River

    Energy Technology Data Exchange (ETDEWEB)

    Bisping, L.E.

    1994-06-01

    Environmental monitoring at the Hanford Site, located in southeastern Washington State, is conducted by Battelle Memorial Institute, Pacific Northwest Division, as part of its contract to operate the Pacific Northwest Laboratory (PNL) for the U.S. Department of Energy. The data collected provide a historical record of radionuclide and radiation levels attributable to natural causes, worldwide fallout, and Hanford operations. Data are also collected to monitor several chemicals. Pacific Northwest Laboratory publishes an annual environmental report for the Hanford Site each calendar year. The Hanford Site Environmental Report for Calendar Year 1993 describes the Site mission and activities, general environmental features, radiological and chemical releases from operations, status of compliance with environmental regulations, status of programs to accomplish compliance, and environmental monitoring activities and results. The report includes a summary of offsite and onsite environmental monitoring data collected during 1993 by PNL`s Environmental Monitoring Program. Appendix A of that report contains data summaries created from raw surface and river monitoring data. This volume contains the actual raw data used to create the summaries.

  19. Preparation of PES ultrafiltration membranes with natural amino acids based zwitterionic antifouling surfaces

    International Nuclear Information System (INIS)

    Xu, Chen; Liu, Xiaojiu; Xie, Binbin; Yao, Chen; Hu, Wenhan; Li, Yi; Li, Xinsong

    2016-01-01

    Highlights: • Amino acids have been successfully grafted onto the surface of PES membranes via amino groups induced epoxy ring opening. • Zwitterionic PES ultrafiltration membranes exhibit excellent antifouling performance and improved permeation properties. • A facile strategy to combat fouling of PES ultrafiltration membranes is developed by grafting natural amino acids. - Abstract: In this report, a simple and facile approach to enhance the antifouling property of poly(ether sulfone) (PES) ultrafiltration membrane was developed by grafting natural amino acids onto surface. First of all, poly(ether sulfone) composite membranes blended with poly(glycidyl methacrylate) were fabricated by phase inversion method followed by grafting of different types of natural amino acids onto the membrane surface through epoxy ring opening reaction. The analysis of attenuated total reflectance Fourier transform infrared spectroscopy (ATR/FTIR) and X-ray photoelectron spectroscopy (XPS) verified the substantial enrichment of amino acids onto the surface of PES membranes. The hydrophilicity of the PES membranes was improved after grafting amino acids. The mechanical property and morphologies of the PES membranes proved that their basic performances were not obviously affected by grafting reaction, and these parameters were all still in the typical range for ultrafiltration membranes. The antifouling property of the grafted PES membranes against bovine serum albumin (BSA) and lysozyme (Lyz) was investigated in detail. It was found that PES membranes incorporated with neutral amino acids exhibited higher fouling resistance to both BSA and Lyz than the parent PES membrane. It can be ascribed to the formation of zwitterionic structure on the surface consisting of protonated secondary amino cations and carboxyl anions. Meanwhile, PES membranes grafted with charged amino acids had better antifouling properties against protein with same electric charges and improved adsorption

  20. Preparation of PES ultrafiltration membranes with natural amino acids based zwitterionic antifouling surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Chen; Liu, Xiaojiu; Xie, Binbin; Yao, Chen [School of Chemistry and Chemical Engineering, Southeast University, Nanjing, 211189 (China); Hu, Wenhan; Li, Yi [Suzhou Faith & Hope Membrane Technology Co., Ltd., Suzhou, 215000 (China); Li, Xinsong, E-mail: lixs@seu.edu.cn [School of Chemistry and Chemical Engineering, Southeast University, Nanjing, 211189 (China)

    2016-11-01

    Highlights: • Amino acids have been successfully grafted onto the surface of PES membranes via amino groups induced epoxy ring opening. • Zwitterionic PES ultrafiltration membranes exhibit excellent antifouling performance and improved permeation properties. • A facile strategy to combat fouling of PES ultrafiltration membranes is developed by grafting natural amino acids. - Abstract: In this report, a simple and facile approach to enhance the antifouling property of poly(ether sulfone) (PES) ultrafiltration membrane was developed by grafting natural amino acids onto surface. First of all, poly(ether sulfone) composite membranes blended with poly(glycidyl methacrylate) were fabricated by phase inversion method followed by grafting of different types of natural amino acids onto the membrane surface through epoxy ring opening reaction. The analysis of attenuated total reflectance Fourier transform infrared spectroscopy (ATR/FTIR) and X-ray photoelectron spectroscopy (XPS) verified the substantial enrichment of amino acids onto the surface of PES membranes. The hydrophilicity of the PES membranes was improved after grafting amino acids. The mechanical property and morphologies of the PES membranes proved that their basic performances were not obviously affected by grafting reaction, and these parameters were all still in the typical range for ultrafiltration membranes. The antifouling property of the grafted PES membranes against bovine serum albumin (BSA) and lysozyme (Lyz) was investigated in detail. It was found that PES membranes incorporated with neutral amino acids exhibited higher fouling resistance to both BSA and Lyz than the parent PES membrane. It can be ascribed to the formation of zwitterionic structure on the surface consisting of protonated secondary amino cations and carboxyl anions. Meanwhile, PES membranes grafted with charged amino acids had better antifouling properties against protein with same electric charges and improved adsorption

  1. Data Validation Package September 2016 Groundwater and Surface Water Sampling at the Slick Rock, Colorado, Processing Sites January 2017

    Energy Technology Data Exchange (ETDEWEB)

    Traub, David [Navarro Research and Engineering, Inc., Oak Ridge, TN (United States); Nguyen, Jason [US Department of Energy, Washington, DC (United States)

    2017-01-04

    The Slick Rock, Colorado, Processing Sites are referred to as the Slick Rock West Processing Site (SRK05) and the Slick Rock East Processing Site (SRK06). This annual event involved sampling both sites for a total of 16 monitoring wells and 6 surface water locations as required by the 2006 Draft Final Ground Water Compliance Action Plan for the Slick Rock, Colorado, Processing Sites (GCAP). A domestic well was also sampled at a property adjacent to the Slick Rock East site at the request of the landowner.

  2. Effects of sodium on cell surface and intracellular 3H-naloxone binding sites

    International Nuclear Information System (INIS)

    Pollack, A.E.; Wooten, G.F.

    1987-01-01

    The binding of the opiate antagonist 3 H-naloxone was examined in rat whole brain homogenates and in crude subcellular fractions of these homogenates (nuclear, synaptosomal, and mitochondrial fractions) using buffers that approximated intra- (low sodium concentration) and extracellular (high sodium concentration) fluids. Saturation studies showed a two-fold decrease in the dissociation constant (Kd) in all subcellular fractions examined in extracellular buffer compared to intracellular buffer. In contrast, there was no significant effect of the buffers on the Bmax. Thus, 3 H-naloxone did not distinguish between binding sites present on cell surface and intracellular tissues in these two buffers. These results show that the sodium effect of opiate antagonist binding is probably not a function of altered selection of intra- and extracellular binding sites. 17 references, 2 tables

  3. Use of artificial barriers in a site for surface storage of radioactive waste

    International Nuclear Information System (INIS)

    Gros, J.C.; Madoz-Escande, C.; Metivier, J.M.; Grimaud, P.

    1990-01-01

    The objective is the on site study of the influence of an injection screen on the flow in a water table of a porous medium, in order to improve the safety of a surface radioactive waste storage site. A hydrodispersive study has provided information for the definition of the role of the screen: the transfer times of the pollutant in the water table are increased by a factor of 2 and, in comparison, the concentration are clearly reduced by a factor of 10. The implantation of an injection screen in the ground should result in an improvement in the restrictive quality of the barrier and the contamination of an aquifer should be slower without interruption to the flow

  4. Sulfur-Hz(CHx)y(z = 0,1) functionalized metal oxide nanostructure decorated interfaces: Evidence of Lewis base and Brönsted acid sites – Influence on chemical sensing

    International Nuclear Information System (INIS)

    Laminack, William; Baker, Caitlin; Gole, James

    2015-01-01

    Nanostructure metal oxide decorated n-type extrinsic porous silicon (PS) semiconductor interfaces are modified through in-situ interaction with acidic ethane and butane thiols (EtSH, BuSH) and basic diethyl sulfide (Et 2 S). Highly sensitive conductometric sensor evaluations and X-ray Photoelectron Spectroscopy demonstrate the effect of sulfur group functionalization modifying the acidity of the metal oxides and their interaction with NH 3 . SEM micrographs demonstrate that the sulfur treated particles are less than 30 nm in size. EDAX studies confirm the chemical composition of the modified nanoparticles and suggest the surface interaction of the sulfides and thiols. The acidic thiols can form Brönsted acidic sites enhancing the acidity of the metal oxides, thus broadening the initial metal oxide acidity range. The sulfides interact to lower the Lewis acidity of nanostructured metal oxide sites. Conductometric response matrices with NH 3 at room temperature, corresponding to the thiol and sulfide treated nanostructures of the metal oxides TiO 2 , SnO x , Ni x O, Cu x O, and Au x O (x >> 1) are evaluated for a dominant electron transduction process forming the basis for reversible chemical sensing in the absence of chemical bond formation. Treatment with the acidic thiols enhances the metal center acidity. It is suggested that the thiols can interact to increase the Brönsted acidity of the doped metal oxide surface if they maintain SH bonds. This process may account for the shift in Lewis acidity as the Brönsted acid sites counter the decrease in Lewis acidity resulting from the interaction of S-(CH x ) y groups. In contrast, treatment with basic Et 2 S decreases the Lewis acidity of the metal oxide sites, enhancing the basicity of the decorated interface. XPS measurements indicate a change in binding energy (BE) of the metal and oxygen centers. The observed changes in conductometric response do not represent a simple increase in surface acidity or basicity but

  5. Meteorological data for four sites at surface-disruption features in Yucca Flat, Nevada Test Site, Nye County, Nevada, 1985--1986

    International Nuclear Information System (INIS)

    Carman, R.L.

    1994-01-01

    Surface-disruption features, or craters, resulting from underground nuclear testing at the Nevada Test Site may increase the potential for ground-water recharge in an area that would normally produce little, if any, recharge. This report presents selected meteorological data resulting from a study of two surface-disruption features during May 1985 through June 1986. The data were collected at four adjacent sites in Yucca Flat, about 56 kilometers north of Mercury, Nevada. Three sites (one in each of two craters and one at an undisturbed site at the original land surface) were instrumented to collect meteorological data for calculating bare-soil evaporation. These data include (1) long-wave radiation, (2) short-wave radiation, (3) net radiation, (4) air temperature, and (5) soil surface temperature. Meteorological data also were collected at a weather station at an undisturbed site near the study craters. Data collected at this site include (1) air temperature, (2) relative humidity, (3) wind velocity, and (4) wind direction

  6. Viking landing sites, remote-sensing observations, and physical properties of Martian surface materials

    Science.gov (United States)

    Moore, H.J.; Jakosky, B.M.

    1989-01-01

    Important problems that confront future scientific exploration of Mars include the physical properties of Martian surface materials and the geologic processes that formed the materials. The design of landing spacecraft, roving vehicles, and sampling devices and the selection of landing sites, vehicle traverses, and sample sites will be, in part, guided by the physical properties of the materials. Four materials occur in the sample fields of the Viking landers: (1) drift, (2) crusty to cloddy, (3) blocky, and (4) rock. The first three are soillike. Drift materials is weak, loose, and porous. We estimate that it has a dielectric constant near 2.4 and a thermal inertia near 1 ?? 10-3 to 3 ?? 10-3 (cal cm-2 sec 1 2 K-1) because of its low bulk density, fine grain size, and small cohesion. Crusty to cloddy material is expected to have a dielectric constant near 2.8 and a thermal inertia near 4 ?? 10-3 to 7 ?? 10-3 because of its moderate bulk density and cementation of grains. Blocky material should have a dielectric constant near 3.3 and a thermal inertia near 7 ?? 10-3 to 9 ?? 10-3 because of its moderate bulk density and cementation. Common basaltic rocks have dielectric constans near 8 and thermal inertias near 30 ?? 10-3 to 60 ?? 10-3. Comparisons of estimated dielectric constants and thermal inertias of the materials at the landing sites with those obtained remotely by Earth-based radars and Viking Orbiter thermal sensors suggest that the materials at the landing sites are good analogs for materials elsewhere on Mars. Correlation of remotely estimated dielectric constant and thermal inertias indicates two modal values for paired values of dielectric constants and thermal inertias near (A) 2 and 2 ?? 10-3 and (B) 3 and 6 ?? 10-3, respectively. These two modes are comparable to the dielectric constants and thermal inertias for drift and crusty to cloddy material, respectively. Dielectric constants and thermal inertias for blocky material are larger but conistent

  7. A peer review of the Hanford Site Permanent Isolation Surface Barrier Development Program

    International Nuclear Information System (INIS)

    Wing, N.R.

    1992-09-01

    A panel of technical experts was organized to peer review the Hanford Site Permanent Isolation Surface Barrier Development Program (BDP) and to provide a specific review of a preconceptual prototype barrier design initiated during fiscal year (FY) 1990. The technical peer review of the BDP and the prototype is being conducted in three phases, two of which have been completed. This document presents the peer review panel's findings on the first two phases of the peer review process. Biointrusion and water intrusion control are discussed, along with design life, vegetation, and climate impact

  8. Surface and subsurface cleanup protocol for radionuclides, Gunnison, Colorado, UMTRA project processing site

    International Nuclear Information System (INIS)

    Gonzales, D.

    1993-12-01

    Surface and subsurface soil cleanup protocols for the Gunnison, Colorado, processing site are summarized as follows: In accordance with EPA-promulgated land cleanup standards, in situ Ra-226 is to be cleaned up based on bulk concentrations not exceeding 5 and 15 pCi/g in 15-cm surface and subsurface depth increments, averaged over 100m 2 grid blocks, where the parent Ra-226 concentrations are greater than, or in secular equilibrium with, the Th-230 parent. In locations where Th-230 has differentially migrated in subsoil relative to Ra-226, a Th-230 clean up protocol has been developed. The cleanup of other radionuclides or nonradiological hazards that pose a significant threat to the public and the environment will be determined and implemented in accordance with pathway analysis to assess impacts and the implications of ALARA specified in 40 CFR Part 192 relative to supplemental standards

  9. Signaling-sensitive amino acids surround the allosteric ligand binding site of the thyrotropin receptor.

    Science.gov (United States)

    Kleinau, Gunnar; Haas, Ann-Karin; Neumann, Susanne; Worth, Catherine L; Hoyer, Inna; Furkert, Jens; Rutz, Claudia; Gershengorn, Marvin C; Schülein, Ralf; Krause, Gerd

    2010-07-01

    The thyrotropin receptor [thyroid-stimulating hormone receptor (TSHR)], a G-protein-coupled receptor (GPCR), is endogenously activated by thyrotropin, which binds to the extracellular region of the receptor. We previously identified a low-molecular-weight (LMW) agonist of the TSHR and predicted its allosteric binding pocket within the receptor's transmembrane domain. Because binding of the LMW agonist probably disrupts interactions or leads to formation of new interactions among amino acid residues surrounding the pocket, we tested whether mutation of residues at these positions would lead to constitutive signaling activity. Guided by molecular modeling, we performed site-directed mutagenesis of 24 amino acids in this spatial region, followed by functional characterization of the mutant receptors in terms of expression and signaling, measured as cAMP accumulation. We found that mutations V421I, Y466A, T501A, L587V, M637C, M637W, S641A, Y643F, L645V, and Y667A located in several helices exhibit constitutive activity. Of note is mutation M637W at position 6.48 in transmembrane helix 6, which has a significant effect on the interaction of the receptor with the LMW agonist. In summary, we found that a high proportion of residues in several helices surrounding the allosteric binding site of LMW ligands in the TSHR when mutated lead to constitutively active receptors. Our findings of signaling-sensitive residues in this region of the transmembrane bundle may be of general importance as this domain appears to be evolutionarily retained among GPCRs.

  10. Superhydrophobic copper surfaces fabricated by fatty acid soaps in aqueous solution for excellent corrosion resistance

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Wenlong; Hu, Yuanyuan; Bao, Wenda; Xie, Xiaoyu; Liu, Yiran; Song, Aixin, E-mail: songaixin@sdu.edu.cn; Hao, Jingcheng

    2017-03-31

    Highlights: • The superhydrophobic property can be realized in a much quicker process (7.5 min) in aqueous solution than in ethanol. • The fabrication process of superhydrophobic metal surfaces greatly increases the safety in industrial manufacture in commercial scale. • The superhydrophobic copper surfaces show excellent corrosion resistance. - Abstract: A simple and safe one-step immersion method was developed to obtain the stable superhydrophobic copper surfaces with excellent corrosion resistance ability using fatty acids in water-medium instead of ethanol. An organic alkali, N,N-dimethylcyclohexylamine (DMCHA), was chosen to solve the poor solubility of fatty acids in water and the high Krafft point of carboxylate salts with inorganic counterions. The superhydrophobic property can be realized in a much quicker process (7.5 min) in aqueous solution than in ethanol (more than 2 d), which is universally feasible for the fabrication of superhydrophobic metal surfaces in industry scale, thereby greatly increasing the safety in industrial manufacture.

  11. Description of climate, surface hydrology, and near-surface hydrogeology. Preliminary site description. Forsmark area - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Johansson, Per-Olof [Artesia Grundvattenkonsult AB, Stockholm (Sweden); Werner, Kent [SWECO VIAK AB/Golder Associates AB, Stockholm (Sweden); Bosson, Emma; Berglund, Sten [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Juston, John [DBE Sweden, Uppsala (Sweden)

    2005-06-15

    The Swedish Nuclear Fuel and Waste Management Company (SKB) is conducting site investigations at two different locations, the Forsmark and Simpevarp areas, with the objective of siting a geological repository for spent nuclear fuel. The results from the investigations at the sites are used as a basic input to the development of Site Descriptive Models (SDM). The SDM shall summarise the current state of knowledge of the site, and provide parameters and models to be used in further analyses within Safety Assessment, Repository Design and Environmental Impact Assessment. The present report is a background report describing the meteorological conditions and the modelling of surface hydrology and near-surface hydrogeology in support of the Forsmark version 1.2 SDM based on the data available in the Forsmark 1.2 'data freeze' (July 31, 2004). The groundwater is very shallow, with groundwater levels within one meter below ground as an annual mean for almost all groundwater monitoring wells. Also, the annual groundwater level amplitude is less than 1.5 m for most wells. The shallow groundwater levels mean that there is a strong interaction between evapotranspiration, soil moisture and groundwater. In the modelling, surface water and near-surface groundwater divides are assumed to coincide. The small-scale topography implies that many local, shallow groundwater flow systems are formed in the Quaternary deposits, overlaying more large-scale flow systems associated with groundwater flows at greater depths. Groundwater level time series from wells in till and bedrock within the same areas show a considerably higher groundwater level in the till than in the bedrock. The observed differences in levels are not fully consistent with the good hydraulic contact between overburden and bedrock indicated by the hydraulic tests in the Quaternary deposits. However, the relatively lower groundwater levels in the bedrock may be caused by the horizontal to sub-horizontal highly

  12. Characteristics of surface ozone and nitrogen oxides at urban, suburban and rural sites in Ningbo, China

    Science.gov (United States)

    Tong, Lei; Zhang, Huiling; Yu, Jie; He, Mengmeng; Xu, Nengbin; Zhang, Jingjing; Qian, Feizhong; Feng, Jiayong; Xiao, Hang

    2017-05-01

    Surface ozone (O3) is a harmful air pollutant that has attracted growing concern in China. In this study, the mixing ratios of O3 and nitrogen oxides (NOx) at three different sites (urban, suburban and rural) of Ningbo were continuously measured to investigate the spatiotemporal characteristics of O3 and its relationships with environmental variables. The diurnal O3 variations were characterized by afternoon maxima (38.7-53.1 ppb on annual average) and early morning minima (11.7-26.2 ppb) at all the three sites. Two seasonal peaks of O3 were observed in spring (April or May) and autumn (October) with minima being observed in winter (December). NOx levels showed generally opposite variations to that of O3 with diurnal and seasonal maxima occurring in morning/evening rush-hours and in winter, respectively. As to the inter-annual variations of air pollutants, generally decreasing and increasing trends were observed in NO and O3 levels, respectively, from 2012 to 2015 at both urban and suburban sites. O3 levels were positively correlated with temperature but negatively correlated with relative humidity and NOx levels. Significant differences in O3 levels were observed for different wind speeds and wind directions (p variation, higher levels of O3 were observed at the suburban and rural sites where less O3 was depleted by NO titration. In contrast, the urban site exhibited lower O3 but higher NOx levels due to the influence of traffic emissions. Larger amplitudes of diurnal and monthly O3 variations were observed at the suburban site than those at the urban and rural sites. In general, the O3 levels at the non-urban sites were more affected by the background transport, while both the local and regional contributions played roles in urban O3 variations. The annual average O3 mixing ratios (22.7-37.7 ppb) in Ningbo were generally similar to those of other regions around the world. However, the recommended air quality standards for O3 were often exceeded during warm

  13. New insight into photo-bromination processes in saline surface waters: The case of salicylic acid

    International Nuclear Information System (INIS)

    Tamtam, Fatima; Chiron, Serge

    2012-01-01

    It was shown, through a combination of field and laboratory observations, that salicylic acid can undergo photo-bromination reactions in sunlit saline surface waters. Laboratory-scale experiments revealed that the photochemical yields of 5-bromosalicylic acid and 3,5-dibromosalicylic acid from salicylic acid were always low (in the 4% range at most). However, this might be of concern since these compounds are potential inhibitors of the 20α-hydroxysteroid dehydrogenase enzyme, with potential implications in endocrine disruption processes. At least two mechanisms were involved simultaneously to account for the photo-generation of brominated substances. The first one might involve the formation of reactive brominated radical species (Br·, Br 2 · − ) through hydroxyl radical mediated oxidation of bromide ions. These ions reacted more selectively than hydroxyl radicals with electron-rich organic pollutants such as salicylic acid. The second one might involve the formation of hypobromous acid, through a two electron oxidation of bromine ions by peroxynitrite. This reaction was catalyzed by nitrite, since these ions play a crucial role in the formation of nitric oxide upon photolysis. This nitric oxide further reacts with superoxide radical anions to yield peroxynitrite and by ammonium through the formation of N-bromoamines, probably due to the ability of N-bromoamines to promote the aromatic bromination of phenolic compounds. Field measurements revealed the presence of salicylic acid together with 5-bromosalicylic and 3,5-dibromosalicylic acid in a brackish coastal lagoon, thus confirming the environmental significance of the proposed photochemically induced bromination pathways. -- Highlights: ► Brominated derivatives of salicylic acid were detected in a brackish lagoon. ► A photochemical pathway was hypothesized to account for bromination of salicylic acid. ► Radical bromine species are partly responsible for the bromination process. ► Hypobromous acid

  14. Influence of citric acid on the surface texture of glass ionomer restorative materials.

    Science.gov (United States)

    Reddy, Dappili Swami Ranga; Kumar, Ramachandran Anil; Venkatesan, Sokkalingam Mothilal; Narayan, Gopal Shankar; Duraivel, Dasarathan; Indra, Rajamani

    2014-09-01

    This study determined the effectiveness of G-coat plus surface protective agent over petroleum jelly on the surface texture of conventional Glass ionomer restorative materials. Three chemically cured conventional glass ionomer restorative materials type II, type IX and ketac molar were evaluated in this study. Sixty specimens were made for each restorative material. They were divided into two groups of thirty specimens each. Of the sixty specimens, thirty were coated with G-coat plus (a nano-filler coating) and the rest with petroleum jelly. Thirty samples of both protective coating agents were randomly divided into six groups of five specimens and conditioned in citric acid solutions of differing pH (pH 2, 3, 4, 5, 6 & 7). Each specimen was kept in citric acid for three hours a day, and the rest of time stored in salivary substitute. This procedure was repeated for 8 days. After conditioning, the surface roughness (Ra, μm) of each specimen was measured using a surface profilometer (Taylor & Habson, UK). Data was analyzed using one-way analysis of variance (ANOVA) and Tukey's HSD test at a significance level of 0.05. The surface textures of all the tested glass ionomer restorative materials protected with G-coat plus were not significantly affected by acids at low pH. The surface textures of all the tested glass ionomer restorative materials protected with petroleum jelly coating were significantly affected by acids at low pH. The effects of pH on the surface texture of glass ionomer restoratives are material dependent. Among all the materials tested the surface texture of Type II GIC (Group I) revealed marked deterioration when conditioned in solutions of low pH and was statistically significant. Hence, a protective coating either with G-coat plus or with light polymerized low viscosity unfilled resin adhesives is mandatory for all the glass ionomer restorations to increase the wear resistance of the restorative materials.

  15. Impact of Gastric Acid Induced Surface Changes on Mechanical Behavior and Optical Characteristics of Dental Ceramics.

    Science.gov (United States)

    Kulkarni, Aditi; Rothrock, James; Thompson, Jeffery

    2018-01-14

    To test the impact of exposure to artificial gastric acid combined with toothbrush abrasion on the properties of dental ceramics. Earlier research has indicated that immersion in artificial gastric acid has caused increased surface roughness of dental ceramics; however, the combined effects of acid immersion and toothbrush abrasion and the impact of increased surface roughness on mechanical strength and optical properties have not been studied. Three commercially available ceramics were chosen for this study: feldspathic porcelain, lithium disilicate glass-ceramic, and monolithic zirconium oxide. The specimens (10 × 1 mm discs) were cut, thermally treated as required, and polished. Each material was divided into four groups (n = 8 per group): control (no exposure), acid only, brush only, acid + brush. The specimens were immersed in artificial gastric acid (50 ml of 0.2% [w/v] sodium chloride in 0.7% [v/v] hydrochloric acid mixed with 0.16 g of pepsin powder, pH = 2) for 2 minutes and rinsed with deionized water for 2 minutes. The procedure was repeated 6 times/day × 9 days, and specimens were stored in deionized water at 37°C. Toothbrush abrasion was performed using an ISO/ADA design brushing machine for 100 cycles/day × 9 days. The acid + brush group received both treatments. Specimens were examined under SEM and an optical microscope for morphological changes. Color and translucency were measured using spectrophotometer CIELAB coordinates (L*, a*, b*). Surface gloss was measured using a gloss meter. Surface roughness was measured using a stylus profilometer. Biaxial flexural strength was measured using a mechanical testing machine. The data were analyzed by one-way ANOVA followed by Tukey's HSD post hoc test (p gloss, and surface roughness for porcelain and e.max specimens. No statistically significant changes were found for any properties of zirconia specimens. The acid treatment affected the surface roughness, color, and gloss of porcelain and e

  16. Detecting Local Ligand-Binding Site Similarity in Non-Homologous Proteins by Surface Patch Comparison

    Science.gov (United States)

    Sael, Lee; Kihara, Daisuke

    2012-01-01

    Functional elucidation of proteins is one of the essential tasks in biology. Function of a protein, specifically, small ligand molecules that bind to a protein, can be predicted by finding similar local surface regions in binding sites of known proteins. Here, we developed an alignment free local surface comparison method for predicting a ligand molecule which binds to a query protein. The algorithm, named Patch-Surfer, represents a binding pocket as a combination of segmented surface patches, each of which is characterized by its geometrical shape, the electrostatic potential, the hydrophobicity, and the concaveness. Representing a pocket by a set of patches is effective to absorb difference of global pocket shape while capturing local similarity of pockets. The shape and the physicochemical properties of surface patches are represented using the 3D Zernike descriptor, which is a series expansion of mathematical 3D function. Two pockets are compared using a modified weighted bipartite matching algorithm, which matches similar patches from the two pockets. Patch-Surfer was benchmarked on three datasets, which consist in total of 390 proteins that bind to one of 21 ligands. Patch-Surfer showed superior performance to existing methods including a global pocket comparison method, Pocket-Surfer, which we have previously introduced. Particularly, as intended, the accuracy showed large improvement for flexible ligand molecules, which bind to pockets in different conformations. PMID:22275074

  17. Detecting local ligand-binding site similarity in nonhomologous proteins by surface patch comparison.

    Science.gov (United States)

    Sael, Lee; Kihara, Daisuke

    2012-04-01

    Functional elucidation of proteins is one of the essential tasks in biology. Function of a protein, specifically, small ligand molecules that bind to a protein, can be predicted by finding similar local surface regions in binding sites of known proteins. Here, we developed an alignment free local surface comparison method for predicting a ligand molecule which binds to a query protein. The algorithm, named Patch-Surfer, represents a binding pocket as a combination of segmented surface patches, each of which is characterized by its geometrical shape, the electrostatic potential, the hydrophobicity, and the concaveness. Representing a pocket by a set of patches is effective to absorb difference of global pocket shape while capturing local similarity of pockets. The shape and the physicochemical properties of surface patches are represented using the 3D Zernike descriptor, which is a series expansion of mathematical 3D function. Two pockets are compared using a modified weighted bipartite matching algorithm, which matches similar patches from the two pockets. Patch-Surfer was benchmarked on three datasets, which consist in total of 390 proteins that bind to one of 21 ligands. Patch-Surfer showed superior performance to existing methods including a global pocket comparison method, Pocket-Surfer, which we have previously introduced. Particularly, as intended, the accuracy showed large improvement for flexible ligand molecules, which bind to pockets in different conformations. Copyright © 2011 Wiley Periodicals, Inc.

  18. Distribution of 137Cs in the Surface Soil of Serpong Nuclear Site

    International Nuclear Information System (INIS)

    Lubis, E.

    2011-01-01

    The distribution of 137 Cs in the surface soil layer of Serpong Nuclear Site (SNS) was investigated by field sampling. The Objectives of the investigation is finding the profile of 137 Cs distribution in the surface soil and the T f value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the 137 Cs activity in surface soil of SNS is 0.80 ± 0.29 Bq/kg, much lower than in the Antarctic. The contribution value of 137 Cs from the operation of G.A. Siwabessy Reactor until now is undetectable. The T f of 137 Cs from surface soil to Panisetum Purpureum, Setaria Spha Celata and Imperata Cylindrica grasses were 0.71 ± 0.14, 0.84 ± 0.27 and 0.81 ± 0.11 respectively. The results show that value of the transfer factor of 137 Cs varies between cultivated and uncultivated soil and also with the soils with thick humus. (author)

  19. Distribution of {sup 137}Cs in the Surface Soil of Serpong Nuclear Site

    Energy Technology Data Exchange (ETDEWEB)

    Lubis, E., E-mail: erlub@batan.go.id [Center for Radioactive Waste Technology, National Nuclear Energy Agency, Serpong (Indonesia)

    2011-08-15

    The distribution of {sup 137}Cs in the surface soil layer of Serpong Nuclear Site (SNS) was investigated by field sampling. The Objectives of the investigation is finding the profile of {sup 137}Cs distribution in the surface soil and the T{sub f} value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the {sup 137}Cs activity in surface soil of SNS is 0.80 {+-} 0.29 Bq/kg, much lower than in the Antarctic. The contribution value of {sup 137}Cs from the operation of G.A. Siwabessy Reactor until now is undetectable. The T{sub f} of {sup 137}Cs from surface soil to Panisetum Purpureum, Setaria Spha Celata and Imperata Cylindrica grasses were 0.71 {+-} 0.14, 0.84 {+-} 0.27 and 0.81 {+-} 0.11 respectively. The results show that value of the transfer factor of {sup 137}Cs varies between cultivated and uncultivated soil and also with the soils with thick humus. (author)

  20. Distribution of 137Cs In the Surface Soil of Serpong Nuclear Site

    Directory of Open Access Journals (Sweden)

    E. Lubis

    2011-08-01

    Full Text Available The distribution of 137Cs in the surface soil layer of Serpong Nuclear Site (SNS was investigated by field sampling. The Objectives of the investigation is finding the profile of 137Cs distribution in the surface soil and the Tf value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the 137Cs activity in surface soil of SNS is 0.80 ± 0,29 Bq/kg, much lower than in the Antarctic. The contribution value of 137Cs from the operation of G.A.Siwabessy Reactor until now is undetectable. The Tf of 137Cs from surface soil to Panisetum Purpureum, Setaria Spha Celata and Imperata Cylindrica grasses were 0.71 ± 0.14, 0.84 ± 0.27 and 0.81 ± 0.11 respectively. The results show that value of the transfer factor of 137Cs varies between cultivated and uncultivated soil and also with the soils with thick humus

  1. Grain boundaries at the surface of consolidated MgO nanocrystals and acid-base functionality.

    Science.gov (United States)

    Vingurt, Dima; Fuks, David; Landau, Miron V; Vidruk, Roxana; Herskowitz, Moti

    2013-09-21

    The increase of the surface basicity-acidity of MgO material by factors of 1.8-3.0 due to consolidation of its nanocrystals was demonstrated by the indicator titration. It was shown that the parallel increase of surface acidity and basicity is attributed to the formation of grain boundaries (GB) after MgO aerogel densification. A simple model predicting the increase of surface acidity-basicity of MgO that correlates with the results of direct measurements was proposed. The model is based on the study of the fine atomic structure at GB surface areas in consolidated MgO nanocrystals in the framework of Density Functional Theory. It is found that the displacements of coordinatively unsaturated surface ions near the GB are significant at the distances ~3-4 atomic layers from the geometrical contact plane between nanocrystals. The detailed analysis of atomic positions inside GB demonstrated the coordination deficiency of surface atoms at the GB areas leading to the formation of stretched bonds and to creation of low coordinated surface ions due to splitting of coordination numbers of surface atoms belonging to GB areas. Density of states for electrons shows the existence of additional states in the band gap close to the bottom of the conduction band. The adsorption energy of CO2 molecules atop oxygen atoms exposed at surface GB areas is of the same order of magnitude as that reported for oxygen atoms at crystallographic edges and corners of MgO crystals. It provides additional options for bonding of molecules at the surface of nanocrystalline MgO increasing the adsorption capacity and catalytic activity.

  2. Effects of structure of fatty acid collectors on the adsorption of fluorapatite (0 0 1) surface: A first-principles calculations

    Science.gov (United States)

    Xie, Jun; Li, Xianhai; Mao, Song; Li, Longjiang; Ke, Baolin; Zhang, Qin

    2018-06-01

    Effects of carbon chain length, carbon chain isomerism, Cdbnd C double bonds number on fatty acid adsorption on FAP (0 0 1) surface have been investigated based on DFT. The results revealed that fatty acid collector can form stable adsorption configuration at Ca1 (surf) site. Chemical adsorption was formed between O (mole) of fatty acid collector and the Ca1 (surf) of fluorapatite (0 0 1) surface; hydrogen bond adsorption was formed between the H (mole) of fatty acid and the O (surf) of-[PO4]- of FAP (0 0 1) surface. Fatty acid collectors and FAP (0 0 1) surface are bonding by means of the hybridization of O (mole) 2p and Ca (surf) 4d orbitals, H (mole) 1s and O (surf) 2p orbital. The analysis of adsorption energy, DOS, electron density, Mulliken charge population and Mulliken bond population revealed that with the carbon chain growing within certain limits, the absolute value of the adsorption energy and the overlapping area between the DOS curve of O (mole) and Ca (surf) was greater, while that of H (mole) 1s and O (surf) 2p basically remained unchanged. As Cdbnd C double bonds of fatty acids increased within certain limits, the adsorption energy and the overlapping area between the state density curve of O (mole) and Ca (surf), H (mole) and O (surf) basically remained unchanged. The substituent groups of fatty acid changed, the absolute value of the adsorption energy and the overlapping area between the state density curve had a major change. The influence of fatty acids adsorption on FAP (0 0 1) surface depends mainly on the interaction between O (mole) and Ca (surf).

  3. Characterization of a viral phosphoprotein binding site on the surface of the respiratory syncytial nucleoprotein.

    Science.gov (United States)

    Galloux, Marie; Tarus, Bogdan; Blazevic, Ilfad; Fix, Jenna; Duquerroy, Stéphane; Eléouët, Jean-François

    2012-08-01

    The human respiratory syncytial virus (HRSV) genome is composed of a negative-sense single-stranded RNA that is tightly associated with the nucleoprotein (N). This ribonucleoprotein (RNP) complex is the template for replication and transcription by the viral RNA-dependent RNA polymerase. RNP recognition by the viral polymerase involves a specific interaction between the C-terminal domain of the phosphoprotein (P) (P(CTD)) and N. However, the P binding region on N remains to be identified. In this study, glutathione S-transferase (GST) pulldown assays were used to identify the N-terminal core domain of HRSV N (N(NTD)) as a P binding domain. A biochemical characterization of the P(CTD) and molecular modeling of the N(NTD) allowed us to define four potential candidate pockets on N (pocket I [PI] to PIV) as hydrophobic sites surrounded by positively charged regions, which could constitute sites complementary to the P(CTD) interaction domain. The role of selected amino acids in the recognition of the N-RNA complex by P was first screened for by site-directed mutagenesis using a polymerase activity assay, based on an HRSV minigenome containing a luciferase reporter gene. When changed to Ala, most of the residues of PI were found to be critical for viral RNA synthesis, with the R132A mutant having the strongest effect. These mutations also reduced or abolished in vitro and in vivo P-N interactions, as determined by GST pulldown and immunoprecipitation experiments. The pocket formed by these residues is critical for P binding to the N-RNA complex, is specific for pneumovirus N proteins, and is clearly distinct from the P binding sites identified so far for other nonsegmented negative-strand viruses.

  4. Volcanic Surface Deformation in Dominica From GPS Geodesy: Results From the 2007 NSF- REU Site

    Science.gov (United States)

    Murphy, R.; James, S.; Styron, R. H.; Turner, H. L.; Ashlock, A.; Cavness, C.; Collier, X.; Fauria, K.; Feinstein, R.; Staisch, L.; Williams, B.; Mattioli, G. S.; Jansma, P. E.; Cothren, J.

    2007-12-01

    GPS measurements have been collected on the island of Dominica in the Lesser Antilles between 2001 and 2007, with five month-long campaigns completed in June of each year supported in part by a NSF REU Site award for the past two years. All GPS data were collected using dual-frequency, code-phase receivers and geodetic-quality antenna, primarily choke rings. Three consecutive 24 hr observation days were normally obtained for each site. Precise station positions were estimated with GIPSY-OASISII using an absolute point positioning strategy and final, precise orbits, clocks, earth orientation parameters, and x-files. All position estimates were updated to ITRF05 and a revised Caribbean Euler pole was used to place our observations in a CAR-fixed frame. Time series were created to determine the velocity of each station. Forward and inverse elastic half-space models with planar (i.e. dike) and Mogi (i.e. point) sources were investigated. Inverse modeling was completed using a downhill simplex method of function minimization. Selected site velocities were used to create appropriate models for specific regions of Dominica, which correspond to known centers of pre-historic volcanic or recent shallow, seismic activity. Because of the current distribution of GPS sites with robust velocity estimates, we limit our models to possible magmatic activity in the northern, proximal to the volcanic centers of Morne Diablotins and Morne aux Diables, and southern, proximal to volcanic centers of Soufriere and Morne Plat Pays, regions of the island. Surface deformation data from the northernmost sites may be fit with the development of a several km-long dike trending approximately northeast- southwest. Activity in the southern volcanic centers is best modeled by an expanding point source at approximately 1 km depth.

  5. Acid-base behavior of the gaspeite (NiCO3(s)) surface in NaCl solutions.

    Science.gov (United States)

    Villegas-Jiménez, Adrián; Mucci, Alfonso; Pokrovsky, Oleg S; Schott, Jacques

    2010-08-03

    Gaspeite is a low reactivity, rhombohedral carbonate mineral and a suitable surrogate to investigate the surface properties of other more ubiquitous carbonate minerals, such as calcite, in aqueous solutions. In this study, the acid-base properties of the gaspeite surface were investigated over a pH range of 5 to 10 in NaCl solutions (0.001, 0.01, and 0.1 M) at near ambient conditions (25 +/- 3 degrees C and 1 atm) by means of conventional acidimetric and alkalimetric titration techniques and microelectrophoresis. Over the entire experimental pH range, surface protonation and electrokinetic mobility are strongly affected by the background electrolyte, leading to a significant decrease of the pH of zero net proton charge (PZNPC) and the pH of isoelectric point (pH(iep)) at increasing NaCl concentrations. This challenges the conventional idea that carbonate mineral surfaces are chemically inert to background electrolyte ions. Multiple sets of surface complexation reactions (i.e., ionization and ion adsorption) were formulated within the framework of three electrostatic models (CCM, BSM, and TLM) and their ability to simulate proton adsorption and electrokinetic data was evaluated. A one-site, 3-pK, constant capacitance surface complexation model (SCM) reproduces the proton adsorption data at all ionic strengths and qualitatively predicts the electrokinetic behavior of gaspeite suspensions. Nevertheless, the strong ionic strength dependence exhibited by the optimized SCM parameters reveals that the influence of the background electrolyte on the surface reactivity of gaspeite is not fully accounted for by conventional electrostatic and surface complexation models and suggests that future refinements to the underlying theories are warranted.

  6. Plasma surface tantalum alloying on titanium and its corrosion behavior in sulfuric acid and hydrochloric acid

    Science.gov (United States)

    Wei, D. B.; Chen, X. H.; Zhang, P. Z.; Ding, F.; Li, F. K.; Yao, Z. J.

    2018-05-01

    An anti-corrosion Ti-Ta alloy coating was prepared on pure titanium surface by double glow plasma surface alloying technology. Electrochemical corrosion test was applied to test the anti-corrosion property of Ti-Ta alloy layer. The microstructure and the phase composition of Ti-Ta alloy coating were detected before and after corrosion process by means of scanning electron microscope (SEM), X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS). The results showed that the Ta-Ti alloy layer has a thickness of about 13-15 μm, which is very dense without obvious defects such as pores or cracks. The alloy layer is composed mainly of β-Ta and α-Ti. The Ta alloy layer improves the anti-corrosion property of pure titanium. A denser and more durable TiO2 formed on the surface Ta-Ti alloy layer after immersing in strong corrosive media may account for the excellent corrosion resistant.

  7. Seismic surface wave tomography of waste sites. 1997 annual progress report

    International Nuclear Information System (INIS)

    Long, T.L.

    1997-01-01

    'The objective of the Seismic Surface Wave Tomography of Waste Sites is to develop a robust technique for field acquisition and analysis of surface wave data for the interpretation of shallow structures, such as those associated with the burial of wastes. The analysis technique is to be developed and tested on an existing set of seismic data covering the K-901 burial site at the East Tennessee Technology Park. Also, a portable prototype for a field acquisition system will be designed and developed to obtain additional data for analysis and testing of the technique. The K-901 data have been examined and a preliminary Single Valued Decomposition inversion has been obtained. The preliminary data indicates a need for additional seismic data to ground-truth the inversion. The originally proposed gravity data acquisition has been dropped because sufficient gravity data are now available for a preliminary analysis and because the seismic data are considered more critical to the interpretation. The proposed prototype for the portable acquisition and analysis system was developed during the first year and will be used in part of the acquisition of additional seismic data.'

  8. Sialic acid-triggered macroscopic properties switching on a smart polymer surface

    Science.gov (United States)

    Xiong, Yuting; Li, Minmin; Wang, Hongxi; Qing, Guangyan; Sun, Taolei

    2018-01-01

    Constructing smart surfaces with responsive polymers capable of dynamically and reversibly changing their chemical and physical properties by responding to the recognition of biomolecules remains a challenging task. And, the key to achieving this purpose relies on the design of polymers to precisely interact with the target molecule and successfully transform the interaction signal into tunable macroscopic properties, further achieve special bio-functions. Herein, inspired by carbohydrate-carbohydrate interaction (CCI) in life system, we developed a three-component copolymer poly(NIPAAm-co-PT-co-Glc) bearing a binding unit glucose (Glc) capable of recognizing sialic acid, a type of important molecular targets for cancer diagnosis and therapy, and reported the sialic acid triggered macroscopic properties switching on this smart polymer surface. Detailed mechanism studies indicated that multiple hydrogen bonding interactions between Glc unit and Neu5Ac destroyed the initial hydrogen bond network of the copolymer, leading to a reversible "contraction-to-swelling" conformational transition of the copolymer chains, accompanied with distinct macroscopic property switching (i.e., surface wettability, morphology, stiffness) of the copolymer film. And these features enabled this copolymer to selectively capture sialic acid-containing glycopeptides from complex protein samples. This work provides an inspiration for the design of novel smart polymeric materials with sensitive responsiveness to sialic acid, which would promote the development of sialic acid-specific bio-devices and drug delivery systems.

  9. Seismic surface-wave tomography of waste sites. 1998 annual progress report

    International Nuclear Information System (INIS)

    Long, T.L.

    1998-01-01

    'The objective of the Seismic Surface Wave Tomography of Waste Sites is to develop a robust technique for field acquisition and analysis of surface wave data for the interpretation of shallow structures, such as those associated with the burial of wastes. The analysis technique is to be developed and tested on an existing set of seismic data covering the K-901 burial site at the East Tennessee Technology Park. Also, a portable prototype for a field acquisition system will be designed and developed to obtain additional data for analysis and testing of the technique. The portable analysis system will display an image representing the shear-wave velocity structure. The image would be developed in the field from successive data samples. As of May 1998, the author established compatibility with computer programs at Georgia Tech and computed a preliminary singular value decomposition solution for the K-901 data. The analysis included modeling of surface wave dispersion and analysis of velocity structure. The analysis demonstrated that the authors needed additional field data to verify the conclusions and provide independent confirmation of velocity structure. The K-901 site data were obtained with 8 Hz geophones. The frequencies below 8 Hz are strongly attenuated in such recording instruments and are difficult to analyze. In particular, group velocities can have multiple answers for a given frequency. Consequently, without a record of the low-frequency energy, the authors found it difficult to identify the portion of the dispersion curve responsible for the seismogram. In particular, it was difficult to determine if the reverse dispersion observed in the frequencies above 8 Hz was caused by a low velocity layer or caused by observing only the frequencies above the group velocity minimum. In either model, synthetic seismograms can be made to match the observed data for the higher frequencies. The contract for the proposed work was completed in December. The field work was

  10. Insights into the mechanism of acetic acid hydrogenation to ethanol on Cu(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Minhua; Yao, Rui; Jiang, Haoxi; Li, Guiming [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China); Chen, Yifei, E-mail: yfchen@tju.edu.cn [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China)

    2017-08-01

    Highlights: • The scission of C–OH bond of acetic acid is the rate-determined step in acetic acid hydrogenation to ethanol on Cu(111). • Acetic acid adsorption and reaction barrier of C–OH scission of acetic acid are factors related to acetic acid conversion. • Acetaldehyde adsorption and reaction barriers of O–H formation of C{sub 2}–oxygenates are factors related to ethanol selectivity. - Abstract: Density functional theory (DFT) calculations were employed to theoretically explain the reaction mechanism of acetic acid hydrogenation to ethanol on Cu catalyst. The activation barriers of key elementary steps and the adsorption configurations of key intermediates involved in acetic acid hydrogenation on Cu(111) surface were investigated. The results indicated that the direct dissociation of acetic acid to acetyl (CH{sub 3}COOH → CH{sub 3}CO + OH) is the rate-determined step. The activation barrier of acetic acid scission to acetyl and the adsorption energy of acetic acid are two descriptors which could determine the conversion of acetic acid. The descriptors might have effects on the ethanol selectivity including: the adsorption energy of acetaldehyde and the activation barriers for O−H bond formation of C{sub 2}-oxygenates (CH{sub 3}CO + H → CH{sub 3}COH, CH{sub 3}CHO + H → CH{sub 3}CHOH and CH{sub 3}CH{sub 2}O + H → CH{sub 3}CH{sub 2}OH). These proposed descriptors could be used as references to design new Cu-based catalysts that have excellent catalytic performance.

  11. Impact of acid mine drainages on surficial waters of an abandoned mining site.

    Science.gov (United States)

    García-Lorenzo, M L; Marimón, J; Navarro-Hervás, M C; Pérez-Sirvent, C; Martínez-Sánchez, M J; Molina-Ruiz, José

    2016-04-01

    Weathering of sulphide minerals produces a great variety of efflorescences of soluble sulphate salts. These minerals play an important role for environmental pollution, since they can be either a sink or a source for acidity and trace elements. This paper aims to characterise surface waters affected by mining activities in the Sierra Minera of Cartagena-La Union (SE, Spain). Water samples were analysed for trace metals (Zn, Cd, Pb, Cu, As and Fe), major ions (Na(+), K(+), Ca(2+) and Mg(2+)) and anions (F(-), Cl(-), NO3 (-), CO3 (2-), SO4 (2-)) concentrations and were submitted to an "evaporation-precipitation" experiment that consisted in identifying the salts resulting from the evaporation of the water aliquots sampled onsite. Mineralogy of the salts was studied using X-ray diffraction and compared with the results of calculations using VISUAL MINTEQ. The study area is heavily polluted as a result of historical mining and processing activities that has produced large amount of wastes characterised by a high trace elements content, acidic pH and containing minerals resulting from the supergene alteration of the raw materials. The mineralogical study of the efflorescences obtained from waters shows that magnesium, zinc, iron and aluminium sulphates predominate in the acid mine drainage precipitates. Minerals of the hexahydrite group have been quantified together with minerals of the rozenite group, alunogen and other phases such as coquimbite and copiapite. Calcium sulphates correspond exclusively to gypsum. In a semiarid climate, such as that of the study area, these minerals contribute to understand the response of the system to episodic rainfall events. MINTEQ model could be used for the analysis of waters affected by mining activities but simulation of evaporation gives more realistic results considering that MINTEQ does not consider soluble hydrated salts.

  12. Base adsorption calorimetry for characterising surface acidity: a comparison between pulse flow and conventional ''static'' techniques

    International Nuclear Information System (INIS)

    Felix, S.P.; Savill-Jowitt, C.; Brown, D.R.

    2005-01-01

    A pulsed flow adsorption microcalorimeter (pulse-FMC) has been developed by modifying a Setaram 111. It is tested in comparison with a conventional pulsed static adsorption microcalorimeter (pulse-SMC) for characterising surface acidity of solid acid catalysts. Small pulses of 1% ammonia in helium are delivered to an activated catalyst sample and its surface acidity is differentially profiled in terms of the molar enthalpy of ammonia adsorption (ΔH ads o ) using a combination of differential scanning calorimeter (DSC) and a downstream thermal conductivity detector (TCD). The pulsing action and its sequences are controlled by in-house developed software and the TCD output also is logged into a PC. Thus, the pulse-FMC is fully automated. Two sulfonated polystyrene resin-type catalysts, Amberlyst 15 and Amberlyst 35, a zeolite of the type H + -ZSM-5 (CT 410) and an acid activated clay (Fulcat 220) are characterised at appropriate temperatures using both the new technique and the conventional static base adsorption method. ΔH ads o versus surface coverage profiles of all the four catalysts obtained from both pulse-FMC and the conventional method are found to be comparable. Results are interpreted in terms of the extent to which NH 3 adsorption on the catalysts surface is under thermodynamic control in the two methods

  13. Interaction of multi-walled carbon nanotubes with perfluorinated sulfonic acid ionomers and surface treatment studies

    DEFF Research Database (Denmark)

    Andersen, Shuang Ma; Dhiman, Rajnish; Borghei, Maryam

    2014-01-01

    The interaction between high surface area nano-carbon catalyst supports for proton exchange membrane fuel cells (PEMFCs) and perfluorinated sulfonic acid (Nafion®) ionomer was studied 19 fluorine nuclear magnetic resonance spectroscopy (19F-NMR). The method was developed and improved for more...

  14. MUTAGENICITY AND DISINFECTION BY-PRODUCTS IN SURFACE DRINKING WATER DISINFECTED WITH PERACETIC ACID

    Science.gov (United States)

    The aims of this research were to study the influence of peracetic acid (PAA) on the formation of mutagens in surface waters used for human consumption and to assess its potential application for the disinfection of drinking water. The results obtained using PAA were compared to ...

  15. Simultaneous saccharification and ethanol fermentation of oxalic acid pretreated corncob assessed with response surface methodology

    Science.gov (United States)

    Jae-Won Lee; Rita C.L.B. Rodrigues; Thomas W. Jeffries

    2009-01-01

    Response surface methodology was used to evaluate optimal time, temperature and oxalic acid concentration for simultaneous saccharification and fermentation (SSF) of corncob particles by Pichia stipitis CBS 6054. Fifteen different conditions for pretreatment were examined in a 23 full factorial design with six axial points. Temperatures ranged from 132 to 180º...

  16. The protonation state of small carboxylic acids at the water surface from photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Ottosson, N.; Wernersson, Erik; Söderström, J.; Pokapanich, W.; Kaufmann, S.; Svensson, S.; Persson, I.; Öhrwall, G.; Björneholm, O.

    2011-01-01

    Roč. 13, č. 26 (2011), s. 12261-12267 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z40550506 Keywords : water surface * carboxylic acids * photoelectron spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.573, year: 2011

  17. Surface and subsurface cleanup protocol for radionuclides, Gunnison, Colorado, UMTRA project processing site: Final

    International Nuclear Information System (INIS)

    1994-01-01

    Thorium 230 (Th-230) at the Gunnison, Colorado processing site will require remediation, however, a seasonally fluctuating groundwater table at the site significantly complicates conventional remedial action with respect to cleanup. Therefore, to effectively remediate the site with respect to Radium 226 (Ra-226) and Th-230, the following supplemental standard is proposed: In situ Ra-26 will be remediated to the EPA soil cleanup standards independent of groundwater considerations. In situ Th-230 concentrations will be remediated in the region above the encountered water table so the 1000-year projected Ra-226 concentration complies with the EPA soil cleanup concentration limits. If elevated Th-230 persists to the water table, an additional foot of excavation will be performed and the grid will be backfilled. Excavated grids will be backfilled to the final remedial action grade with clean cobbly soil. Final grid verification that is required below the water table will be performed by extracting and analyzing a single bulk soil sample with the bucket of a backhoe. Modeled surface radon flux values will be estimated and documented. A recommendation will be made that land records should be annotated to identify the presence of residual Th-230

  18. A decade of monitoring at Swiss Long-Term Forest Ecosystem Research (LWF) sites: can we observe trends in atmospheric acid deposition and in soil solution acidity?

    Science.gov (United States)

    Pannatier, Elisabeth Graf; Thimonier, Anne; Schmitt, Maria; Walthert, Lorenz; Waldner, Peter

    2011-03-01

    Trends in atmospheric acid deposition and in soil solution acidity from 1995 or later until 2007 were investigated at several forest sites throughout Switzerland to assess the effects of air pollution abatements on deposition and the response of the soil solution chemistry. Deposition of the major elements was estimated from throughfall and bulk deposition measurements at nine sites of the Swiss Long-Term Forest Ecosystem Research network (LWF) since 1995 or later. Soil solution was measured at seven plots at four soil depths since 1998 or later. Trends in the molar ratio of base cations to aluminum (BC/Al) in soil solutions and in concentrations and fluxes of inorganic N (NO(3)-N + NH(4)-N), sulfate (SO(4)-S), and base cations (BC) were used to detect changes in soil solution chemistry. Acid deposition significantly decreased at three out of the nine study sites due to a decrease in total N deposition. Total SO(4)-S deposition decreased at the nine sites, but due to the relatively low amount of SO(4)-S load compared to N deposition, it did not contribute to decrease acid deposition significantly. No trend in total BC deposition was detected. In the soil solution, no trend in concentrations and fluxes of BC, SO(4)-S, and inorganic N were found at most soil depths at five out of the seven sites. This suggests that the soil solution reacted very little to the changes in atmospheric deposition. A stronger reduction in base cations compared to aluminum was detected at two sites, which might indicate that acidification of the soil solution was proceeding faster at these sites.

  19. Acid base properties of a goethite surface model: A theoretical view

    Science.gov (United States)

    Aquino, Adelia J. A.; Tunega, Daniel; Haberhauer, Georg; Gerzabek, Martin H.; Lischka, Hans

    2008-08-01

    Density functional theory is used to compute the effect of protonation, deprotonation, and dehydroxylation of different reactive sites of a goethite surface modeled as a cluster containing six iron atoms constructed from a slab model of the (1 1 0) goethite surface. Solvent effects were treated at two different levels: (i) by inclusion of up to six water molecules explicitly into the quantum chemical calculation and (ii) by using additionally a continuum solvation model for the long-range interactions. Systematic studies were made in order to test the limit of the fully hydrated cluster surfaces by a monomolecular water layer. The main finding is that from the three different types of surface hydroxyl groups (hydroxo, μ-hydroxo, and μ 3-hydroxo), the hydroxo group is most active for protonation whereas μ- and μ 3-hydroxo sites undergo deprotonation more easily. Proton affinity constants (p Ka values) were computed from appropriate protonation/deprotonation reactions for all sites investigated and compared to results obtained from the multisite complexation model (MUSIC). The approach used was validated for the consecutive deprotonation reactions of the [Fe(H 2O) 6] 3+ complex in solution and good agreement between calculated and experimental p Ka values was found. The computed p Ka for all sites of the modeled goethite surface were used in the prediction of the pristine point of zero charge, pH PPZN. The obtained value of 9.1 fits well with published experimental values of 7.0-9.5.

  20. Substantiation of rate setting of surface contamination with amino acids, labelled with tritium

    International Nuclear Information System (INIS)

    Zhesko, T.V.

    1987-01-01

    For rate setting of surface contamination with the wide-spread biogenic tritium compounds-protein predecessors-experimental study of skin absorption and skin deposit of amino acids labelled with tritium is carried out on rats. While extrapolating data to people and calculating tolerable skin contamination with 3 H- amino acids, it is supposed that people arm skin, 100-500 cm 2 , has no defects and that the skin surface decontamination after radionuclide contact is carried out with a preparation, efficiency of which is not less than 97%. The value of tolerable skin absorption of tritium amino acids, being 110-550 MBq/year or 4.8 kBq/cm 2 per one working day, is calculated

  1. A class frequency mixture model that adjusts for site-specific amino acid frequencies and improves inference of protein phylogeny

    Directory of Open Access Journals (Sweden)

    Li Karen

    2008-12-01

    Full Text Available Abstract Background Widely used substitution models for proteins, such as the Jones-Taylor-Thornton (JTT or Whelan and Goldman (WAG models, are based on empirical amino acid interchange matrices estimated from databases of protein alignments that incorporate the average amino acid frequencies of the data set under examination (e.g JTT + F. Variation in the evolutionary process between sites is typically modelled by a rates-across-sites distribution such as the gamma (Γ distribution. However, sites in proteins also vary in the kinds of amino acid interchanges that are favoured, a feature that is ignored by standard empirical substitution matrices. Here we examine the degree to which the pattern of evolution at sites differs from that expected based on empirical amino acid substitution models and evaluate the impact of these deviations on phylogenetic estimation. Results We analyzed 21 large protein alignments with two statistical tests designed to detect deviation of site-specific amino acid distributions from data simulated under the standard empirical substitution model: JTT+ F + Γ. We found that the number of states at a given site is, on average, smaller and the frequencies of these states are less uniform than expected based on a JTT + F + Γ substitution model. With a four-taxon example, we show that phylogenetic estimation under the JTT + F + Γ model is seriously biased by a long-branch attraction artefact if the data are simulated under a model utilizing the observed site-specific amino acid frequencies from an alignment. Principal components analyses indicate the existence of at least four major site-specific frequency classes in these 21 protein alignments. Using a mixture model with these four separate classes of site-specific state frequencies plus a fifth class of global frequencies (the JTT + cF + Γ model, significant improvements in model fit for real data sets can be achieved. This simple mixture model also reduces the long

  2. Acid Aging Effects on Surfaces of PTFE Gaskets Investigated by Thermal Analysis

    Directory of Open Access Journals (Sweden)

    C. Fragassa

    2016-12-01

    Full Text Available This paper investigates the effect of a prolonged acid attack on the surface of PTFE by Thermogravimetric Analysis (TGA and Differential Scanning Calorimetry (DSC. PTFE is very non-reactive, partly because of the strength of carbon–fluorine bonds and for its high crystallinity, and, as a consequence, it is often used in containers and pipework with reactive and corrosive chemicals. The PTFE under analysis is commercialized by two alternative producers in form of Teflon tapes. These tapes are adopted, as gaskets, in process plants where tires moulds are cleaned by acid solutions inside a multistage ultrasonic process. In this case, PTFE shows, in a relatively short operation time, inexplicably phenomena of surface degradation, which could be related, in general terms, to an acid attack. But, even considering the combined effect of ultrasonic waves, temperature, humidity and acid attack, the PTFE properties of resistance nominally exclude the risk of the extreme erosion phenomena as observed. The present experimental research aim at investigating this contradiction. A possible explanation could be related to the presence in the cleaning solution of unexpected fluorides, able to produce fluorinating agents and, thus, degrade carbon-fluorine bonds. Considering more the 300 chemical elements a tire compound consists in, it is really complex to preserve the original chemical composition of the cleaning solution. In this research PTFE samples have been treated with different mixtures of acids with the aim at investigating the different aging effects. The thermal analysis has permitted the experimental characterization of PTFE surface properties after acid attack, providing evidence of the degradation phenomena. In particular, the different acid treatments adopted for accelerating the aging of gaskets have highlighted the different behaviour of the PTFE matrix, but also differences between manufacturers.

  3. Impact of gastric acidic challenge on surface topography and optical properties of monolithic zirconia.

    Science.gov (United States)

    Sulaiman, Taiseer A; Abdulmajeed, Aous A; Shahramian, Khalil; Hupa, Leena; Donovan, Terrence E; Vallittu, Pekka; Närhi, Timo O

    2015-12-01

    To evaluate the surface topography and optical properties of monolithic zirconia after immersion in simulated gastric acid. Four partially stabilized (PSZ) and one fully stabilized (FSZ) zirconia materials were selected for the study: Prettau (PRT, Zirkonzahn), Zenostar (ZEN, Ivoclar), Bruxzir (BRX, Glidewell), Katana (KAT, Noritake) and FSZ Prettau Anterior (PRTA, Zirkonzahn). IPS e.max (Ivoclar) was used as a control. The specimens (10×10×1.2mm, n=5 per material) were cut, sintered, polished and cleaned before immersed in 5ml of simulated gastric acid solution (Hydrochloric acid (HCl) 0.06M, 0.113% solution in deionized distal water, pH 1.2) for 96h in a 37°C incubator. Specimens were weighed and examined for morphological changes under scanning electron microscope (SEM) coupled with energy dispersive X-ray spectroscopy (EDX). Surface roughness was evaluated by a confocal microscope. Surface gloss and translucency parameter (TP) values were determined by a reflection spectrophotometer before and after acid immersion. The data was analyzed by one-way ANOVA followed by Tukey's HSD post hoc test (pgloss of ZEN, PRTA and IPS e.max increased (p<0.05). Monolithic zirconia materials show some surface alterations in an acidic environment with minimum effect on their optical properties. Whether a smoother surface is in fact a sign of true corrosion resistance or is purely the result of an evenly progressive corrosive process is yet to be confirmed by further research. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  4. Surface conjugation of poly (dimethyl siloxane) with itaconic acid-based materials for antibacterial effects

    Science.gov (United States)

    Birajdar, Mallinath S.; Cho, Hyunjoo; Seo, Youngmin; Choi, Jonghoon; Park, Hansoo

    2018-04-01

    Poly (dimethyl siloxane) (PDMS) is widely used in various biomedical applications. However, the PDMS surface is known to cause bacterial adhesion and protein absorption issues due to its high hydrophobicity. Therefore, the development of antibacterial and anti-protein products is necessary to prevent these problems. In this study, to improve its antibacterial property and prevent protein adsorption, PDMS surfaces were conjugated with itaconic acid (IA) and poly (itaconic acid) (PIA) via a chemical method. Additionally, IA and PIA were physically blended with PDMS to compare the antibacterial properties of these materials with those of the chemically conjugated PDMS surfaces. The successful synthesis of the PIA polymer structure was confirmed by proton nuclear magnetic resonance (1H NMR) spectroscopy. The successful conjugation of IA and PIA on PDMS was confirmed by attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), water contact angle measurements, and microbicinchoninic acid (BCA) protein assay analyses. The PDMS surfaces functionalized with IA and PIA by the conjugation method better prevented protein adsorption than the bare PDMS. Therefore, these surface-conjugated PDMS can be used in various biomedical applications.

  5. Acids and alkali resistant sticky superhydrophobic surfaces by one-pot electropolymerization of perfluoroalkyl alkyl pyrrole.

    Science.gov (United States)

    Nicolas, Mael

    2010-03-15

    Over the past few years, electropolymerization of semifluorinated monomers like thiophene or pyrrole has been used as a gentle and effective method to generate, in one step, stable superhydrophobic surfaces. The synthetic route mostly involves the coupling reaction between a carboxylic acid and an alcohol, using a carboxy group-activated reagent and a catalyst. As a consequence, the electroformed surfaces present high liquid repellency due to the concomitant effect of roughness and low surface energy. Nevertheless, the ester connector can be cleaved under acidic and basic conditions, preventing its use under a range of environmental conditions. To overcome this drawback, a new perfluoroalkyl alkyl pyrrole has been synthesized, the fluorinated segment being connected to the electropolymerizable part via an alkyl chain, and electropolymerized, leading to surfaces that exhibit a static contact angle with water superior to 150 degrees and no sliding angle, over a wide pH range and with a long lifetime. This represents the first example of a pure conducting polymer surface with sticky superhydrophobicity not only in pure water but also in corrosive solutions such as acids and bases, giving rise to new prospects in practical applications. 2009 Elsevier Inc. All rights reserved.

  6. Surface and subsurface cleanup protocol for radionuclides Gunnison, Colorado, UMTRA Project Processing Site

    International Nuclear Information System (INIS)

    1994-05-01

    The supplemental standards provisions of Title 40, Code of Federal Regulations, Part 192 (40 CFR Part 192) require the cleanup of radionuclides other than radium-226 (Ra-226) to levels ''as low as reasonably achievable'' (ALARA), taking into account site-specific conditions, if sufficient quantities and concentrations are present to constitute a significant radiation hazard. In this context, thorium-230 (Th-230) at the Gunnison, Colorado, processing site will require remediation. However, a seasonally fluctuating groundwater table at the site significantly complicates conventional remedial action with respect to cleanup. Characterization data indicate that in the offpile areas, the removal of residual in situ bulk Ra-226 and Th-230 such that the 1000-year projected Ra-226 concentration (Ra-226 concentration in 1000 years due to the decay of in situ Ra-226 and the in-growth of Ra-226 from in situ Th-230) complies with the US Environmental Protection Agency (EPA) cleanup standard for in situ Ra-226 and the cleanup protocol for in situ Th-230 can be readily achieved using conventional excavation techniques for bulk contamination without encountering significant impacts due to groundwater. The EPA cleanup standard and criterion for Ra-226 and the 1000-year projected Ra-226 are 5 and 15 picocuries per gram (pCi/g) above background, respectively, averaged over 15-centimeter (cm) deep surface and subsurface intervals and 100-square-meter (m 2 ) grid areas. Significant differential migration of Th-230 relative to Ra-226 has occurred over 40 percent of the subpile area. To effectively remediate the site with respect to Ra-226 and Th-230, supplemental standard is proposed and discussed in this report

  7. Deriving surface soil moisture from reflected GNSS signal observations from a grassland site in southwestern France

    Science.gov (United States)

    Zhang, Sibo; Calvet, Jean-Christophe; Darrozes, José; Roussel, Nicolas; Frappart, Frédéric; Bouhours, Gilles

    2018-03-01

    This work assesses the estimation of surface volumetric soil moisture (VSM) using the global navigation satellite system interferometric reflectometry (GNSS-IR) technique. Year-round observations were acquired from a grassland site in southwestern France using an antenna consecutively placed at two contrasting heights above the ground surface (3.3 and 29.4 m). The VSM retrievals are compared with two independent reference datasets: in situ observations of soil moisture, and numerical simulations of soil moisture and vegetation biomass from the ISBA (Interactions between Soil, Biosphere and Atmosphere) land surface model. Scaled VSM estimates can be retrieved throughout the year removing vegetation effects by the separation of growth and senescence periods and by the filtering of the GNSS-IR observations that are most affected by vegetation. Antenna height has no significant impact on the quality of VSM estimates. Comparisons between the VSM GNSS-IR retrievals and the in situ VSM observations at a depth of 5 cm show good agreement (R2 = 0.86 and RMSE = 0.04 m3 m-3). It is shown that the signal is sensitive to the grass litter water content and that this effect triggers differences between VSM retrievals and in situ VSM observations at depths of 1 and 5 cm, especially during light rainfall events.

  8. Landing Site Selection and Surface Traverse Planning using the Lunar Mapping & Modeling Portal

    Science.gov (United States)

    Law, E.; Chang, G.; Bui, B.; Sadaqathullah, S.; Kim, R.; Dodge, K.; Malhotra, S.

    2013-12-01

    Introduction: The Lunar Mapping and Modeling Portal (LMMP), is a web-based Portal and a suite of interactive visualization and analysis tools for users to access mapped lunar data products (including image mosaics, digital elevation models, etc.) from past and current lunar missions (e.g., Lunar Reconnaissance Orbiter, Apollo, etc.), and to perform in-depth analyses to support lunar surface mission planning and system design for future lunar exploration and science missions. It has been widely used by many scientists mission planners, as well as educators and public outreach (e.g., Google Lunar XPRICE teams, RESOLVE project, museums etc.) This year, LMMP was used by the Lunar and Planetary Institute (LPI)'s Lunar Exploration internship program to perform lighting analysis and local hazard assessments, such as, slope, surface roughness and crater/boulder distribution to research landing sites and surface pathfinding and traversal. Our talk will include an overview of LMMP, a demonstration of the tools as well as a summary of the LPI Lunar Exploration summer interns' experience in using those tools.

  9. Radiological assessment of surface water quality around proposed uranium mining site in India.

    Science.gov (United States)

    Jha, S K; Lenka, P; Gothankar, S; Tripathi, R M; Puranik, V D; Khating, D T

    2009-06-01

    The gross alpha and gross beta activities were estimated for radiological assessment of surface water quality around the proposed uranium mining site Kylleng Pyndengsohiong Mawthabah (Domiasiat), West Khasi Hills District, Meghalaya situated in a high rainfall area (12,000mm) in India. 189 Surface water samples were collected over different seasons of the year from nine different locations covering around 100km(2). Gross beta activities were found to vary from 144 to 361mBq/L which is much below the prescribed WHO limit of 1000mBq/L for drinking water. Gross alpha activities varied from 61 to 127mBq/L. These values are much below the reported gross alpha values by other countries. In about 7% of the samples the alpha activities remain exceeded the WHO guideline limit of 100mBq/L. Surface water samples collected during the summer season of the year show higher activity whereas low activity was found from samples collected during monsoon season. Results show that all water sources are acceptable as drinking water for human consumption from the radiological point of view, the higher gross alpha concentrations in a few locations remains so only for short duration during the summer season.

  10. Deriving surface soil moisture from reflected GNSS signal observations from a grassland site in southwestern France

    Directory of Open Access Journals (Sweden)

    S. Zhang

    2018-03-01

    Full Text Available This work assesses the estimation of surface volumetric soil moisture (VSM using the global navigation satellite system interferometric reflectometry (GNSS-IR technique. Year-round observations were acquired from a grassland site in southwestern France using an antenna consecutively placed at two contrasting heights above the ground surface (3.3 and 29.4 m. The VSM retrievals are compared with two independent reference datasets: in situ observations of soil moisture, and numerical simulations of soil moisture and vegetation biomass from the ISBA (Interactions between Soil, Biosphere and Atmosphere land surface model. Scaled VSM estimates can be retrieved throughout the year removing vegetation effects by the separation of growth and senescence periods and by the filtering of the GNSS-IR observations that are most affected by vegetation. Antenna height has no significant impact on the quality of VSM estimates. Comparisons between the VSM GNSS-IR retrievals and the in situ VSM observations at a depth of 5 cm show good agreement (R2 =  0.86 and RMSE  =  0.04 m3 m−3. It is shown that the signal is sensitive to the grass litter water content and that this effect triggers differences between VSM retrievals and in situ VSM observations at depths of 1 and 5 cm, especially during light rainfall events.

  11. Radiological assessment of surface water quality around proposed uranium mining site in India

    International Nuclear Information System (INIS)

    Jha, S.K.; Lenka, P.; Gothankar, S.; Tripathi, R.M.; Puranik, V.D.; Khating, D.T.

    2009-01-01

    The gross alpha and gross beta activities were estimated for radiological assessment of surface water quality around the proposed uranium mining site Kylleng Pyndengsohiong Mawthabah (Domiasiat), West Khasi Hills District, Meghalaya situated in a high rainfall area (12,000 mm) in India. 189 Surface water samples were collected over different seasons of the year from nine different locations covering around 100 km 2 . Gross beta activities were found to vary from 144 to 361 mBq/L which is much below the prescribed WHO limit of 1000 mBq/L for drinking water. Gross alpha activities varied from 61 to 127 mBq/L. These values are much below the reported gross alpha values by other countries. In about 7% of the samples the alpha activities remain exceeded the WHO guideline limit of 100 mBq/L. Surface water samples collected during the summer season of the year show higher activity whereas low activity was found from samples collected during monsoon season. Results show that all water sources are acceptable as drinking water for human consumption from the radiological point of view, the higher gross alpha concentrations in a few locations remains so only for short duration during the summer season.

  12. Investigation of prototypal MOFs consisting of polyhedral cages with accessible Lewis-acid sites for quinoline synthesis.

    Science.gov (United States)

    Gao, Wen-Yang; Leng, Kunyue; Cash, Lindsay; Chrzanowski, Matthew; Stackhouse, Chavis A; Sun, Yinyong; Ma, Shengqian

    2015-03-21

    A series of prototypal metal-organic frameworks (MOFs) consisting of polyhedral cages with accessible Lewis-acid sites, have been systematically investigated for Friedländer annulation reaction, a straightforward approach to synthesizing quinoline and its derivatives. Amongst them MMCF-2 demonstrates significantly enhanced catalytic activity compared with the benchmark MOFs, HKUST-1 and MOF-505, as a result of a high-density of accessible Cu(II) Lewis acid sites and large window size in the cuboctahedral cage-based nanoreactor of MMCF-2.

  13. The determination of acid-base properties of polymer surfaces by XPS: Present status and future prospects

    International Nuclear Information System (INIS)

    Chehimi, M.M.; Delamar, M.; Shahidzadeh-Ahmadi, N.; Arefi-Khonsari, F.; Amouroux, J.; Watts, J.F.

    1996-01-01

    The use of the molecular probe technique in conjunction with X-ray photoelectron spectroscopy (XPS) for the assessment of acid-base properties of polymer surfaces is reviewed. The method is based on the determination of the concentration and chemical shifts of Lewis acids (bases) sorbed in polymers of basic (acidic) character. In the case of chloroform (Lewis acid) sorbed in polymers of Lewis basic character, C12p binding energy is linearly correlated with ΔH AB , the heat of acid-base complex formation chloroform-polymer. This relationship has been used to determine the acid-base properties of poly(phenylene oxide), a homopolymer, and ammonia plasma-treated polypropylene. This work shows that XPS can now indeed be used to quantitatively assess the acid-base properties of modified polymer surfaces and perhaps be extended to map acid-base properties of polymer surfaces at the micron or submicron scale. copyright 1996 American Institute of Physics

  14. Nucleolytic degradation of homologous and heterologous deoxyribonucleic acid molecules at the surface of competent pneumococci

    International Nuclear Information System (INIS)

    Seto, H.; Lopez, R.; Garrigan, O.; Tomasz, A.

    1975-01-01

    Competent pneumococci can catalyze the rapid and quantitative degradation of extracellular deoxyribonucleic acid (DNA) molecules through the activity of surface-located nucleases (endo- and, possibly, exonucleases as well). Both homologous and heterologous DNAs are degraded by a mechanism that seems to involve a cyclic process: (i) attachment of DNA to the cell surface followed by (ii) nucleolytic attack, and (iii) release to the medium. Processes (ii) and (iii) are both inhibited by ethylenediaminetetraacetate. Whereas surface nuclease activity is specific for competent cells, the bulk of this activity is not coupled to irreversible DNA uptake (deoxyribonuclease-resistant binding). Pneumococcal DNA treated with ultraviolet irradiation or nitrous acid (cross-linking) is selectively impaired in the ability to irreversibly bind to competent cells, whereas reversible binding is normal. (U.S.)

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

    Science.gov (United States)

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

    2015-04-01

    bacteria. Therefore the applicability of on-site enzymatic activity determination as a direct surrogate or proxy parameter for microbiological standard assays and quantification of fecal indicator bacteria (FIB) concentration could not be approved and further research in this field is necessary. Presently we conclude that rapid on-site detection of enzymatic activity is applicable for surface water monitoring and that it constitutes a complementary on-site monitoring parameter with high potential. Selection of the type of measured enzymatic activities has to be done on a catchment-specific basis and further work is needed to learn more about its detailed information characteristics in different habitats. The accomplishment of this method detecting continuous data of enzymatic activity in high temporal resolution caused by a target bacterial member is on the way of becoming a powerful tool for water quality monitoring, health related water quality- and early warning requirements.

  16. Acidic deposition: State of science and technology. Report 14. Methods for projecting future changes in surface water acid-base chemistry. Final report

    International Nuclear Information System (INIS)

    Thornton, K.W.; Marmorek, D.; Ryan, P.F.; Heltcher, K.; Robinson, D.

    1990-09-01

    The objectives of the report are to: critically evaluate methods for projecting future effects of acidic deposition on surface water acid-base chemistry; review and evaluate techniques and procedures for analyzing projection uncertainty; review procedures for estimating regional lake and stream population attributes; review the U.S. Environmental Protection Agency (EPA) Direct/Delayed Response Project (DDRP) methodology for projecting the effects of acidic deposition on future changes in surface water acid-base chemistry; and present the models, uncertainty estimators, population estimators, and proposed approach selected to project the effects of acidic deposition on future changes in surface water acid-base chemistry in the NAPAP 1990 Integrated Assessment and discuss the selection rationale

  17. Surface changes of poly-L-lactic acid due to annealing

    Science.gov (United States)

    Juřík, P.; Michaljaničová, I.; Slepička, P.; Kolskáa, Z.; Švorčík, V.

    2017-11-01

    Surface modifications are very important part of both current cutting-edge research and modern manufacturing. Our research is focused on poly-L-lactic acid, which is biocompatible and biodegradable polymer that offers applications in modern medicine. We observed morphological changes of the surface of metalized samples due to annealing and studied effect of modifications on total surface area and pore surface and volume. We observed that annealing of non-metalized samples had most pronounced effect up to the 70°C, after which all observed parameters dropped significantly. Metallization has changed behaviour of the samples significantly and resulted in generally lower surface area and porosity when compared to non-metalized samples.

  18. Heterologous surface display on lactic acid bacteria: non-GMO alternative?

    Science.gov (United States)

    Zadravec, Petra; Štrukelj, Borut; Berlec, Aleš

    2015-01-01

    Lactic acid bacteria (LAB) are food-grade hosts for surface display with potential applications in food and therapy. Alternative approaches to surface display on LAB would avoid the use of recombinant DNA technology and genetically-modified organism (GMO)-related regulatory requirements. Non-covalent surface display of proteins can be achieved by fusing them to various cell-wall binding domains, of which the Lysine motif domain (LysM) is particularly well studied. Fusion proteins have been isolated from recombinant bacteria or from their growth medium and displayed on unmodified bacteria, enabling heterologous surface display. This was demonstrated on non-viable cells devoid of protein content, termed bacteria-like particles, and on various species of genus Lactobacillus. Of the latter, Lactobacillus salivarius ATCC 11741 was recently shown to be particularly amenable for LysM-mediated display. Possible regulatory implications of heterologous surface display are discussed, particularly those relevant for the European Union.

  19. Surface display for metabolic engineering of industrially important acetic acid bacteria

    Directory of Open Access Journals (Sweden)

    Marshal Blank

    2018-04-01

    Full Text Available Acetic acid bacteria have unique metabolic characteristics that suit them for a variety of biotechnological applications. They possess an arsenal of membrane-bound dehydrogenases in the periplasmic space that are capable of regiospecific and enantioselective partial oxidations of sugars, alcohols, and polyols. The resulting products are deposited directly into the medium where they are easily recovered for use as pharmaceutical precursors, industrial chemicals, food additives, and consumer products. Expression of extracytoplasmic enzymes to augment the oxidative capabilities of acetic acid bacteria is desired but is challenging due to the already crowded inner membrane. To this end, an original surface display system was developed to express recombinant enzymes at the outer membrane of the model acetic acid bacterium Gluconobacter oxydans. Outer membrane porin F (OprF was used to deliver alkaline phosphatase (PhoA to the cell surface. Constitutive high-strength p264 and moderate-strength p452 promoters were used to direct expression of the surface display system. This system was demonstrated for biocatalysis in whole-cell assays with the p264 promoter having a twofold increase in PhoA activity compared to the p452 promoter. Proteolytic cleavage of PhoA from the cell surface confirmed proper delivery to the outer membrane. Furthermore, a linker library was constructed to optimize surface display. A rigid (EAAAK1 linker led to the greatest improvement, increasing PhoA activity by 69%. This surface display system could be used both to extend the capabilities of acetic acid bacteria in current biotechnological processes, and to broaden the potential of these microbes in the production of value-added products.

  20. Analysis of surface binding sites (SBSs) in carbohydrate active enzymes with focus on glycoside hydrolase families 13 and 77

    DEFF Research Database (Denmark)

    Cockburn, Darrell; Wilkens, Casper; Ruzanski, Christian

    2014-01-01

    Surface binding sites (SBSs) interact with carbohydrates outside of the enzyme active site. They are frequently situated on catalytic domains and are distinct from carbohydrate binding modules (CBMs). SBSs are found in a variety of enzymes and often seen in crystal structures. Notably about half ...

  1. Isothermal titration calorimetry and surface plasmon resonance allow quantifying substrate binding to different binding sites of Bacillus subtilis xylanase

    DEFF Research Database (Denmark)

    Cuyvers, Sven; Dornez, Emmie; Abou Hachem, Maher

    2012-01-01

    Isothermal titration calorimetry and surface plasmon resonance were tested for their ability to study substrate binding to the active site (AS) and to the secondary binding site (SBS) of Bacillus subtilis xylanase A separately. To this end, three enzyme variants were compared. The first...

  2. Endocytosis of wheat germ agglutinin binding sites from the cell surface into a tubular endosomal network.

    Science.gov (United States)

    Raub, T J; Koroly, M J; Roberts, R M

    1990-04-01

    By using fluorescence and electron microscopy, the endocytic pathway encountered by cell surface components after they had bound wheat germ agglutinin (WGA) was visualized. The majority of these components are thought to consist of sialylated glycoproteins (HMWAG) that represent a subpopulation of the total cell surface proteins but most of the externally disposed plasma membrane proteins of the cell. Examination of semi-thin sections by medium- and high-voltage electron microscopy revealed the three-dimensional organization of vesicular and tubular endosomes. Binding of either fluorescein isothiocyanate-, horseradish peroxidase-, or ferritin-conjugated WGA to cells at 4 degrees C showed that the HMWAG were distributed uniformly over the cell surface. Warming of surface-labeled cells to 37 degrees C resulted in the endocytosis of WGA into peripheral endosomes via invagination of regions of both coated and uncoated membrane. The peripheral endosome appeared as isolated complexes comprising a vesicular element (300-400 nm diam.) surrounded by and continuous with tubular cisternae (45-60 nm diam.), which did not interconnect the endosomes. After 30 min or more label also became localized in a network of anastomosing tubules (45-60 nm diam.) that were located in the centrosomal region of the cell. Endocytosed WGA-HMWAG complexes did not become associated with cisternae of the Golgi apparatus, although tubular and vesicular endosomes were noted in the vicinity of the trans-Golgi region. The accumulation of WGA-HMWAG in the endosomes within the centrosomal region was inhibited when cells were incubated at 18 degrees C. None of these compartments contained acid phosphatase activity, a result that is consistent with other data that the HMWAG do not pass through lysosomes initially. The kinetics of labeling were consistent with the interpretation that recycling of most of the WGA binding surface glycoproteins occurred rapidly from early peripheral endosomes followed by the

  3. Site and extent of amino acid digestion in dairy cattle fed with corn and its byproducts

    Directory of Open Access Journals (Sweden)

    Reginaldo Nassar Ferreira

    2015-02-01

    Full Text Available The study was conducted to evaluated the site and extent of dry matter (DM, crude protein (CP, methionine (Met, lysine (Lys, and threonine (Thr digestion of corn and byproducts obtained from corn germ mixed with different amounts of extruded or non-extruded ether extract (EE in dairy cattle. Treatments consisted in eight types of feed and two processing in a 4 × 2 factorial design. There were four feeds: corn grain cracked (Corn, corn germ meal with 1% EE (CG1, corn germ meal with 7% EE (CG7, and corn germ meal with 10% EE (CG10. The feeds were processed in one of two ways: extruded (Ex and not extruded. In situ techniques were used to determine DM, CP, Met, Lys, and Thr partial and total tract digestion. A basic diet was compounded of corn germ meal, soybean meal and coastcross hay in a 70:30 roughage to concentrate ratio. There was no interaction (P>0.05 between feeds and processing method. Extrusion improved (P0.05 for corn and corn germ meal mixed with 7 and 10% EE, regardless of EE processing method. The CP total tract digestibility of corn germ meal with 1% nonextruded EE was 16.62% higher (P<0.05 than that of the extruded form. The best total CP digestibility was obtained for corn germ meal with 7% EE, independently of the processing method. The effects of EE processing method on partial and total digestibility differed between amino acid. Corn and corn byproduct extrusion may improve dry matter digestibility, but do not necessarily influence crude protein digestion. Ruminal and intestinal digestibility of Met, Lys, and Thr depends on both feed type and processing method. Therefore, amino acid availability should be considered individually.

  4. Dual-mode fluorophore-doped nickel nitrilotriacetic acid-modified silica nanoparticles combine histidine-tagged protein purification with site-specific fluorophore labeling.

    Science.gov (United States)

    Kim, Sung Hoon; Jeyakumar, M; Katzenellenbogen, John A

    2007-10-31

    We present the first example of a fluorophore-doped nickel chelate surface-modified silica nanoparticle that functions in a dual mode, combining histidine-tagged protein purification with site-specific fluorophore labeling. Tetramethylrhodamine (TMR)-doped silica nanoparticles, estimated to contain 700-900 TMRs per ca. 23 nm particle, were surface modified with nitrilotriacetic acid (NTA), producing TMR-SiO2-NTA-Ni2+. Silica-embedded TMR retains very high quantum yield, is resistant to quenching by buffer components, and is modestly quenched and only to a certain depth (ca. 2 nm) by surface-attached Ni2+. When exposed to a bacterial lysate containing estrogen receptor alpha ligand binding domain (ERalpha) as a minor component, these beads showed very high specificity binding, enabling protein purification in one step. The capacity and specificity of these beads for binding a his-tagged protein were characterized by electrophoresis, radiometric counting, and MALDI-TOF MS. ERalpha, bound to TMR-SiO2-NTA-Ni++ beads in a site-specific manner, exhibited good activity for ligand binding and for ligand-induced binding to coactivators in solution FRET experiments and protein microarray fluorometric and FRET assays. This dual-mode type TMR-SiO2-NTA-Ni2+ system represents a powerful combination of one-step histidine-tagged protein purification and site-specific labeling with multiple fluorophore species.

  5. Shear wave profiles from surface wave inversion: the impact of uncertainty on seismic site response analysis

    International Nuclear Information System (INIS)

    Boaga, J; Vignoli, G; Cassiani, G

    2011-01-01

    Inversion is a critical step in all geophysical techniques, and is generally fraught with ill-posedness. In the case of seismic surface wave studies, the inverse problem can lead to different equivalent subsoil models and consequently to different local seismic response analyses. This can have a large impact on an earthquake engineering design. In this paper, we discuss the consequences of non-uniqueness of surface wave inversion on seismic responses, with both numerical and experimental data. Our goal is to evaluate the consequences on common seismic response analysis in the case of different impedance contrast conditions. We verify the implications of inversion uncertainty, and consequently of data information content, on realistic local site responses. A stochastic process is used to generate a set of 1D shear wave velocity profiles from several specific subsurface models. All these profiles are characterized as being equivalent, i.e. their responses, in terms of a dispersion curve, are compatible with the uncertainty in the same surface wave data. The generated 1D shear velocity models are then subjected to a conventional one-dimensional seismic ground response analysis using a realistic input motion. While recent analyses claim that the consequences of surface wave inversion uncertainties are very limited, our test points out that a relationship exists between inversion confidence and seismic responses in different subsoils. In the case of regular and relatively smooth increase of shear wave velocities with depth, as is usual in sedimentary plains, our results show that the choice of a specific model among equivalent solutions strongly influences the seismic response. On the other hand, when the shallow subsoil is characterized by a strong impedance contrast (thus revealing a characteristic soil resonance period), as is common in the presence of a shallow bedrock, equivalent solutions provide practically the same seismic amplification, especially in the

  6. Construction and expression of hepatitis B surface antigen escape variants within the "a" determinant by site directed mutagenesis.

    Science.gov (United States)

    Golsaz Shirazi, Forough; Amiri, Mohammad Mehdi; Mohammadi, Hamed; Bayat, Ali Ahmad; Roohi, Azam; Khoshnoodi, Jalal; Zarnani, Amir Hassan; Jeddi-Tehrani, Mahmood; Kardar, Gholam Ali; Shokri, Fazel

    2013-09-01

    The antibody response to hepatitis B surface antigen (HBsAg) controls hepatitis B virus infection. The "a" determinant of HBsAg is the most important target for protective antibody response, diagnosis and immunoprophylaxis. Mutations in this area may induce immune escape mutants and affect the performance of HBsAg assays. To construct clinically relevant recombinant mutant forms of HBsAg and assessment of their reactivity with anti-HBs monoclonal antibodies (MAbs). Wild type (wt) and mutant (mt) HBsAg genes were constructed by site directed mutagenesis and SEOing PCR. The amplified genes were inserted into pCMV6-neo plasmid and transfected in CHO cell line. The expression of wt- and mtHBsAg was assessed by commercial ELISA assays and stable cells were established and cloned by limiting dilution. The recombinant mutants were further characterized using a panel of anti-HBs monoclonal antibodies (MAbs) and the pattern of their reactivity was assessed by ELISA. Ten HBsAg mutants having single mutation within the "a" determinant including P120E, T123N, Q129H, M133L, K141E, P142S, D144A, G145R, N146S and C147S together with a wt form were successfully constructed and expressed in CHO cells. Reactivity of anti-HBs MAbs with mtHBsAgs displayed different patterns. The effect of mutations on antibody binding differed depending on the amino acid involved and its location within the ''a'' determinant. Mutation at amino acids 123 and 145 resulted in either complete loss or significant reduction of binding to all anti-HBs MAbs. Our panel of mtHBsAgs is a valuable tool for assessment of the antibody response to HBV escape mutants and may have substantial implications in HBV immunological diagnostics.

  7. Synthesis and Surface Activity of Cationic Amino Acid-Based Surfactants in Aqueous Solution.

    Science.gov (United States)

    Greber, Katarzyna E

    2017-01-01

    I studied the possibility of using amino acid-based surfactants as emulsifiers at the same time as preservatives. Fourteen lipopeptides were synthesized employing a solid phase peptide synthesis procedure. All compounds were designed to be positively charged from +1 to +4 and acylated with fatty acid chain-palmitic and miristic. The surface activity of the obtained lipopeptides was tested using a semi-automatic tensiometer to calculate parameters describing the behavior of lipopeptides in the air/water interface. Such parameters as CMC, surface tension at the CMC point ( σ CMC ), effectiveness ( π CMC ), and efficiency (pC20) were measured. Emulsifying properties of all lipopeptides were also examined. The studies reveal that the surface active properties of synthesized compounds strongly depend on the length of alkyl chains as well as on the composition of amino acid polar heads. The critical micelle concentration decreases with increasing alkyl chain length of lipopeptides with the same polar head. The effectiveness and efficiency decrease when the number of amino acids in the polar head increases. All lipopeptides established a very weak emulsification power and created unstable water/Miglyol 812 and water/paraffin oil emulsions. Results suggest that lipopeptides cannot be used as emulsifiers; nonetheless, it is possible to use them as auxiliary surfactants with disinfectant properties in combination with more potent emulsifiers.

  8. Elemental analyses of hypervelocity microparticle impact sites on Interplanetary Dust Experiment sensor surfaces

    Science.gov (United States)

    Simon, Charles G.; Hunter, J. L.; Griffis, D. P.; Misra, V.; Ricks, D. A.; Wortman, Jim J.; Brownlee, D. E.

    1993-01-01

    The Interplanetary Dust Experiment (IDE) had over 450 electrically active ultra-high purity metal-oxide-silicon impact detectors located on the six primary sides of the Long Duration Exposure Facility (LDEF). Hypervelocity microparticles (approximately 0.2 to approximately 100 micron diameter) that struck the active sensors with enough energy to break down the 0.4 or 1.0 micron thick SIO2 insulator layer separating the silicon base (the negative electrode), and the 1000 A thick surface layer of aluminum (the positive electrode) caused electrical discharges that were recorded for the first year of orbit. The high purity Al-SiO2-Si substrates allowed detection of trace (ppm) amounts of hypervelocity impactor residues. After sputtering through a layer of surface contamination, secondary ion mass spectrometry (SIMS) was used to create two-dimensional elemental ion intensity maps of microparticle impact sites on the IDE sensors. The element intensities in the central craters of the impacts were corrected for relative ion yields and instrumental conditions and then normalized to silicon. The results were used to classify the particles' origins as 'manmade,' 'natural,' or 'indeterminate.' The last classification resulted from the presence of too little impactor residue, analytical interference from high background contamination, the lack of information on silicon and aluminum residues, or a combination of these circumstances. Several analytical 'blank' discharges were induced on flight sensors by pressing down on the sensor surface with a pure silicon shard. Analyses of these blank discharges showed that the discharge energy blasts away the layer of surface contamination. Only Si and Al were detected inside the discharge zones, including the central craters of these features. Thus far a total of 79 randomly selected microparticle impact sites from the six primary sides of the LDEF have been analyzed: 36 from tray C-9 (Leading (ram), or East, side), 18 from tray C-3

  9. Annual and latitudinal variations of surface fluxes and meteorological variables at Arctic terrestrial sites

    Science.gov (United States)

    Grachev, Andrey; Uttal, Taneil; Persson, Ola; Konopleva-Akish, Elena; Crepinsek, Sara; Cox, Christopher; Fairall, Christopher; Makshtas, Alexander; Repina, Irina

    2016-04-01

    This study analyzes and discusses seasonal and latitudinal variations of surface fluxes (turbulent, radiative, and soil ground heat) and other ancillary surface/snow/permafrost data based on in-situ measurements made at two long-term research observatories near the coast of the Arctic Ocean located in Canada and Russia. The hourly averaged data collected at Eureka (Canadian territory of Nunavut) and Tiksi (East Siberia) located at two quite different latitudes (80.0 N and 71.6 N respectively) are analyzed in details to describe the seasons in the Arctic. Although Eureka and Tiksi are located at the different continents and at the different latitudes, the annual course of the surface meteorology and the surface fluxes are qualitatively very similar. The air and soil temperatures display the familiar strong seasonal trend with maximum of measured temperatures in mid-summer and minimum during winter. According to our data, variation in incoming short-wave solar radiation led the seasonal pattern of the air and soil temperatures, and the turbulent fluxes. During the dark Polar nights, air and ground temperatures are strongly controlled by long-wave radiation associated generally with cloud cover. Due to the fact that in average the higher latitudes receive less solar radiation than lower latitudes, a length of the convective atmospheric boundary layer (warm season) is shorter and middle-summer amplitude of the turbulent fluxes is generally less in Eureka than in Tiksi. However, since solar elevation angle at local midnight in the middle of Arctic summer is higher for Eureka as compared to Tiksi, stable stratification and upward turbulent flux for carbon dioxide is generally did not observed at Eureka site during summer seasons. It was found a high correlation between the turbulent fluxes of sensible and latent heat, carbon dioxide and the net solar radiation. A comprehensive evaluation of energy balance closure problem is performed based on the multi-year data sets

  10. Solid acid catalysis from fundamentals to applications

    CERN Document Server

    Hattori, Hideshi

    2014-01-01

    IntroductionTypes of solid acid catalystsAdvantages of solid acid catalysts Historical overviews of solid acid catalystsFuture outlookSolid Acids CatalysisDefinition of acid and base -Brnsted acid and Lewis acid-Acid sites on surfacesAcid strengthRole of acid sites in catalysisBifunctional catalysisPore size effect on catalysis -shape selectivity-Characterization of Solid Acid Catalysts Indicator methodTemperature programmed desorption (TPD) of ammoniaCalorimetry of adsorption of basic moleculesInfrare

  11. Zinc isotope investigation of surface and pore waters in a mountain watershed impacted by acid rock drainage

    Energy Technology Data Exchange (ETDEWEB)

    Aranda, Suzan [Department of Geological Sciences, University of Texas at El Paso, El Paso, TX 79968 (United States); Borrok, David M., E-mail: dborrok@utep.edu [Department of Geological Sciences, University of Texas at El Paso, El Paso, TX 79968 (United States); Wanty, Richard B. [US Geological Survey, MS 964d, Denver Federal Center, Denver, CO 80225 (United States); Balistrieri, Laurie S. [U.S. Geological Survey, University of Washington, School of Oceanography, Seattle, WA 98195 (United States)

    2012-03-15

    The pollution of natural waters with metals derived from the oxidation of sulfide minerals like pyrite is a global environmental problem. However, the metal loading pathways and transport mechanisms associated with acid rock drainage reactions are often difficult to characterize using bulk chemical data alone. In this study, we evaluated the use of zinc (Zn) isotopes to complement traditional geochemical tools in the investigation of contaminated waters at the former Waldorf mining site in the Rocky Mountains, Colorado, U.S.A. Geochemical signatures and statistical analysis helped in identifying two primary metal loading pathways at the Waldorf site. The first was characterized by a circumneutral pH, high alkalinity, and high Zn/Cd ratios. The second was characterized by acidic pHs and low Zn/Cd ratios. Zinc isotope signatures in surface water samples collected across the site were remarkably similar (the {delta}{sup 66}Zn, relative to JMC 3-0749-L, for most samples ranged from 0.20 to 0.30 Per-Mille-Sign {+-} 0.09 Per-Mille-Sign 2{sigma}). This probably suggests that the ultimate source of Zn is consistent across the Waldorf site, regardless of the metal loading pathway. The {delta}{sup 66}Zn of pore water samples collected within a nearby metal-impacted wetland area, however, were more variable, ranging from 0.20 to 0.80 Per-Mille-Sign {+-} 0.09 Per-Mille-Sign 2{sigma}. Here the Zn isotopes seemed to reflect differences in groundwater flow pathways. However, a host of secondary processes might also have impacted Zn isotopes, including adsorption of Zn onto soil components, complexation of Zn with dissolved organic matter, uptake of Zn into plants, and the precipitation of Zn during the formation of reduced sulfur species. Zinc isotope analysis proved useful in this study; however, the utility of this isotopic tool would improve considerably with the addition of a comprehensive experimental foundation for interpreting the complex isotopic relationships found in

  12. Zinc isotope investigation of surface and pore waters in a mountain watershed impacted by acid rock drainage

    International Nuclear Information System (INIS)

    Aranda, Suzan; Borrok, David M.; Wanty, Richard B.; Balistrieri, Laurie S.

    2012-01-01

    The pollution of natural waters with metals derived from the oxidation of sulfide minerals like pyrite is a global environmental problem. However, the metal loading pathways and transport mechanisms associated with acid rock drainage reactions are often difficult to characterize using bulk chemical data alone. In this study, we evaluated the use of zinc (Zn) isotopes to complement traditional geochemical tools in the investigation of contaminated waters at the former Waldorf mining site in the Rocky Mountains, Colorado, U.S.A. Geochemical signatures and statistical analysis helped in identifying two primary metal loading pathways at the Waldorf site. The first was characterized by a circumneutral pH, high alkalinity, and high Zn/Cd ratios. The second was characterized by acidic pHs and low Zn/Cd ratios. Zinc isotope signatures in surface water samples collected across the site were remarkably similar (the δ 66 Zn, relative to JMC 3-0749-L, for most samples ranged from 0.20 to 0.30‰ ± 0.09‰ 2σ). This probably suggests that the ultimate source of Zn is consistent across the Waldorf site, regardless of the metal loading pathway. The δ 66 Zn of pore water samples collected within a nearby metal-impacted wetland area, however, were more variable, ranging from 0.20 to 0.80‰ ± 0.09‰ 2σ. Here the Zn isotopes seemed to reflect differences in groundwater flow pathways. However, a host of secondary processes might also have impacted Zn isotopes, including adsorption of Zn onto soil components, complexation of Zn with dissolved organic matter, uptake of Zn into plants, and the precipitation of Zn during the formation of reduced sulfur species. Zinc isotope analysis proved useful in this study; however, the utility of this isotopic tool would improve considerably with the addition of a comprehensive experimental foundation for interpreting the complex isotopic relationships found in soil pore waters. - Highlights: ► Zinc isotopes of water were measured in

  13. Modulation of salivation and heartburn in response to the site of acid infusion in the human oesophagus.

    Science.gov (United States)

    Dutta, S K; Agrawal, K; Mahmoud, M A

    2010-09-01

    The pathogenesis of gastro-oesophageal reflux disease includes increased acid reflux, reduced salivation and impaired peristalsis. This may depend upon the height of acid wave and magnitude of oesophageal mucosal exposure. Interestingly, the effect of site of acid infusion upon salivary secretion and heartburn has not been examined in any detail. To examine whether acid infusion in the upper oesophagus may cause increased salivation and heartburn as compared with acid infusion in the lower oesophagus. Twelve healthy male subjects (mean age 30) received infusions of HCl, citric acid and acetic acid at 10 and 20 cm above the lower oesophageal sphincter (LES) for fixed time periods. Parotid saliva collected periodically and heartburn severity scored using standardized scale. Standard statistical methods (paired t-tests, analysis of variance) were used to determine the significance of results. Acid infusion in the upper oesophagus increased parotid flow rate as compared with that in the lower oesophagus (P heartburn score at 20 cm as well as 10 cm above LES (P heartburn in response to acid infusion in the upper vs. lower part of the oesophagus. 2010 Blackwell Publishing Ltd.

  14. Degradation of unglazed rough graphite-aluminium solar absorber surfaces in simulated acid and neutral rain

    International Nuclear Information System (INIS)

    Konttinen, P.; Lund, P.D.; Salo, T.

    2005-01-01

    Degradation mechanisms of unglazed solar absorber surfaces based on aluminium substrate were studied. Rough graphite-aluminium surfaces were total-immersion subjected to aerated and de-aerated simulated neutral and acid rain. Test conditions were based on calculated absorber stagnation temperature and global rain acidity measurements. Changes in optical properties, elemental composition and sample mass were examined by spectrometry, energy dispersive X-ray spectrometry and thermogravimetry, respectively. The absorbers exhibited almost no degradation at pH value of 3.5. At pH 5.5 alumina on the surface hydrated significantly degrading the optical properties of the surfaces severely in most cases. Therefore these absorber surfaces can not be recommended to be used in non-glazed applications if they are exposed to rain with pH exceeding ∼ 3.5-4.5. The total-immersion test needs to be developed further as the test results exhibited poor temperature and time dependency thus preventing accurate service lifetime estimates. Still, these tests were useful in determining favourable and non-favourable operating conditions for the absorber surfaces based on aluminium substrate. (author)

  15. Unravelling the surface chemistry of metal oxide nanocrystals, the role of acids and bases.

    Science.gov (United States)

    De Roo, Jonathan; Van den Broeck, Freya; De Keukeleere, Katrien; Martins, José C; Van Driessche, Isabel; Hens, Zeger

    2014-07-09

    We synthesized HfO2 nanocrystals from HfCl4 using a surfactant-free solvothermal process in benzyl alcohol and found that the resulting nanocrystals could be transferred to nonpolar media using a mixture of carboxylic acids and amines. Using solution (1)H NMR, FTIR, and elemental analysis, we studied the details of the transfer reaction and the surface chemistry of the resulting sterically stabilized nanocrystals. As-synthesized nanocrystals are charge-stabilized by protons, with chloride acting as the counterion. Treatment with only carboxylic acids does not lead to any binding of ligands to the HfO2 surface. On the other hand, we find that the addition of amines provides the basic environment in which carboxylic acids can dissociate and replace chloride. This results in stable, aggregate-free dispersions of HfO2 nanocrystals, sterically stabilized by carboxylate ligands. Moreover, titrations with deuterated carboxylic acid show that the charge on the carboxylate ligands is balanced by coadsorbed protons. Hence, opposite from the X-type/nonstoichiometric nanocrystals picture prevailing in literature, one should look at HfO2/carboxylate nanocrystals as systems where carboxylic acids are dissociatively adsorbed to bind to the nanocrystals. Similar results were obtained with ZrO2 NCs. Since proton accommodation on the surface is most likely due to the high Brønsted basicity of oxygen, our model could be a more general picture for the surface chemistry of metal oxide nanocrystals with important consequences on the chemistry of ligand exchange reactions.

  16. The development of permanent isolation surface barriers: Hanford Site, Richland, Washington, U.S.A

    International Nuclear Information System (INIS)

    Wing, N.R.; Gee, G.W.

    1993-01-01

    Permanent isolation surface barriers are being developed to isolate wastes disposed of in situ (in place) at the US Department of Energy's Hanford Site in Washington State (USA). The current focus of development efforts is to design barriers that will function in a semiarid to subhumid climate, Emit infiltration and percolation of water through the waste zone to near-zero amounts, be maintenance free, and last up to 1000 years or more. A series of field tests, experiments, and lysimeter studies have been conducted for several years. The results of tests to date confirm that the Hanford barrier concepts are valid for both present and wetter climatic conditions. The data collected also have provided the foundation for the design of a large prototype barrier to be constructed later in 1993. This paper presents the results of some of the field tests, experiments, and lysimeter studies

  17. Risk assessing heavy metals in the groundwater-surface water interface at a contaminated site

    DEFF Research Database (Denmark)

    Bigi, Giovanni; McKnight, Ursula S.; Bjerg, Poul Løgstrup

    such as surface water and groundwater (EC, 2017). The current study quantified and assessed the contamination of As, Cd, Cr, Cu, Ni, Pb and Zn in the shallow aquifer, hyporheic zone, stream water and streambed sediments at Rådvad site, a former metal manufacturing industrial area located in Denmark, investigating...... in the soil). Stream water was sampled in 12 points, while groundwater was sampled in 4 wells close to the stream where the interaction was suspected. Sediments and hyporheic zone were sampled in pair, where upward hydraulic heads have been detected. A drain discharging in the river was also sampled....... Sediments were divided in different layers and both heavy metal total concentration and chemical partitioning were analysed. Redox species and dissolved organic matter were also analysed in the water samples, while fraction of organic carbon was investigated in the extracted sediments. Results showed a high...

  18. Seasonal and latitudinal variations of surface fluxes at two Arctic terrestrial sites

    Science.gov (United States)

    Grachev, Andrey A.; Persson, P. Ola G.; Uttal, Taneil; Akish, Elena A.; Cox, Christopher J.; Morris, Sara M.; Fairall, Christopher W.; Stone, Robert S.; Lesins, Glen; Makshtas, Alexander P.; Repina, Irina A.

    2017-11-01

    This observational study compares seasonal variations of surface fluxes (turbulent, radiative, and soil heat) and other ancillary atmospheric/surface/permafrost data based on in-situ measurements made at terrestrial research observatories located near the coast of the Arctic Ocean. Hourly-averaged multiyear data sets collected at Eureka (Nunavut, Canada) and Tiksi (East Siberia, Russia) are analyzed in more detail to elucidate similarities and differences in the seasonal cycles at these two Arctic stations, which are situated at significantly different latitudes (80.0°N and 71.6°N, respectively). While significant gross similarities exist in the annual cycles of various meteorological parameters and fluxes, the differences in latitude, local topography, cloud cover, snowfall, and soil characteristics produce noticeable differences in fluxes and in the structures of the atmospheric boundary layer and upper soil temperature profiles. An important factor is that even though higher latitude sites (in this case Eureka) generally receive less annual incoming solar radiation but more total daily incoming solar radiation throughout the summer months than lower latitude sites (in this case Tiksi). This leads to a counter-intuitive state where the average active layer (or thaw line) is deeper and the topsoil temperature in midsummer are higher in Eureka which is located almost 10° north of Tiksi. The study further highlights the differences in the seasonal and latitudinal variations of the incoming shortwave and net radiation as well as the moderating cloudiness effects that lead to temporal and spatial differences in the structure of the atmospheric boundary layer and the uppermost ground layer. Specifically the warm season (Arctic summer) is shorter and mid-summer amplitude of the surface fluxes near solar noon is generally less in Eureka than in Tiksi. During the dark Polar night and cold seasons (Arctic winter) when the ground is covered with snow and air temperatures

  19. Data Validation Package October 2016 Groundwater and Surface Water Sampling at the Monticello, Utah, Disposal and Processing Sites January 2017

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Jason [USDOE Office of Legacy Management (LM), Washington, DC (United States); Smith, Fred [Navarro Research and Engineering, Inc., Grand Junction, CO (United States)

    2017-02-01

    Sampling Period: October 10–12, 2016. This semiannual event includes sampling groundwater and surface water at the Monticello Disposal and Processing Sites. Sampling and analyses were conducted as specified in the Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites (LMS/PRO/S04351, continually updated) and Program Directive MNT-2016-01. Samples were collected from 54 of 64 planned locations (16 of 17 former mill site wells, 15 of 18 downgradient wells, 7 of 9 downgradient permeable reactive barrier wells, 3 of 3 bedrock wells, 4 of 7 seeps and wetlands, and 9 of 10 surface water locations).

  20. FRACTAL ANALYSIS OF PHYSICAL ADSORPTION ON SURFACES OF ACID ACTIVATED BENTONITES FROM SERBIA

    Directory of Open Access Journals (Sweden)

    Ljiljana Rožić

    2008-11-01

    Full Text Available Solid surfaces are neither ideally regular, that is, morphological and energeticcally homogeneous, nor are they fully irregular or fractal. Instead, real solid surfaces exhibit a limited degree of organization quantified by the fractal dimension, D. Fractal analysis was applied to investigate the effect of concentrations of HCl solutions on the structural and textural properties of chemically activated bentonite from southern Serbia. Acid treatment of bentonites is applied in order to remove impurities and various exchangeable cations from bentonite clay. Important physical changes in acid-activated smectite are the increase of the specific surface area and of the average pore volume, depending on acid strength, time and temperature of a treatment. On the basis of the sorption-structure analysis, the fractal dimension of the bentonite surfaces was determined by Mahnke and Mögel method. The fractal dimension evaluated by this method was 2.11 for the AB3 and 1.94 for the AB4.5 sample. The estimation of the values of the fractal dimension of activated bentonites was performed in the region of small pores, 0.5 nm < rp < 2 nm.

  1. Iodine 125-lysergic acid diethylamide binds to a novel serotonergic site on rat choroid plexus epithelial cells

    International Nuclear Information System (INIS)

    Yagaloff, K.A.; Hartig, P.R.

    1985-01-01

    125 I-Lysergic acid diethylamide ( 125 I-LSD) binds with high affinity to serotonergic sites on rat choroid plexus. These sites were localized to choroid plexus epithelial cells by use of a novel high resolution stripping film technique for light microscopic autoradiography. In membrane preparations from rat choroid plexus, the serotonergic site density was 3100 fmol/mg of protein, which is 10-fold higher than the density of any other serotonergic site in brain homogenates. The choroid plexus site exhibits a novel pharmacology that does not match the properties of 5-hydroxytryptamine-1a (5-HT1a), 5-HT1b, or 5-HT2 serotonergic sites. 125 I-LSD binding to the choroid plexus site is potently inhibited by mianserin, serotonin, and (+)-LSD. Other serotonergic, dopaminergic, and adrenergic agonists and antagonists exhibit moderate to weak affinities for this site. The rat choroid plexus 125 I-LSD binding site appears to represent a new type of serotonergic site which is located on non-neuronal cells in this tissue

  2. A study of the rates of heat transfer and bubble site density for nucleate boiling on an inclined heating surface

    International Nuclear Information System (INIS)

    Bonamy, S.E.; Symons, J.G.

    1974-08-01

    Nucleate pool boiling of distilled water from an electrically heated surface at atmospheric pressure is studied for varying heating surface inclinations. The constants of the accepted boiling equation phi = K Tsup(B) and the Rohsenow Correlation Coefficient are found to be dependent on surface orientation. Convection cooling is observed to play a major role in pool boiling phenomena and causes large changes in the heat transfer rates for a given excess of temperature of the heated surface. Active nucleation site density is studied and found to be independent of surface inclination. Empirical relations are presented to provide an understanding of the effects of inclination on other boiling parameters. (author)

  3. Strategies for Reduced Acid and Metalliferous Drainage by Pyrite Surface Passivation

    Directory of Open Access Journals (Sweden)

    Gujie Qian

    2017-03-01

    Full Text Available Acid and metalliferous drainage (AMD is broadly accepted to be a major global environmental problem facing the mining industry, requiring expensive management and mitigation. A series of laboratory-scale kinetic leach column (KLC experiments, using both synthetic and natural mine wastes, were carried out to test the efficacy of our pyrite passivation strategy (developed from previous research for robust and sustainable AMD management. For the synthetic waste KLC tests, initial treatment with lime-saturated water was found to be of paramount importance for maintaining long-term circum-neutral pH, favourable for the formation and preservation of the pyrite surface passivating layer and reduced acid generation rate. Following the initial lime-saturated water treatment, minimal additional alkalinity (calcite-saturated water was required to maintain circum-neutral pH for the maintenance of pyrite surface passivation. KLC tests examining natural potentially acid forming (PAF waste, with much greater peak acidity than that of the synthetic waste, blended with lime (≈2 wt % with and without natural non-acid-forming (NAF waste covers, were carried out. The addition of lime and use of NAF covers maintained circum-neutral leachate pH up to 24 weeks. During this time, the net acidity generated was found to be significantly reduced by the overlying NAF cover. If the reduced rate of acidity production from the natural PAF waste is sustained, the addition of smaller (more economically-feasible amounts of lime, together with application of NAF wastes as covers, could be trialled as a potential cost-effective AMD mitigation strategy.

  4. Hanford Site Permanent Isolation Surface Barrier Development Program: Fiscal year 1992 and 1993 highlights

    International Nuclear Information System (INIS)

    Cadwell, L.L.; Link, S.O.; Gee, G.W.

    1993-09-01

    The Hanford Site Permanent Isolation Surface Barrier Development Program was jointly developed by the Pacific Northwest Laboratory and Westinghouse Hanford Company to design and test an earthen cover system that can be used to inhibit water infiltration; plant, animal, and human intrusion; and wind and water erosion. Kaiser Engineers Hanford Company provided engineering design support for the program. Work on barrier design has been under way at Hanford for nearly 10 years. The comprehensive development of a long-term barrier, formerly the Hanford Site Protective Barrier Development Program, was initiated in FY 1986, and a general field-tested design is expected to be completed by FY 1998. Highlights of efforts in FY 1992 and FY 1993 included the resumption of field testing, the completion of the prototype barrier design, and the convening of an external peer review panel, which met twice with the barrier development team. The review panel provided helpful guidance on current and future barrier development activities, while commending the program for its significant technical contributions to innovative barrier technology development

  5. Hanford Site Long-term Surface Barrier Development Program: Fiscal year 1994 highlights

    International Nuclear Information System (INIS)

    Petersen, K.L.; Link, S.O.; Gee, G.W.

    1995-08-01

    The Hanford Site Surface Barrier Development Program was organized in 1985 to test the effectiveness of various barrier designs in minimizing the effects of water infiltration; plant, animal and human intrusion; and wind and water erosion on buried wastes, plus preventing or minimizing the emanation of noxious gases. A team of scientists from the Pacific Northwest Laboratory (PNL) and engineers from Westinghouse Hanford Company (WHC) direct the barrier development effort. ICF Kaiser Hanford Company, in conjunction with WHC and PNL, developed design drawings and construction specifications for a 5-acre prototype barrier. The highlight of efforts in FY 1994 was the construction of the prototype barrier. The prototype barrier was constructed on the Hanford Site at the 200 BP-1 Operable Unit of the 200 East Area. Construction was completed in August 1994 and monitoring instruments are being installed so experiments on the prototype barrier can begin in FY 1995. The purpose of the prototype barrier is to provide insights and experience with issues regarding barrier design, construction, and performance that have not been possible with individual tests and experiments conducted to date. Additional knowledge and experience was gained in FY 1994 on erosion control, physical stability, water infiltration control, model testing, Resource Conservation and Recovery Act (RCRA) comparisons, biointrusion control, long-term performance, and technology transfer

  6. Safety Assessment of a Hypothetical Near Surface Disposal at PPTN Serpong Site: Near-Field Modeling

    International Nuclear Information System (INIS)

    Lubis, Erwansyah

    2000-01-01

    The near field modeling of a hypothetical surface disposal at Serpong site has been performed. Considering a realistic downward water flux of 10 -1 0 m/s through the conditioned waste zone and the concrete barriers, transport of radionuclide by advection and dispersion below the bottom of the repository was calculated using PORFLOW computer code. The result shows that the highest fluxes were observed H-3, Cs-135, Nb-94 and Ni-59, all about 10 4 Bq/a/m 2 . Intermediate fluxes were obtained for Cs-137, I-129 and Co-60. Lowest were due to Ni-63 and C-14. The effect on radionuclide fluxes by having an unsaturated soil of 1.0-m depth below the bottom of the repository also was investigated. The results indicate that the highest fluxes are due to Cs-135, Nb-94 and Ni- 59, approximately 10 4 Bq/a/m 2 . The fluxes owing to H-3 has decreased to 10 -9 Bq/a/m 2 owing to decay. Radionuclides that are not absorbed onto lateritic clay soil, C-14 and I-129 are not decreased in flux. All other radionuclides has significantly smaller fluxes compared to the ones calculated at the bottom of the repository. This indicates that the lateric clay soil at Serpong site plays an important role in retarding and dispersing the radionuclide migration towards the ground water. (author)

  7. Differences in laser-Doppler indices between skin-surface measurement sites in subjects with diabetes.

    Science.gov (United States)

    Hsiu, Hsin; Hu, Hsiao-Feng; Tsai, Hung-Chi

    2018-01-01

    This study performed laser-Doppler flowmetry (LDF) measurements with the aim of identifying differences in diabetes-induced microcirculatory-blood-flow (MBF) responses between the following skin surface measurement sites: an acupoint around the wrist, an acupoint around the ankle, and a nearby nonacupoint around the ankle. The 67 study subjects were assigned to diabetic, prediabetic, and healthy groups according to the results of oral glucose tolerance tests. Beat-to-beat and spectral analyses were applied to the LDF waveform to obtain the foot delay time (FDT), the flow rise time (FRT), and the relative energy contributions (RECs) in five frequency bands. FRT and FDT were significantly shorter and the RECs of the endothelial-, neural-, and myogenic-related frequency bands were significantly smaller in the diabetic group than in the control group at the acupoint around the ankle, but there were no such prominent differences at the other sites. The acupoint around the ankle was better than the nearby nonacupoint and the acupoint around the wrist for distinguishing the age-matched diabetic, prediabetic, and healthy subjects. These findings imply that when monitoring diabetes-induced MBF responses, the measurement locations should be chosen carefully in order to minimize interference effects and to improve the ability to distinguish subjects with different conditions. Copyright © 2017 Elsevier Inc. All rights reserved.

  8. Monitoring production using surface deformation: the Hijiori test site and the Okuaizu geothermal field

    International Nuclear Information System (INIS)

    Vasco, D.W.; Karasaki, Kenzi

    2002-01-01

    Production in geothermal reservoirs often leads to observable surface displacement. As shown in this paper, there is a direct relationship between such displacement and reservoir dynamics. This relationship is exploited in order to image fluid flow at two geothermal field sites. At the first locality, the Hijiori Hot Dry Rock (HDR) test site, 17 tilt meters record deformation associated with a 2.2 km deep injection experiment. Images of fluid migration along a ring fracture system of the collapsed Hijiori caldera are obtained. At the Okuaizu geothermal field, leveling and tilt meter data provide constraints on long- and short-term fluid movement within the reservoir. A set of 119 leveling data suggest that the north-to-northeast trending Takiyagawa fault acts as a barrier to flow. The northwesterly oriented Chinoikezawa and Sarukurazawa faults appear to channel fluid from the southeast. The tilt data from Okuaizu indicate that a fault paralleling the Takiyagawa fault zone acts as a conduit to transient flow, on a time scale of several weeks. The volume strain in a region adjacent to the injection wells reaches a maximum and then decreases with time. The transient propagation of fluid along the fault may be due to pressure build-up, resulting from the re-initiation of injection. (author)

  9. High-Temperature Decomposition of Brønsted Acid Sites in Gallium-Substituted Zeolites

    Energy Technology Data Exchange (ETDEWEB)

    K Al-majnouni; N Hould; W Lonergan; D Vlachos; R Lobo

    2011-12-31

    The dehydroxylation of Broensted acid sites (BAS) in Ga-substituted zeolites was investigated at temperatures up to 850 C using X-ray absorption spectroscopy (XAS), Fourier transform infrared spectroscopy (FTIR), and mass spectrometry-temperature programmed desorption (MS-TPD). X-ray absorption near-edge spectroscopy (XANES) revealed that the majority of gallium has tetrahedral coordination even after complete dehydroxylation. The interatomic gallium-oxygen distance and gallium coordination number determined by extended X-ray absorption fine structure (EXAFS) are consistent with gallium in tetrahedral coordination at low T (< 550 C). Upon heating Ga-Beta and Ga-ZSM5 to 850 C, analysis of the EXAFS showed that 70 and 80% of the gallium was still in tetrahedral coordination. The remainder of the gallium was found to be in octahedral coordination. No trigonal Ga atoms were observed. FTIR measurements carried out at similar temperatures show that the intensity of the OH vibration due to BAS has been eliminated. MS-TPD revealed that hydrogen in addition to water evolved from the samples during dehydroxylation. This shows that dehydrogenation in addition to dehydration is a mechanism that contributes to BAS decomposition. Dehydrogenation was further confirmed by exposing the sample to hydrogen to regenerate some of the BAS as monitored by FTIR and MS-TPD.

  10. Food deprivation modulates gamma-aminobutyric acid receptors and peripheral benzodiazepine binding sites in rats.

    Science.gov (United States)

    Weizman, A; Bidder, M; Fares, F; Gavish, M

    1990-12-03

    The effect of 5 days of food deprivation followed by 5 days of refeeding on gamma-aminobutyric acid (GABA) receptors, central benzodiazepine receptors (CBR), and peripheral benzodiazepine binding sites (PBzS) was studied in female Sprague-Dawley rats. Starvation induced a decrease in the density of PBzS in peripheral organs: adrenal (35%; P less than 0.001), kidney (33%; P less than 0.01), and heart (34%; P less than 0.001). Restoration of [3H]PK 11195 binding to normal values was observed in all three organs after 5 days of refeeding. The density of PBzS in the ovary, pituitary, and hypothalamus was not affected by starvation. Food deprivation resulted in a 35% decrease in cerebellar GABA receptors (P less than 0.01), while CBR in the hypothalamus and cerebral cortex remained unaltered. The changes in PBzS observed in the heart and kidney may be related to the long-term metabolic stress associated with starvation and to the functional changes occurring in these organs. The down-regulation of the adrenal PBzS is attributable to the suppressive effect of hypercortisolemia on pituitary ACTH release. The reduction in cerebellar GABA receptors may be an adaptive response to food deprivation stress and may be relevant to the proaggressive effect of hunger.

  11. Surface radiological investigations at the 0816 Site, Waste Area Grouping 13, Oak Ridge National Laboratory, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    Tiner, P.F.; Uziel, M.S.

    1994-12-01

    A surface radiological investigation was conducted intermittently from July through September 1994 at the 0816 site, located within Waste Area Grouping (WAG) 13. The survey was performed by members of the Measurement Applications and Development Group, Health Sciences Research Division, Oak Ridge National Laboratory (ORNL) at the request of ORNL Site Environmental Restoration Program Facility Management. The purpose of the survey was to ascertain and document the surface radiological condition of the site subsequent to remedial action activities completed in May 1994. The survey was designed to determine whether any residual surface sod contamination in excess of 120 pCi/g 137 Cs (Specified by the Interim Record of Decision) remained at the site

  12. Description of climate, surface hydrology, and near-surface hydrogeology. Preliminary site description. Forsmark area - version 1.2

    International Nuclear Information System (INIS)

    Johansson, Per-Olof; Werner, Kent; Bosson, Emma; Berglund, Sten; Juston, John

    2005-06-01

    groundwater recharge to, or discharge from, the bedrock (the model includes the bedrock to a depth of 150 m, based on the Forsmark 1.1 description of the hydraulic properties of the rock). Also the results from the particle tracking simulations show that the groundwater flow is dominated by its vertical component. The dominant transport of particles in the rock occurs in the fracture zones. A relatively large amount of new data has been available for the Forsmark version 1.2 modelling of surface hydrology and near-surface hydrogeology. The available local meteorological time series are very short and longer time series are needed to get reliable correlations to nearby regional SMHI-stations. Local continuous discharge measurements were not available for the Forsmark 1.2 modelling. Future time series from such measurements will be most valuable for the derivation of a more accurate total water balance. The groundwater levels in the area are very shallow. However, there is a bias towards local topographical minima in the location of the monitoring wells. Some additional wells should be located to typical local topographical maxima (recharge areas). The evident difference in groundwater levels between the Quaternary deposits and the upper bedrock observed at some of the core-drill sites should be further investigated for a better understanding of the hydraulic contact between the Quaternary deposits and the rock. The locations of recharge and discharge areas at different scales are crucial for the understanding of the groundwater flow system. A combination of complementary field investigations, including hydrogeological and hydrogeochemical methods, and modelling exercises using models based on morphological parameters as well as hydrogeological modelling is recommended. The model results should be compared with, e.g. the vegetation map, the soil type map and the Quaternary deposits map

  13. Enzyme active site mimics based on TriAzaCyclophane (TAC)-scaffolded peptides and amino acid residues

    NARCIS (Netherlands)

    Albada, H.B.

    2009-01-01

    This thesis describes the scope and limitations of the application of TriAzaCyclophane (TAC)-scaffolded peptides or amino acid residues as enzyme active site mimics, as ligands in asymmetric catalysis and as hydrolysis catalysts attached to vancomycin. For the mimicry of functional group enzymes, of

  14. Dehydroisomerization of n-butane over Pt-ZSMMMm5(I): effect of the metal loading and acid site concentration

    NARCIS (Netherlands)

    Pirngruber, G.D.; Seshan, Kulathuiyer; Lercher, J.A.

    1999-01-01

    The dehydroisomerization of n-butane to isobutene over Pt–ZSM5 catalysts with a high Si/Al ratio was studied. The catalytic activity increases with increasing metal loading. Butenes formed via dehydrogenation over the metallic particles are converted to isobutene over the Brønsted acid sites. The

  15. Triazacyclophane (TAC)-scaffolded histidine and aspartic acid residues as mimics of non-heme metalloenzyme active sites

    NARCIS (Netherlands)

    Albada, H.B.; Soulimani, F.; Jacobs, H.J.F.; Versluis, C.; Weckhuysen, B.M.; Liskamp, R.M.J.

    2012-01-01

    We describe the synthesis and coordination behaviour to copper(II) of two close structural triazacyclophane-based mimics of two often encountered aspartic acid and histidine containing metalloenzyme active sites. Coordination of these mimics to copper(I) and their reaction with molecular oxygen

  16. Insights into the mechanism of acetic acid hydrogenation to ethanol on Cu(111) surface

    Science.gov (United States)

    Zhang, Minhua; Yao, Rui; Jiang, Haoxi; Li, Guiming; Chen, Yifei

    2017-08-01

    Density functional theory (DFT) calculations were employed to theoretically explain the reaction mechanism of acetic acid hydrogenation to ethanol on Cu catalyst. The activation barriers of key elementary steps and the adsorption configurations of key intermediates involved in acetic acid hydrogenation on Cu(111) surface were investigated. The results indicated that the direct dissociation of acetic acid to acetyl (CH3COOH → CH3CO + OH) is the rate-determined step. The activation barrier of acetic acid scission to acetyl and the adsorption energy of acetic acid are two descriptors which could determine the conversion of acetic acid. The descriptors might have effects on the ethanol selectivity including: the adsorption energy of acetaldehyde and the activation barriers for Osbnd H bond formation of C2-oxygenates (CH3CO + H → CH3COH, CH3CHO + H → CH3CHOH and CH3CH2O + H → CH3CH2OH). These proposed descriptors could be used as references to design new Cu-based catalysts that have excellent catalytic performance.

  17. Passive wireless surface acoustic wave sensors for monitoring sequestration sites CO2 emission

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yizhong [Univ. of Pittsburgh, PA (United States); Chyu, Minking [Univ. of Pittsburgh, PA (United States); Wang, Qing-Ming [Univ. of Pittsburgh, PA (United States)

    2013-02-14

    University of Pittsburgh’s Transducer lab has teamed with the U.S. Department of Energy’s National Energy Technology Laboratory (DOE NETL) to conduct a comprehensive study to develop/evaluate low-cost, efficient CO2 measuring technologies for geological sequestration sites leakage monitoring. A passive wireless CO2 sensing system based on surface acoustic wave technology and carbon nanotube nanocomposite was developed. Surface acoustic wave device was studied to determine the optimum parameters. Delay line structure was adopted as basic sensor structure. CNT polymer nanocomposite was fabricated and tested under different temperature and strain condition for natural environment impact evaluation. Nanocomposite resistance increased for 5 times under pure strain, while the temperature dependence of resistance for CNT solely was -1375ppm/°C. The overall effect of temperature on nanocomposite resistance was -1000ppm/°C. The gas response of the nanocomposite was about 10% resistance increase under pure CO2 . The sensor frequency change was around 300ppm for pure CO2 . With paralyne packaging, the sensor frequency change from relative humidity of 0% to 100% at room temperature decreased from over 1000ppm to less than 100ppm. The lowest detection limit of the sensor is 1% gas concentration, with 36ppm frequency change. Wireless module was tested and showed over one foot transmission distance at preferred parallel orientation.

  18. Surface and subsurface cleanup protocol for radionuclides, Gunnison, Colorado, UMTRA project processing site. Final [report

    Energy Technology Data Exchange (ETDEWEB)

    1993-09-01

    Surface and subsurface soil cleanup protocols for the Gunnison, Colorado, processing sits are summarized as follows: In accordance with EPA-promulgated land cleanup standards (40 CFR 192), in situ Ra-226 is to be cleaned up based on bulk concentrations not exceeding 5 and 15 pCi/g in 15-cm surface and subsurface depth increments, averaged over 100-m{sup 2} grid blocks, where the parent Ra-226 concentrations are greater than, or in secular equilibrium with, the Th-230 parent. A bulk interpretation of these EPA standards has been accepted by the Nuclear Regulatory Commission (NRC), and while the concentration of the finer-sized soil fraction less than a No. 4 mesh sieve contains the higher concentration of radioactivity, the bulk approach in effect integrates the total sample radioactivity over the entire sample mass. In locations where Th-230 has differentially migrated in subsoil relative to Ra-226, a Th-230 cleanup protocol has been developed in accordance with Supplemental Standard provisions of 40 CFR 192 for NRC/Colorado Department of Health (CDH) approval for timely implementation. Detailed elements of the protocol are contained in Appendix A, Generic Protocol from Thorium-230 Cleanup/Verification at UMTRA Project Processing Sites. The cleanup of other radionuclides or nonradiological hazards that pose a significant threat to the public and the environment will be determined and implemented in accordance with pathway analysis to assess impacts and the implications of ALARA specified in 40 CFR 192 relative to supplemental standards.

  19. Grand LAgrangian Deployment (GLAD): Surface Dispersion Characteristics Near the Deepwater Horizon Oil Spill Site

    Science.gov (United States)

    Ozgokmen, Tamay; Poje, Andrew; Lipphardt, Bruce, Jr.; Haza, Angelique; Haus, Brian; Jacobs, Gregg; Reniers, Ad; Olascoaga, Josefina; Ryan, Edward; Novelli, Guillaume; Kirwan, Albert, Jr.; Griffa, Annalisa; Chen, Shuyi; Hogan, Pat

    2013-04-01

    Initial dispersion, residence time, and advective pathway results obtained from the nearly simultaneous deployment of some 300 surface drifters in the vicinity of the DwH oil spill in the DeSoto Canyon are reported. The goal of the GLAD experiment was to characterize, with unprecedented statistical significance, multi-point and multi-scale dispersion properties of the flow in the region of the DwH spill site including demarcation of the advective pathways between the Canyon and larger-scale flow features in the Gulf. Both the absolute and relative dispersion of surface drifters was quite slow for those drifters initialized within the Missippippi River Outflow. For the initial time period considered, drifter motion was characterized by large amplitude inertial motions, overall strong topographic control, and significant indications of interior control by frontal dynamics on 1-5 km scales. Very limited exchange, either across-shelf or with nearby mesoscale features, was observed and residence times in the Canyon typically exceeded one week with many drifters remaining there for more than 21 days.

  20. Surface and subsurface cleanup protocol for radionuclides, Gunnison, Colorado, UMTRA project processing site

    International Nuclear Information System (INIS)

    1993-09-01

    Surface and subsurface soil cleanup protocols for the Gunnison, Colorado, processing sits are summarized as follows: In accordance with EPA-promulgated land cleanup standards (40 CFR 192), in situ Ra-226 is to be cleaned up based on bulk concentrations not exceeding 5 and 15 pCi/g in 15-cm surface and subsurface depth increments, averaged over 100-m 2 grid blocks, where the parent Ra-226 concentrations are greater than, or in secular equilibrium with, the Th-230 parent. A bulk interpretation of these EPA standards has been accepted by the Nuclear Regulatory Commission (NRC), and while the concentration of the finer-sized soil fraction less than a No. 4 mesh sieve contains the higher concentration of radioactivity, the bulk approach in effect integrates the total sample radioactivity over the entire sample mass. In locations where Th-230 has differentially migrated in subsoil relative to Ra-226, a Th-230 cleanup protocol has been developed in accordance with Supplemental Standard provisions of 40 CFR 192 for NRC/Colorado Department of Health (CDH) approval for timely implementation. Detailed elements of the protocol are contained in Appendix A, Generic Protocol from Thorium-230 Cleanup/Verification at UMTRA Project Processing Sites. The cleanup of other radionuclides or nonradiological hazards that pose a significant threat to the public and the environment will be determined and implemented in accordance with pathway analysis to assess impacts and the implications of ALARA specified in 40 CFR 192 relative to supplemental standards

  1. Surface Disturbances at the Punggye-ri Nuclear Test Site: Another Indicator of Nuclear Testing?

    Energy Technology Data Exchange (ETDEWEB)

    Pabian, Frank V. [Los Alamos National Laboratory; Coblentz, David [Los Alamos National Laboratory

    2017-02-03

    A review of available very high-resolution commercial satellite imagery (bracketing the time of North Korea’s most recent underground nuclear test on 9 September 2016 at the Punggye-ri Underground Nuclear Test Site) has led to the detection and identification of several minor surface disturbances on the southern flank of Mt. Mantap. These surface disturbances occur in the form of small landslides, either alone or together with small zones of disturbed bare rock that appear to have been vertically lofted (“spalled”) as a result of the most recent underground explosion. Typically, spall can be uniquely attributed to underground nuclear testing and is not a result of natural processes. However, given the time gap of up to three months between images (pre- and post-event), which was coincident with a period of heavy typhoon flooding in the area1, it is not possible to determine whether the small landslides were exclusively explosion induced, the consequence of heavy rainfall erosion, or some combination of the two.

  2. Closure Report for Corrective Action Unit 300: Surface Release Areas Nevada Test Site, Nevada

    International Nuclear Information System (INIS)

    NSTec Environmental Restoration

    2007-01-01

    Corrective Action Unit (CAU) 300 is located in Areas 23, 25, and 26 of the Nevada Test Site, which is located approximately 65 miles northwest of Las Vegas, Nevada. CAU 300 is listed in the Federal Facility Agreement and Consent Order of 1996 as Surface Release Areas and is comprised of the following seven Corrective Action Sites (CASs), which are associated with the identified Building (Bldg): (sm b ullet) CAS 23-21-03, Bldg 750 Surface Discharge (sm b ullet) CAS 23-25-02, Bldg 750 Outfall (sm b ullet) CAS 23-25-03, Bldg 751 Outfall (sm b ullet) CAS 25-60-01, Bldg 3113A Outfall (sm b ullet) CAS 25-60-02, Bldg 3901 Outfall (sm b ullet) CAS 25-62-01, Bldg 3124 Contaminated Soil (sm b ullet) CAS 26-60-01, Bldg 2105 Outfall and Decon Pad The Nevada Division of Environmental Protection (NDEP)-approved corrective action alternative for CASs 23-21-03, 23-25-02, and 23-25-03 is no further action. As a best management practice, approximately 48 feet of metal piping was removed from CAS 23-25-02 and disposed of as sanitary waste. The NDEP-approved corrective action alternative for CASs 25-60-01, 25-60-02, 25-62-01, and 26-60-01, is clean closure. Closure activities for these CASs included removing and disposing of soil impacted with total petroleum hydrocarbons-diesel range organics (TPH-DRO), polychlorinated biphenyls (PCBs), semivolatile organic compounds (SVOCs), and cesium (Cs)-137, concrete impacted with TPH-DRO, and associated piping impacted with TPH-DRO. CAU 300 was closed in accordance with the NDEP-approved CAU 300 Corrective Action Plan (CAP) (U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office [NNSA/NSO], 2006). The closure activities specified in the CAP were based on the recommendations presented in the CAU 300 Corrective Action Decision Document (NNSA/NSO, 2005). This Closure Report documents CAU 300 closure activities. During closure activities, approximately 40 cubic yards (yd3) of low-level waste consisting of TPH

  3. Closure Report for Corrective Action Unit 300: Surface Release Areas Nevada Test Site, Nevada

    Energy Technology Data Exchange (ETDEWEB)

    NSTec Environmental Restoration

    2007-07-01

    Corrective Action Unit (CAU) 300 is located in Areas 23, 25, and 26 of the Nevada Test Site, which is located approximately 65 miles northwest of Las Vegas, Nevada. CAU 300 is listed in the Federal Facility Agreement and Consent Order of 1996 as Surface Release Areas and is comprised of the following seven Corrective Action Sites (CASs), which are associated with the identified Building (Bldg): {sm_bullet} CAS 23-21-03, Bldg 750 Surface Discharge {sm_bullet} CAS 23-25-02, Bldg 750 Outfall {sm_bullet} CAS 23-25-03, Bldg 751 Outfall {sm_bullet} CAS 25-60-01, Bldg 3113A Outfall {sm_bullet} CAS 25-60-02, Bldg 3901 Outfall {sm_bullet} CAS 25-62-01, Bldg 3124 Contaminated Soil {sm_bullet} CAS 26-60-01, Bldg 2105 Outfall and Decon Pad The Nevada Division of Environmental Protection (NDEP)-approved corrective action alternative for CASs 23-21-03, 23-25-02, and 23-25-03 is no further action. As a best management practice, approximately 48 feet of metal piping was removed from CAS 23-25-02 and disposed of as sanitary waste. The NDEP-approved corrective action alternative for CASs 25-60-01, 25-60-02, 25-62-01, and 26-60-01, is clean closure. Closure activities for these CASs included removing and disposing of soil impacted with total petroleum hydrocarbons-diesel range organics (TPH-DRO), polychlorinated biphenyls (PCBs), semivolatile organic compounds (SVOCs), and cesium (Cs)-137, concrete impacted with TPH-DRO, and associated piping impacted with TPH-DRO. CAU 300 was closed in accordance with the NDEP-approved CAU 300 Corrective Action Plan (CAP) (U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office [NNSA/NSO], 2006). The closure activities specified in the CAP were based on the recommendations presented in the CAU 300 Corrective Action Decision Document (NNSA/NSO, 2005). This Closure Report documents CAU 300 closure activities. During closure activities, approximately 40 cubic yards (yd3) of low-level waste consisting of TPH-DRO-, PCB

  4. Simulation and preparation of surface EVA in reduced gravity at the Marseilles Bay subsea analogue sites

    Science.gov (United States)

    Weiss, P.; Gardette, B.; Chirié, B.; Collina-Girard, J.; Delauze, H. G.

    2012-12-01

    Extravehicular activity (EVA) of astronauts during space missions is simulated nowadays underwater in neutral buoyancy facilities. Certain aspects of weightlessness can be reproduced underwater by adding buoyancy to a diver-astronaut, therefore exposing the subject to the difficulties of working without gravity. Such tests were done at the COMEX' test pool in Marseilles in the 1980s to train for a French-Russian mission to the MIR station, for the development of the European HERMES shuttle and the COLUMBUS laboratory. However, space agencies are currently studying missions to other destinations than the International Space Station in orbit, such as the return to the Moon, NEO (near-Earth objects) or Mars. All these objects expose different gravities: Moon has one sixth of Earth's gravity, Mars has a third of Earth's gravity and asteroids have virtually no surface gravity; the astronaut "floats" above the ground. The preparation of such missions calls for a new concept in neutral buoyancy training, not on man-made structures, but on natural terrain, underwater, to simulate EVA operations such as sampling, locomotion or even anchoring in low gravity. Underwater sites can be used not only to simulate the reduced gravity that astronauts will experience during their field trips, also human factors like stress are more realistically reproduced in such environment. The Bay of Marseille hosts several underwater sites that can be used to simulate various geologic morphologies, such as sink-holes which can be used to simulate astronaut descends into craters, caves where explorations of lava tubes can be trained or monolithic rock structures that can be used to test anchoring devices (e.g., near Earth objects). Marseilles with its aerospace and maritime/offshore heritage hosts the necessary logistics and expertise that is needed to perform such simulations underwater in a safe manner (training of astronaut-divers in local test pools, research vessels, subsea robots and

  5. A recyclable Au(I) catalyst for selective homocoupling of arylboronic acids: significant enhancement of nano-surface binding for stability and catalytic activity.

    Science.gov (United States)

    Zhang, Xin; Zhao, Haitao; Wang, Jianhui

    2010-08-01

    Au nanoparticles stabilized by polystyrene-co-polymethacrylic acid microspheres (PS-co-PMAA) were prepared and characterized via X-ray diffraction (XRD), and transmission electron microscope (TEM). The Au nanoparticles supported on the microspheres showed highly selective catalytic activity for homo-coupling reactions of arylboronic acids in a system of aryl-halides and arylboronic acids. X-ray photoelectron spectroscopy (XPS) spectra of the catalyst shows large amounts of Au(I) complexes band to the surface of the Au nanoparticles, which contributes to the selective homocoupling of the arylboronic acids. More importantly, this supported Au complex is a highly recyclable catalyst. The supported Au catalyst can be recycled and reused at least 6 times for a phenylboronic acid reactant, whereas the parent complex shows very low catalytic activity for this compound. The high catalytic activity of this material is attributed to: (1) the high surface to volume ratio which leads to more active sites being exposed to reactants; (2) the strong surface binding of the Au nanoparticle to the Au(I) complexes, which enhances both the stability and the catalytic activity of these complexes.

  6. GIS surface effects archive of underground nuclear detonations conducted at Yucca Flat and Pahute Mesa, Nevada Test Site, Nevada

    International Nuclear Information System (INIS)

    Grasso, D.N.

    2001-01-01

    This report presents a new comprehensive, digital archive of more than 40 years of geologic surface effects maps produced at individual detonation sites throughout the Yucca Flat and Pahute Mesa nuclear testing areas of the Nevada Test Site, Nye County, Nevada. The Geographic Information System (GIS) surface effects map archive on CD-ROM (this report) comprehensively documents the surface effects of underground nuclear detonations conducted at two of the most extensively used testing areas of the Nevada Test Site. Between 1951 and 1992, numerous investigators of the U.S. Geological Survey, the Los Alamos National Laboratory, the Lawrence Livermore National Laboratory, and the Defense Threat Reduction Agency meticulously mapped the surface effects caused by underground nuclear testing. Their work documented the effects of more than seventy percent of the underground nuclear detonations conducted at Yucca Flat and all of the underground nuclear detonations conducted at Pahute Mesa

  7. Chemistry data from surface ecosystems in Forsmark and Laxemar-Simpevarp. Site specific data used for estimation of CR and Kd values in SR-Site

    International Nuclear Information System (INIS)

    Troejbom, Mats; Norden, Sara

    2010-11-01

    This report is a background report for the biosphere analysis of the SR-Site Safety Assessment. This work aims to compile information from the Forsmark and Laxemar-Simpevarp sites in order to select and provide relevant site data for parameter sed in the Radionuclide Dose Model. This report contains an overview of all available chemistry data from the surface ecosystems at Forsmark and Laxemar-Simpevarp areas, comprising hydrochemistry of shallow groundwater, porewater, lake water, stream water and sea water as well as the chemical composition of the regolith and biota of the terrestrial, limnic and marine ecosystems. Detailed references to data reports are tabulated and all sampling points are shown in a large number of maps in Chapter 2. An explorative analysis in Chapter 3 is the basis for the final selection of site data described in Chapter 4

  8. Effect of soil erosion on the long-term stability of FUSRAP near-surface waste-burial sites

    International Nuclear Information System (INIS)

    Knight, M.J.

    1983-04-01

    Decontamination of FUSRAP sites could result in the generation of large volumes (in excess of 400,000 m 3 ) of low-activity radioactive wastes (primarily contaminated soil and building materials) requiring subsequent disposal. It is likely that near-surface burial will be seriously considered as an option for disposal of these materials. A number of factors - including soil erosion - could adversely affect the long-term stability of a near-surface waste-burial site. The majority of FUSRAP sites are located in the humid eastern United States, where the principal cause of erosion is the action of water. This report examines the effect of soil erosion by water on burial-site stability based on analysis of four hypothetical near-surface burial sites. The Universal Soil Loss Equation was employed to estimate average annual soil loss from burial sites and the 1000-year effects of soil loss on the soil barrier (burial trench cap) placed over low-activity wastes. Results suggest that the land use of the burial site and the slope gradient of the burial trench cap significantly affect the rate of soil erosion. The development of measures limiting the potential land use of a burial site (e.g., mixing large rocks into the burial trench cap) may be required to preserve the integrity of a burial trench for long periods of time

  9. Meteorologically-adjusted trend analysis of surface observed ozone at three monitoring sites in Delhi, India: 2007-2011

    Science.gov (United States)

    Biswas, J.; Farooqui, Z.; Guttikunda, S. K.

    2012-12-01

    It is well known that meteorological parameters have significant impact on surface ozone concentrations. Therefore it is important to remove the effects of meteorology on ozone concentrations to correctly estimate long-term trends in ozone levels due to the alterations in precursor emissions. This is important for the development of effectual control strategies. In this study surface observed ozone trends in New Delhi are analyzed using Komogorov-Zurbenko (KZ) filter, US EPA ozone adjustment due to weather approach and the classification and regression tree method. The statistical models are applied to the ozone data at three observational sites in New Delhi metropolitan areas, 1) Income Tax Office (ITO) 2) Sirifort and 3) Delhi College of Engineering (DCE). The ITO site is located adjacent to a traffic crossing, Sirifort is an urban site and the DCE site is located in a residential area. The ITO site is also influenced by local industrial emissions. DCE has higher ozone levels than the other two sites. It was found that ITO has lowest ozone concentrations amongst the three sites due to ozone titrating due to industrial and on-road mobile NOx emissions. The statistical methods employed can assess ozone trends at these sites with a high degree of confidence and the results can be used to gauge the effectiveness of control strategies on surface ozone levels in New Delhi.

  10. Fabrication of superhydrophobic surfaces via CaCO3 mineralization mediated by poly(glutamic acid)

    Science.gov (United States)

    Cao, Heng; Yao, Jinrong; Shao, Zhengzhong

    2013-03-01

    Surfaces with micrometer and nanometer sized hierarchical structures were fabricated by an one-step in situ additive controlled CaCO3 mineralization method. After chemical modification, the surfaces with various morphologies showed superhydrophobicity in different states, which could be easily adjusted by the initial supersaturation of the mineralization solution (concentration of calcium ion and poly(glutamic acid)). Generally, the "lotus state" surface which was covered by a thick layer of tetrahedron-shaped CaCO3 particles to exhibit a contact angle (CA) of 157±1° and a very low contact angle hysteresis (CAH) (roll-off angle=1°) was produced under high supersaturation. On the other hands, the petal-like surface with flower-shaped calcite spherulites was obtained in a relative low supersaturation, which showed both high CA (156±2°) and CAH (180°) in a "Cassie impregnating wetting state".

  11. Modeling Groundwater-Surface Water Interaction and Contaminant Transport of Chlorinated Solvent Contaminated Site

    Science.gov (United States)

    Yimer Ebrahim, Girma; Jonoski, Andreja; van Griensven, Ann; Dujardin, Juliette; Baetelaan, Okke; Bronders, Jan

    2010-05-01

    Chlorinated-solvent form one of the largest groups of environmental chemicals. Their use and misuse in industry have lead to a large entry of these chemicals into the environment, resulting in widespread dissemination and oftentimes environmental contamination. Chlorinated solvent contamination of groundwater resources has been widely reported. For instance, there has been much interest in the assessment of these contaminant levels and their evolutions with time in the groundwater body below the Vilvoorde-Machelen industrial area (Belgium). The long industrial history of the area has lead to complex patterns of pollution from multiple sources and the site has been polluted to the extent that individual plumes are not definable any more. Understanding of groundwater/surface water interaction is a critical component for determining the fate of contaminant both in streams and ground water due to the fact that groundwater and surface water are in continuous dynamic interaction in the hydrologic cycle. The interaction has practical consequences in the quantity and quality of water in either system in the sense that depletion and/or contamination of one of the system will eventually affect the other one. The transition zone between a stream and its adjacent aquifer referred to as the hyporheic zone plays a critical role in governing contaminant exchange and transformation during water exchange between the two water bodies. The hyporheic zone of Zenne River ( the main receptor ) is further complicated due to the fact that the river banks are artificially trained with sheet piles along its reach extending some 12 m below the surface. This study demonstrates the use of MODFLOW, a widely used modular three-dimensional block-centred finite difference, saturated flow model for simulating the flow and direction of movement of groundwater through aquifer and stream-aquifer interaction and the use of transport model RT3D, a three-dimensional multi-species reactive transport model

  12. Dynamic HypA zinc site is essential for acid viability and proper urease maturation in Helicobacter pylori.

    Science.gov (United States)

    Johnson, Ryan C; Hu, Heidi Q; Merrell, D Scott; Maroney, Michael J

    2015-04-01

    Helicobacter pylori requires urease activity in order to survive in the acid environment of the human stomach. Urease is regulated in part by nickelation, a process that requires the HypA protein, which is a putative nickel metallochaperone that is generally associated with hydrogenase maturation. However, in H. pylori, HypA plays a dual role. In addition to an N-terminal nickel binding site, HypA proteins also contain a structural zinc site that is coordinated by two rigorously conserved CXXC sequences, which in H. pylori are flanked by His residues. These structural Zn sites are known to be dynamic, converting from Zn(Cys)4 centers at pH 7.2 to Zn(Cys)2(His)2 centers at pH 6.3 in the presence of Ni(ii) ions. In this study, mutant strains of H. pylori that express zinc site variants of the HypA protein are used to show that the structural changes in the zinc site are important for the acid viability of the bacterium, and that a reduction in acid viability in these variants can be traced in large measure to deficient urease activity. This in turn leads to a model that connects the Zn(Cys)4 coordination to urease maturation.

  13. New insight into photo-bromination processes in saline surface waters: The case of salicylic acid

    Energy Technology Data Exchange (ETDEWEB)

    Tamtam, Fatima; Chiron, Serge, E-mail: serge.chiron@msem.univ-montp2.fr

    2012-10-01

    It was shown, through a combination of field and laboratory observations, that salicylic acid can undergo photo-bromination reactions in sunlit saline surface waters. Laboratory-scale experiments revealed that the photochemical yields of 5-bromosalicylic acid and 3,5-dibromosalicylic acid from salicylic acid were always low (in the 4% range at most). However, this might be of concern since these compounds are potential inhibitors of the 20{alpha}-hydroxysteroid dehydrogenase enzyme, with potential implications in endocrine disruption processes. At least two mechanisms were involved simultaneously to account for the photo-generation of brominated substances. The first one might involve the formation of reactive brominated radical species (Br{center_dot}, Br{sub 2}{center_dot}{sup -}) through hydroxyl radical mediated oxidation of bromide ions. These ions reacted more selectively than hydroxyl radicals with electron-rich organic pollutants such as salicylic acid. The second one might involve the formation of hypobromous acid, through a two electron oxidation of bromine ions by peroxynitrite. This reaction was catalyzed by nitrite, since these ions play a crucial role in the formation of nitric oxide upon photolysis. This nitric oxide further reacts with superoxide radical anions to yield peroxynitrite and by ammonium through the formation of N-bromoamines, probably due to the ability of N-bromoamines to promote the aromatic bromination of phenolic compounds. Field measurements revealed the presence of salicylic acid together with 5-bromosalicylic and 3,5-dibromosalicylic acid in a brackish coastal lagoon, thus confirming the environmental significance of the proposed photochemically induced bromination pathways. -- Highlights: Black-Right-Pointing-Pointer Brominated derivatives of salicylic acid were detected in a brackish lagoon. Black-Right-Pointing-Pointer A photochemical pathway was hypothesized to account for bromination of salicylic acid. Black

  14. Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities

    Energy Technology Data Exchange (ETDEWEB)

    Rahmani, Farzin; Nouranian, Sasan, E-mail: sasan@olemiss.edu; Mahdavi, Mina [University of Mississippi, Department of Chemical Engineering (United States); Al-Ostaz, Ahmed [University of Mississippi, Department of Civil Engineering (United States)

    2016-11-15

    In this fundamental study, a series of molecular dynamics simulations were performed in vacuo to investigate the energetics and select geometries of 20 standard amino acids (AAs) on pristine graphene (PG) and graphene oxide (GO) surfaces as a function of graphene surface oxygen density. These interactions are of key interest to graphene/biomolecular systems. Our results indicate that aromatic AAs exhibit the strongest total interactions with the PG surfaces due to π-π stacking. Tryptophan (Trp) has the highest aromaticity due to its indole side chain and, hence, has the strongest interaction among all AAs (−16.66 kcal/mol). Aliphatic, polar, and charged AAs show various levels of affinity to the PG sheets depending on the strength of their side chain hydrophobic interactions. For example, arginine (Arg) with its guanidinium side chain exhibits the strongest interaction with the PG sheets (−13.81 kcal/mol) following aromatic AAs. Also, glycine (Gly; a polar AA) has the weakest interaction with the PG sheets (−7.29 kcal/mol). When oxygen-containing functional groups are added to the graphene sheets, the π-π stacking in aromatic AAs becomes disrupted and perfect parallelism of the aromatic rings is lost. Moreover, hydrogen bonding and/or electrostatic interactions become more pronounced. Charged AAs exhibit the strongest interactions with the GO surfaces. In general, the AA-GO interactions increase with increasing surface oxygen density, and the effect is more pronounced at higher O/C ratios. This study provides a quantitative measure of AA-graphene interactions for the design and tuning of biomolecular systems suitable for biosensing, drug delivery, and gene delivery applications.

  15. Surface characterisation of ethylene-propylene-diene rubber upon exposure to aqueous acidic solution

    DEFF Research Database (Denmark)

    Mitra, S.; Ghanbari-Siahkali, Afshin; Kingshott, P.

    2006-01-01

    but significantly different with respect to molar mass and the presence of long chain branching. Both rubbers contained 5-ethylidene-2-norbomene (ENB) as diene. Solution cast films of pure EPDM samples were exposed in two different acidic solutions, viz. chromosulphuric (Cr (VI)/H2SO4) and sulphuric acid (H2SO4....... Furthermore, 20% Cr (VI)/H2SO4 also attacked the allylic carbon-hydrogen (C-H) bonds of ENB resulting in more oxygenated species on the surface compared to 20% H2SO4 under identical conditions. Cr (VI) in the 20% Cr (VI)/H2SO4 was found to play an important role in alteration of surface chemistry. Studies...

  16. Surface functionalisation of polypropylene hernia-repair meshes by RF-activated plasma polymerisation of acrylic acid and silver nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Nisticò, Roberto, E-mail: roberto.nistico@unito.it [University of Torino, Department of Chemistry and NIS Research Centre, Via P. Giuria 7, 10125 Torino (Italy); Rosellini, Andrea [University of Torino, Department of Chemistry and NIS Research Centre, Via P. Giuria 7, 10125 Torino (Italy); Rivolo, Paola [Politecnico di Torino, Dipartimento di Scienza Applicata e Tecnologia, C.so Duca degli Abruzzi 24, 10129 Torino (Italy); Faga, Maria Giulia [CNR-IMAMOTER, Strada delle Cacce 73, 10135 Torino (Italy); Lamberti, Roberta; Martorana, Selanna [Herniamesh S.r.l., Via F.lli Meliga 1/C, 10034 Chivasso (Italy); Castellino, Micaela [Center for Space Human Robotics, Istituto Italiano di Tecnologia, Corso Trento 21, 10129 Torino (Italy); Virga, Alessandro; Mandracci, Pietro [Politecnico di Torino, Dipartimento di Scienza Applicata e Tecnologia, C.so Duca degli Abruzzi 24, 10129 Torino (Italy); Malandrino, Mery; Magnacca, Giuliana [University of Torino, Department of Chemistry and NIS Research Centre, Via P. Giuria 7, 10125 Torino (Italy)

    2015-02-15

    Graphical abstract: - Highlights: • Polypropylene meshes for hernioplasty were surface functionalised via plasma-polymerisation to confer adhesive properties. • Subsequently, silver nanoparticles were loaded to add antibacterial activity. • Materials were physico-chemical characterised and adhesive properties evaluated. - Abstract: Hernia diseases are among the most common and diffuse causes of surgical interventions. Unfortunately, still nowadays there are different phenomena which can cause the hernioplasty failure, for instance post-operative prostheses displacements and proliferation of bacteria in the surgical site. In order to limit these problems, commercial polypropylene (PP) and polypropylene/Teflon (PP/PTFE) bi-material meshes were surface functionalised to confer adhesive properties (and therefore reduce undesired displacements) using polyacrylic acid synthesized by plasma polymerisation (PPAA). A broad physico-chemical and morphological characterisation was carried out and adhesion properties were investigated by means of atomic force microscopy (AFM) used in force/distance (F/D) mode. Once biomedical devices surface was functionalised by PPAA coating, metallic silver nanoparticles (AgNPs) with antimicrobial properties were synthesised and loaded onto the polymeric prostheses. The effect of the PPAA, containing carboxylic functionalities, adhesive coating towards AgNPs loading capacity was verified by means of X-ray photoelectron spectroscopy (XPS). Preliminary measurement of the Ag loaded amount and release in water were also investigated via inductively coupled plasma atomic emission spectroscopy (ICP-AES). Promising results were obtained for the functionalised biomaterials, encouraging future in vitro and in vivo tests.

  17. Effect of glutamic acid on copper sorption onto kaolinite. Batch experiments and surface complexation modeling

    Energy Technology Data Exchange (ETDEWEB)

    Karimzadeh, Lotfallah; Barthen, Robert; Gruendig, Marion; Franke, Karsten; Lippmann-Pipke, Johanna [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Reactive Transport; Stockmann, Madlen [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes

    2017-06-01

    In this work, we study the mobility behavior of Cu(II) under conditions related to an alternative, neutrophile biohydrometallurgical Cu(II) leaching approach. Sorption of copper onto kaolinite influenced by glutamic acid (Glu) was investigated in the presence of 0.01 M NaClO{sub 4} by means of binary and ternary batch adsorption measurements over a pH range of 4 to 9 and surface complexation modeling.

  18. Effect of glutamic acid on copper sorption onto kaolinite. Batch experiments and surface complexation modeling

    International Nuclear Information System (INIS)

    Karimzadeh, Lotfallah; Barthen, Robert; Gruendig, Marion; Franke, Karsten; Lippmann-Pipke, Johanna; Stockmann, Madlen

    2017-01-01

    In this work, we study the mobility behavior of Cu(II) under conditions related to an alternative, neutrophile biohydrometallurgical Cu(II) leaching approach. Sorption of copper onto kaolinite influenced by glutamic acid (Glu) was investigated in the presence of 0.01 M NaClO_4 by means of binary and ternary batch adsorption measurements over a pH range of 4 to 9 and surface complexation modeling.

  19. Impact of Surface Potential on Apatite Formation in Ti Alloys Subjected to Acid and Heat Treatments.

    Science.gov (United States)

    Yamaguchi, Seiji; Hashimoto, Hideki; Nakai, Ryusuke; Takadama, Hiroaki

    2017-09-24

    Titanium metal (Ti) and its alloys are widely used in orthopedic and dental fields. We have previously shown that acid and heat treatment was effective to introduce bone bonding, osteoconduction and osteoinduction on pure Ti. In the present study, acid and heat treatment with or without initial NaOH treatment was performed on typical Ti-based alloys used in orthopedic and dental fields. Dynamic movements of alloying elements were developed, which depended on the kind of treatment and type of alloy. It was found that the simple acid and heat treatment enriched/remained the alloying elements on Ti-6Al-4V, Ti-15Mo-5Zr-3Al and Ti-15Zr-4Nb-4Ta, resulting in neutral surface charges. Thus, the treated alloys did not form apatite in a simulated body fluid (SBF) within 3 days. In contrast, when the alloys were subjected to a NaOH treatment prior to an acid and heat treatment, alloying elements were selectively removed from the alloy surfaces. As a result, the treated alloys became positively charged, and formed apatite in SBF within 3 days. Thus, the treated alloys would be useful in orthopedic and dental fields since they form apatite even in a living body and bond to bone.

  20. Biodegradable polyester films from renewable aleuritic acid: surface modifications induced by melt-polycondensation in air

    International Nuclear Information System (INIS)

    Benítez, José Jesús; De Vargas-Parody, María Inmaculada; Cruz-Carrillo, Miguel Antonio; Heredia-Guerrero, José Alejandro; Morales-Flórez, Victor; De la Rosa-Fox, Nicolás; Heredia, Antonio

    2016-01-01

    Good water barrier properties and biocompatibility of long-chain biopolyesters like cutin and suberin have inspired the design of synthetic mimetic materials. Most of these biopolymers are made from esterified mid-chain functionalized ω-long chain hydroxyacids. Aleuritic (9,10,16-trihydroxypalmitic) acid is such a polyhydroxylated fatty acid and is also the major constituent of natural lac resin, a relatively abundant and renewable resource. Insoluble and thermostable films have been prepared from aleuritic acid by melt-condensation polymerization in air without catalysts, an easy and attractive procedure for large scale production. Intended to be used as a protective coating, the barrier's performance is expected to be conditioned by physical and chemical modifications induced by oxygen on the air-exposed side. Hence, the chemical composition, texture, mechanical behavior, hydrophobicity, chemical resistance and biodegradation of the film surface have been studied by attenuated total reflection–Fourier transform infrared spectroscopy (ATR–FTIR), atomic force microscopy (AFM), nanoindentation and water contact angle (WCA). It has been demonstrated that the occurrence of side oxidation reactions conditions the surface physical and chemical properties of these polyhydroxyester films. Additionally, the addition of palmitic acid to reduce the presence of hydrophilic free hydroxyl groups was found to have a strong influence on these parameters. (paper)

  1. Response of surface water chemistry to reduced levels of acid precipitation: Comparison of trends in two regions of New York, USA

    Science.gov (United States)

    Burns, Douglas A.; McHale, M.R.; Driscoll, C.T.; Roy, K.M.

    2006-01-01

    In light of recent reductions in sulphur (S) and nitrogen (N) emissions mandated by Title IV of the Clean Air Act Amendments of 1990, temporal trends and trend coherence in precipitation (1984-2001 and 1992-2001) and surface water chemistry (1992-2001) were determined in two of the most acid-sensitive regions of North America, i.e. the Catskill and Adirondack Mountains of New York. Precipitation chemistry data from six sites located near these regions showed decreasing sulphate (SO42-), nitrate (NO3-), and base cation (CB) concentrations and increasing pH during 1984-2001, but few significant trends during 1992-2001. Data from five Catskill streams and 12 Adirondack lakes showed decreasing trends in SO42- concentrations at all sites, and decreasing trends in NO3-, CB, and H+ concentrations and increasing trends in dissolved organic carbon at most sites. In contrast, acid-neutralizing capacity (ANC increased significantly at only about half the Adirondack lakes and in one of the Catskill streams. Flow correction prior to trend analysis did not change any trend directions and had little effect on SO42- trends, but it caused several significant non-flow-corrected trends in NO3- and ANC to become non-significant, suggesting that trend results for flow-sensitive constituents are affected by flow-related climate variation. SO42- concentrations showed high temporal coherence in precipitation, surface waters, and in precipitation-surface water comparisons, reflecting a strong link between S emissions, precipitation SO42- concentrations, and the processes that affect S cycling within these regions. NO3- and H+ concentrations and ANC generally showed weak coherence, especially in surface waters and in precipitation-surface water comparisons, indicating that variation in local-scale processes driven by factors such as climate are affecting trends in acid-base chemistry in these two regions. Copyright ?? 2005 John Wiley & Sons, Ltd.

  2. Difference in radiocarbon ages of carbonized material from the inner and outer surfaces of pottery from a wetland archaeological site.

    Science.gov (United States)

    Miyata, Yoshiki; Minami, Masayo; Onbe, Shin; Sakamoto, Minoru; Matsuzaki, Hiroyuki; Nakamura, Toshio; Imamura, Mineo

    2011-01-01

    AMS (Accelerator Mass Spectrometry) radiocarbon dates for eight potsherds from a single piece of pottery from a wetland archaeological site indicated that charred material from the inner pottery surfaces (5052 ± 12 BP; N = 5) is about 90 (14)C years older than that from the outer surfaces (4961 ± 22 BP; N = 7). We considered three possible causes of this difference: the old wood effect, reservoir effects, and diagenesis. We concluded that differences in the radiocarbon ages between materials from the inner and outer surfaces of the same pot were caused either by the freshwater reservoir effect or by diagenesis. Moreover, we found that the radiocarbon ages of carbonized material on outer surfaces (soot) of pottery from other wetland archaeological sites were the same as the ages of material on inner surfaces (charred food) of the same pot within error, suggesting absence of freshwater reservoir effect or diagenesis.

  3. Effects of acid treatment on the clay palygorskite: XRD, surface area, morphological and chemical composition

    Energy Technology Data Exchange (ETDEWEB)

    Xavier, Katiane Cruz Magalhaes; Santos, Maria do Socorro Ferreira dos; Santos, Maria Rita Morais Chaves; Oliveira, Marilia Evelyn Rodrigues; Osajima, Josy Antevelli; Silva Filho, Edson Cavalcanti da [Universidade Federal do Piaui (UFPI), Teresina, PI (Brazil); Carvalho, Maria Wilma Nunes Cordeiro, E-mail: edsonfilho@ufpi.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil)

    2014-08-15

    The palygorskite is an aluminum-magnesium silicate that has a fibrous morphology. Their physicochemical characteristics are the result of high surface area, porosity and thermal resistance which make it an attractive adsorbent. Its adsorption capacity can be increased through chemical reactions and/or heat treatments. The objective of this work is to verify the effects of acid activation on the palygorskite, treated with HCl at 90 °C at concentrations of 2, 4 and 6 mol L{sup -1} in 2 and 4 hours, with clay/acid solution ratio 1 g 10 mL{sup -1} and characterized by techniques: XRF, XRD and surface area. A significant increase in specific surface area was observed in the sample treated with HCl at the concentration 6 mol L{sup -1}. The changes were more pronounced at stricter concentrations of acidity, with decreasing intensity of reflection of the clay indicated in the XRD. These changes were confirmed in the XRF with the leaching of some oxides and with increasing concentration of SiO{sub 2}. (author)

  4. A Novel Fiber Optic Surface Plasmon Resonance Biosensors with Special Boronic Acid Derivative to Detect Glycoprotein

    Directory of Open Access Journals (Sweden)

    Yang Zhang

    2017-10-01

    Full Text Available We proposed and demonstrated a novel tilted fiber Bragg grating (TFBG-based surface plasmon resonance (SPR label-free biosensor via a special boronic acid derivative to detect glycoprotein with high sensitivity and selectivity. TFBG, as an effective sensing element for optical sensing in near-infrared wavelengths, possess the unique capability of easily exciting the SPR effect on fiber surface which coated with a nano-scale metal layer. SPR properties can be accurately detected by measuring the variation of transmitted spectra at optical communication wavelengths. In our experiment, a 10° TFBG coated with a 50 nm gold film was manufactured to stimulate SPR on a sensor surface. To detect glycoprotein selectively, the sensor was immobilized using designed phenylboronic acid as the recognition molecule, which can covalently bond with 1,2- or 1,3-diols to form five- or six-membered cyclic complexes for attaching diol-containing biomolecules and proteins. The phenylboronic acid was synthetized with long alkyl groups offering more flexible space, which was able to improve the capability of binding glycoprotein. The proposed TFBG-SPR sensors exhibit good selectivity and repeatability with a protein concentration sensitivity up to 2.867 dB/ (mg/mL and a limit of detection (LOD of 15.56 nM.

  5. Exceptionally crystalline and conducting acid doped polyaniline films by level surface assisted solution casting approach

    Energy Technology Data Exchange (ETDEWEB)

    Puthirath, Anand B.; Varma, Sreekanth J.; Jayalekshmi, S., E-mail: jayalekshmi@cusat.ac.in [Division for Research in Advanced Materials, Department of Physics, Cochin University of Science and Technology, Cochin, Kerala 682022 (India); Methattel Raman, Shijeesh [Nanophotonic and Optoelectronic Devices Laboratory, Department of Physics, Cochin University of Science and Technology, Cochin, Kerala 682022 (India)

    2016-04-18

    Emeraldine salt form of polyaniline (PANI) was synthesized by chemical oxidative polymerisation method using ammonium persulfate as oxidant. Resultant emeraldine salt form of PANI was dedoped using ammonia solution and then re-doped with camphor sulphonic acid (CSA), naphthaline sulphonic acid (NSA), hydrochloric acid (HCl), and m-cresol. Thin films of these doped PANI samples were deposited on glass substrates using solution casting method with m-cresol as solvent. A level surface was employed to get homogeneous thin films of uniform thickness. Detailed X-ray diffraction studies have shown that the films are exceptionally crystalline. The crystalline peaks observed in the XRD spectra can be indexed to simple monoclinic structure. FTIR and Raman spectroscopy studies provide convincing explanation for the exceptional crystallinity observed in these polymer films. FESEM and AFM images give better details of surface morphology of doped PANI films. The DC electrical conductivity of the samples was measured using four point probe technique. It is seen that the samples also exhibit quite high DC electrical conductivity, about 287 S/cm for CSA doped PANI, 67 S/cm for NSA doped PANI 65 S/cm for HCl doped PANI, and just below 1 S/cm for m-cresol doped PANI. Effect of using the level surface for solution casting is studied and correlated with the observed crystallinity.

  6. Site-selective growth of surface-anchored metal-organic frameworks on self-assembled monolayer patterns prepared by AFM nanografting

    Directory of Open Access Journals (Sweden)

    Tatjana Ladnorg

    2013-10-01

    Full Text Available Surface anchored metal-organic frameworks, SURMOFs, are highly porous materials, which can be grown on modified substrates as highly oriented, crystalline coatings by a quasi-epitaxial layer-by-layer method (liquid-phase epitaxy, or LPE. The chemical termination of the supporting substrate is crucial, because the most convenient method for substrate modification is the formation of a suitable self-assembled monolayer. The choice of a particular SAM also allows for control over the orientation of the SURMOF. Here, we demonstrate for the first time the site-selective growth of the SURMOF HKUST-1 on thiol-based self-assembled monolayers patterned by the nanografting technique, with an atomic force microscope as a structuring tool. Two different approaches were applied: The first one is based on 3-mercaptopropionic acid molecules which are grafted in a 1-decanethiolate SAM, which serves as a matrix for this nanolithography. The second approach uses 16-mercaptohexadecanoic acid, which is grafted in a matrix of an 1-octadecanethiolate SAM. In both cases a site-selective growth of the SURMOF is observed. In the latter case the roughness of the HKUST-1 is found to be significantly higher than for the 1-mercaptopropionic acid. The successful grafting process was verified by time-of-flight secondary ion mass spectrometry and atomic force microscopy. The SURMOF structures grown via LPE were investigated and characterized by atomic force microscopy and Fourier-transform infrared microscopy.

  7. Site-selective growth of surface-anchored metal-organic frameworks on self-assembled monolayer patterns prepared by AFM nanografting

    Science.gov (United States)

    Ladnorg, Tatjana; Welle, Alexander; Heißler, Stefan; Wöll, Christof

    2013-01-01

    Summary Surface anchored metal-organic frameworks, SURMOFs, are highly porous materials, which can be grown on modified substrates as highly oriented, crystalline coatings by a quasi-epitaxial layer-by-layer method (liquid-phase epitaxy, or LPE). The chemical termination of the supporting substrate is crucial, because the most convenient method for substrate modification is the formation of a suitable self-assembled monolayer. The choice of a particular SAM also allows for control over the orientation of the SURMOF. Here, we demonstrate for the first time the site-selective growth of the SURMOF HKUST-1 on thiol-based self-assembled monolayers patterned by the nanografting technique, with an atomic force microscope as a structuring tool. Two different approaches were applied: The first one is based on 3-mercaptopropionic acid molecules which are grafted in a 1-decanethiolate SAM, which serves as a matrix for this nanolithography. The second approach uses 16-mercaptohexadecanoic acid, which is grafted in a matrix of an 1-octadecanethiolate SAM. In both cases a site-selective growth of the SURMOF is observed. In the latter case the roughness of the HKUST-1 is found to be significantly higher than for the 1-mercaptopropionic acid. The successful grafting process was verified by time-of-flight secondary ion mass spectrometry and atomic force microscopy. The SURMOF structures grown via LPE were investigated and characterized by atomic force microscopy and Fourier-transform infrared microscopy. PMID:24205458

  8. Gamma-aminobutyric acid-modulated benzodiazepine binding sites in bacteria

    International Nuclear Information System (INIS)

    Lummis, S.C.R.; Johnston, G.A.R.; Nicoletti, G.; Holan, G.

    1991-01-01

    Benzodiazepine binding sites, which were once considered to exist only in higher vertebrates, are here demonstrated in the bacteria E. coli. The bacterial [ 3 H]diazepam binding sites are modulated by GABA; the modulation is dose dependent and is reduced at high concentrations. The most potent competitors of E.Coli [ 3 H]diazepam binding are those that are active in displacing [ 3 H]benzodiazepines from vertebrate peripheral benzodiazepine binding sites. These vertebrate sites are not modulated by GABA, in contrast to vertebrate neuronal benzodiazepine binding sites. The E.coli benzodiazepine binding sites therefore differ from both classes of vertebrate benzodiazepine binding sites; however the ligand spectrum and GABA-modulatory properties of the E.coli sites are similar to those found in insects. This intermediate type of receptor in lower species suggests a precursor for at least one class of vertebrate benzodiazepine binding sites may have existed

  9. Revegetation of Acid Rock Drainage (ARD) Producing Slope Surface Using Phosphate Microencapsulation and Artificial Soil

    Science.gov (United States)

    Kim, Jae Gon

    2017-04-01

    Oxidation of sulfides produces acid rock drainage (ARD) upon their exposure to oxidation environment by construction and mining activities. The ARD causes the acidification and metal contamination of soil, surface water and groundwater, the damage of plant, the deterioration of landscape and the reduction of slope stability. The revegetation of slope surface is one of commonly adopted strategies to reduce erosion and to increase slope stability. However, the revegetation of the ARD producing slope surface is frequently failed due to its high acidity and toxic metal content. We developed a revegetation method consisting of microencapsualtion and artificial soil in the laboratory. The revegetation method was applied on the ARD producing slope on which the revegetation using soil coverage and seeding was failed and monitored the plant growth for one year. The phosphate solution was applied on sulfide containing rock to form stable Fe-phosphate mineral on the surface of sulfide, which worked as a physical barrier to prevent contacting oxidants such as oxygen and Fe3+ ion to the sulfide surface. After the microencapsulation, two artificial soil layers were constructed. The first layer containing organic matter, dolomite powder and soil was constructed at 2 cm thickness to neutralize the rising acidic capillary water from the subsurface and to remove the dissolved oxygen from the percolating rain water. Finally, the second layer containing seeds, organic matter, nutrients and soil was constructed at 3 cm thickness on the top. After application of the method, the pH of the soil below the artificial soil layer increased and the ARD production from the rock fragments reduced. The plant growth showed an ordinary state while the plant died two month after germination for the previous revegetation trial. No soil erosion occurred from the slope during the one year field test.

  10. One-step surface modification of poly(dimethylsiloxane) by undecylenic acid

    Science.gov (United States)

    Zhou, Jinwen; McInnes, Steven J. P.; Md Jani, Abdul Mutalib; Ellis, Amanda V.; Voelcker, Nicolas H.

    2008-12-01

    Poly(dimethylsiloxane) (PDMS) is a popular material for microfluidic devices due to its relatively low cost, ease of fabrication, oxygen permeability and optical transmission characteristics. However, its highly hydrophobic surface is still the main factor limiting its wide application, in particular as a material for biointerfaces. A simple and rapid method to form a relatively stable hydrophilised PDMS surface is reported in this paper. The PDMS surface was treated with pure undecylenic acid (UDA) for 10 min, 1 h and 1 day at 80 °C in a sealed container. The effects of the surface modification were investigated using water contact angle (WCA) measurements, Fourier transform infrared spectroscopy in attenuated total reflection mode (FTIR-ATR), and streaming zeta-potential analysis. The water contact angle of 1 day UDAmodified PDMS was found to decrease from that of native PDMS (110 °) to 75 °, demonstrating an increase in wettability of the surface. A distinctive peak at 1715 cm-1 in the FTIR-ATR spectra after UDA treatment was representative of carboxylation of the PDMS surface. The measured zeta-potential (ζ) at pH 4 changed from -27 mV for pure PDMS to -19 mV after UDA treatment. In order to confirm carboxylation of the surface visually, Lucifer Yellow CH fluorescence dye was reacted via a condensation reaction to the 1 day UDA modified PDMS surface. Fluorescent microscopy showed Lucifer Yellow CH fluorescence on the carboxylated surface, but not on the pure PDMS surface. Stability experiments were also performed showing that 1 day modified UDA samples were stable in both MilliQ water at 50 °C for 17 h, and in a desiccator at room temperature for 19.5 h.

  11. Element Content of Surface and Underground Water Sources around a Cement Factory Site in Calabar, Nigeria

    Directory of Open Access Journals (Sweden)

    Edmund Richard Egbe

    2017-01-01

    Full Text Available Background: Cement production is associated with heavy metal emissions and environmental pollution by cement dust. The degree of contamination of drinking water sources by major and trace elements present in cement dust generated by united cement factory (UNICEM is still uncertain. This study estimated the element content of ground and surface water samples (hand-dug wells, boreholes and streams around the factory site to determine the impact of cement dust exposure on the water levels of these elements. Methods: This study was conducted at UNICEM at Mfamosing, Akamkpa local government area, Cross River State, Nigeria. Drinking water samples (5 from each location were collected from the cement factory quarry site camp, 3 surrounding communities and Calabar metropolis (45 km away from factory serving as control. The lead (Pb, copper (Cu, manganes (Mn, iron (Fe, cadmium (Cd, selenium (Se, chromium (Cr, zinc (Zn and arsenic (As levels of samples were determined using Atomic Absorption Spectrometry (AAS. Data were analyzed using ANOVA and LSD post hoc at P = 0.05. Results: As and Pb content of samples from camp were above the WHO recommendations of 0.01mg/l and 0.01mg/l respectively. Chromium and cadmium content of all water samples were above and others below WHO recommendations. Water levels of Mn, Fe, Zn, As, Se, Cd, Ca and Si were significantly elevated (though below WHO recommendations in camp than other locations (P<0.05. Conclusion: Production of cement results in As, Pb, Cr and cd contamination of drinking water sources near the factory. Treatment of all drinking water sources is recommended before public use to avert deleterious health consequences.

  12. Optimization of enzymatic esterification of dihydrocaffeic